smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cnc(NC(=O)c2ccc(C#N)c([O-])c2)[n-]1	ZINC001362823677	884726587	/nfs/dbraw/zinc/72/65/87/884726587.db2.gz	ZMSYMACRAUZJCX-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC001362823677	884726607	/nfs/dbraw/zinc/72/66/07/884726607.db2.gz	ZMSYMACRAUZJCX-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000593271871	355841657	/nfs/dbraw/zinc/84/16/57/355841657.db2.gz	HURJGROAPFFFLN-RKDXNWHRSA-N	-2	3	314.388	1.399	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCCC(=O)[O-]	ZINC000274979295	212054986	/nfs/dbraw/zinc/05/49/86/212054986.db2.gz	XNGZDKFFMQBODY-UHFFFAOYSA-N	-2	3	316.766	1.745	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000274976907	408575845	/nfs/dbraw/zinc/57/58/45/408575845.db2.gz	JHRIKSCLQMVZBY-UHFFFAOYSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(F)c1	ZINC000548532532	421448333	/nfs/dbraw/zinc/44/83/33/421448333.db2.gz	ZTJVLAVLDOIMHA-QMMMGPOBSA-N	-2	3	322.264	1.084	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC(=O)[O-]	ZINC000521435014	421787684	/nfs/dbraw/zinc/78/76/84/421787684.db2.gz	KCYHHHVSRZIJGN-UHFFFAOYSA-N	-2	3	305.334	1.141	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000574892764	422206450	/nfs/dbraw/zinc/20/64/50/422206450.db2.gz	MNULGPKRSDYVJO-MRVPVSSYSA-N	-2	3	305.377	1.454	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])s1	ZINC000515052685	268258806	/nfs/dbraw/zinc/25/88/06/268258806.db2.gz	NXKRVVPGFVHYBZ-SNVBAGLBSA-N	-2	3	314.388	1.541	20	30		DDEDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548551435	307775858	/nfs/dbraw/zinc/77/58/58/307775858.db2.gz	JYJYYVWPWQDQGF-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000837291087	707613814	/nfs/dbraw/zinc/61/38/14/707613814.db2.gz	GTLJRIPMXLKTGB-MRVPVSSYSA-N	-2	3	321.786	1.080	20	30		DDEDHL
N#CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195247790	746556080	/nfs/dbraw/zinc/55/60/80/746556080.db2.gz	WINMQDHVDZFHJI-UHFFFAOYSA-N	-2	3	318.301	1.635	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-]	ZINC000593255803	355833498	/nfs/dbraw/zinc/83/34/98/355833498.db2.gz	YXPQRTSYLRPLQE-RXMQYKEDSA-N	-2	3	310.303	1.006	20	30		DDEDHL
C=CCCS(=O)(=O)[N-]c1cc(OC)c(C(=O)[O-])cc1F	ZINC000629326747	422612146	/nfs/dbraw/zinc/61/21/46/422612146.db2.gz	ZTYVKNBFKVMARI-UHFFFAOYSA-N	-2	3	303.311	1.850	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1c(Cl)cccc1OC(F)F	ZINC000814231345	702499952	/nfs/dbraw/zinc/49/99/52/702499952.db2.gz	DMIXRKUXWUCSOK-UHFFFAOYSA-N	-2	3	304.640	1.826	20	30		DDEDHL
C=CCCn1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)nn1	ZINC000849247843	703628176	/nfs/dbraw/zinc/62/81/76/703628176.db2.gz	HIRGSQQVXFFZSC-AATRIKPKSA-N	-2	3	315.333	1.456	20	30		DDEDHL
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)nc3cn[n-]c32)O1	ZINC001233938120	887475858	/nfs/dbraw/zinc/47/58/58/887475858.db2.gz	AHHNKWDXDZULTI-BMIGLBTASA-N	-2	3	304.350	1.927	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1	ZINC000589169845	354967777	/nfs/dbraw/zinc/96/77/77/354967777.db2.gz	MCRPLOGFFRPSRX-AWEZNQCLSA-N	-2	3	320.312	1.296	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1	ZINC000589169845	354967778	/nfs/dbraw/zinc/96/77/78/354967778.db2.gz	MCRPLOGFFRPSRX-AWEZNQCLSA-N	-2	3	320.312	1.296	20	30		DDEDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271586	355841391	/nfs/dbraw/zinc/84/13/91/355841391.db2.gz	KPVPJEQAGAEBFR-MRVPVSSYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326367	163347358	/nfs/dbraw/zinc/34/73/58/163347358.db2.gz	OZTCKENSSOEXSV-UHFFFAOYSA-N	-2	3	316.404	1.789	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287358653	409025466	/nfs/dbraw/zinc/02/54/66/409025466.db2.gz	YBOUZOWRLWXIFJ-ZETCQYMHSA-N	-2	3	324.280	1.408	20	30		DDEDHL
N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[O-]	ZINC000332338762	410078049	/nfs/dbraw/zinc/07/80/49/410078049.db2.gz	QPWQEBCYYXSHMN-LLVKDONJSA-N	-2	3	314.301	1.372	20	30		DDEDHL
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(F)cc1[O-]	ZINC000731154363	699523006	/nfs/dbraw/zinc/52/30/06/699523006.db2.gz	IVJQUZINCRIEQR-UHFFFAOYSA-N	-2	3	302.269	1.113	20	30		DDEDHL
Cc1cc(=O)[n-]c(NN=C2Oc3cc([O-])cc(C)c3C2=O)n1	ZINC000915931831	713435636	/nfs/dbraw/zinc/43/56/36/713435636.db2.gz	IDNXJPSWJTVCHR-UHFFFAOYSA-N	-2	3	300.274	1.505	20	30		DDEDHL
COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CC#N)c1[O-]	ZINC001192980474	745954555	/nfs/dbraw/zinc/95/45/55/745954555.db2.gz	KRMKBKIFCACGNM-UHFFFAOYSA-N	-2	3	304.711	1.097	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sccc1OC	ZINC000514917174	337974140	/nfs/dbraw/zinc/97/41/40/337974140.db2.gz	GNBXIBCAHHTISR-QMMMGPOBSA-N	-2	3	305.377	1.454	20	30		DDEDHL
O=C(C#Cc1ccc(F)cc1F)NCCCCP(=O)([O-])[O-]	ZINC001178573474	779107184	/nfs/dbraw/zinc/10/71/84/779107184.db2.gz	ILAVXASHKOYCGC-UHFFFAOYSA-N	-2	3	317.228	1.390	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000315754563	879165749	/nfs/dbraw/zinc/16/57/49/879165749.db2.gz	AOCXKOBMVCIXNP-QMMMGPOBSA-N	-2	3	304.755	1.433	20	30		DDEDHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2=CC(=O)CCC2)c1	ZINC001260216866	899093826	/nfs/dbraw/zinc/09/38/26/899093826.db2.gz	GLBZBSVQUWGYGR-UHFFFAOYSA-N	-2	3	313.306	1.439	20	30		DDEDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326610	354326871	/nfs/dbraw/zinc/32/68/71/354326871.db2.gz	PHPJJKMFFNELQA-SECBINFHSA-N	-2	3	302.377	1.397	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000261718027	407589908	/nfs/dbraw/zinc/58/99/08/407589908.db2.gz	QQFXMNNNBPPXJG-LLVKDONJSA-N	-2	3	316.766	1.599	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)s1	ZINC000230327012	163347036	/nfs/dbraw/zinc/34/70/36/163347036.db2.gz	SMXVEYUFQJSPHY-LBPRGKRZSA-N	-2	3	322.367	1.724	20	30		DDEDHL
N#CC1(CS(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)CCCC1	ZINC000527199733	421365006	/nfs/dbraw/zinc/36/50/06/421365006.db2.gz	SXUXQNKTBSSJFW-UHFFFAOYSA-N	-2	3	312.347	1.481	20	30		DDEDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000582590662	337110692	/nfs/dbraw/zinc/11/06/92/337110692.db2.gz	UPRBRXGARIDDSO-SNVBAGLBSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C#CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000070246360	602155054	/nfs/dbraw/zinc/15/50/54/602155054.db2.gz	HEGBJABOSPDSGJ-UHFFFAOYSA-N	-2	3	322.136	1.042	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000837293498	707614397	/nfs/dbraw/zinc/61/43/97/707614397.db2.gz	WZCLTLMZAJISTM-QMMMGPOBSA-N	-2	3	304.755	1.433	20	30		DDEDHL
N#Cc1cccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1[O-]	ZINC001193657736	746169048	/nfs/dbraw/zinc/16/90/48/746169048.db2.gz	DBJBBWSBOIXBKO-UHFFFAOYSA-N	-2	3	312.281	1.288	20	30		DDEDHL
CCOc1nnc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)[n-]1	ZINC001363643382	886862925	/nfs/dbraw/zinc/86/29/25/886862925.db2.gz	UUGWRAMYBWPHPJ-UHFFFAOYSA-N	-2	3	320.334	1.150	20	30		DDEDHL
CCOc1nc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[n-]1	ZINC001363643382	886862937	/nfs/dbraw/zinc/86/29/37/886862937.db2.gz	UUGWRAMYBWPHPJ-UHFFFAOYSA-N	-2	3	320.334	1.150	20	30		DDEDHL
CCOc1n[n-]c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n1	ZINC001363643382	886862944	/nfs/dbraw/zinc/86/29/44/886862944.db2.gz	UUGWRAMYBWPHPJ-UHFFFAOYSA-N	-2	3	320.334	1.150	20	30		DDEDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254807	355833753	/nfs/dbraw/zinc/83/37/53/355833753.db2.gz	PFEDWWCNOPYXBR-SECBINFHSA-N	-2	3	302.377	1.397	20	30		DDEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C(=O)[O-]	ZINC000318496060	409879552	/nfs/dbraw/zinc/87/95/52/409879552.db2.gz	SLTNHIJAMHUIBB-UHFFFAOYSA-N	-2	3	321.314	1.031	20	30		DDEDHL
C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-])C1CC1	ZINC000548992381	421489679	/nfs/dbraw/zinc/48/96/79/421489679.db2.gz	XATAADFJAZZKIZ-HQJQHLMTSA-N	-2	3	314.388	1.397	20	30		DDEDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000392978024	337082205	/nfs/dbraw/zinc/08/22/05/337082205.db2.gz	YMSNJQUAUNVIBA-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-]	ZINC000543785847	341058655	/nfs/dbraw/zinc/05/86/55/341058655.db2.gz	CNZDNTZRWLXLHA-SECBINFHSA-N	-2	3	319.741	1.624	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1	ZINC000591831299	355393119	/nfs/dbraw/zinc/39/31/19/355393119.db2.gz	BWAGPTFWQYIBQK-JTQLQIEISA-N	-2	3	314.301	1.372	20	30		DDEDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000297140940	409824823	/nfs/dbraw/zinc/82/48/23/409824823.db2.gz	ICIIELLPBBKGPG-LLVKDONJSA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=C(C)CS(=O)(=O)[N-]c1cc(OC)c(C(=O)[O-])cc1F	ZINC000629326326	422613507	/nfs/dbraw/zinc/61/35/07/422613507.db2.gz	VLWWEEOLJHVBSQ-UHFFFAOYSA-N	-2	3	303.311	1.850	20	30		DDEDHL
C#CCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000229623354	602122451	/nfs/dbraw/zinc/12/24/51/602122451.db2.gz	TWFYEDVPKHKVGW-UHFFFAOYSA-N	-2	3	317.313	1.745	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCNC(=O)[O-]	ZINC000740028127	602227062	/nfs/dbraw/zinc/22/70/62/602227062.db2.gz	GIZXNXMWQOCCQA-UHFFFAOYSA-N	-2	3	321.333	1.409	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1[O-]	ZINC000740233472	603370580	/nfs/dbraw/zinc/37/05/80/603370580.db2.gz	VSUZHMOOEFIEDD-LQBYKTNCSA-N	-2	3	321.377	1.833	20	30		DDEDHL
COC(=O)c1ccc([O-])c(C=N[N-]c2oc(C)nc2C#N)c1	ZINC000726737454	699376173	/nfs/dbraw/zinc/37/61/73/699376173.db2.gz	RMTAASVLVPSPAP-UHFFFAOYSA-N	-2	3	300.274	1.793	20	30		DDEDHL
COC1CCN(S(=O)(=O)[N-]c2cc(C#N)ccc2[O-])CC1	ZINC000849309028	703634164	/nfs/dbraw/zinc/63/41/64/703634164.db2.gz	YQBDZOAYVCACRY-UHFFFAOYSA-N	-2	3	311.363	1.031	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000820543960	704297036	/nfs/dbraw/zinc/29/70/36/704297036.db2.gz	BXWCSRDZJJNHRX-SECBINFHSA-N	-2	3	319.144	1.809	20	30		DDEDHL
C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195249715	746555932	/nfs/dbraw/zinc/55/59/32/746555932.db2.gz	RIYRDVRSFHCYFV-UHFFFAOYSA-N	-2	3	303.286	1.353	20	30		DDEDHL
C#Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC001260399324	899134116	/nfs/dbraw/zinc/13/41/16/899134116.db2.gz	GPNFSIWLPNUUHU-UHFFFAOYSA-N	-2	3	317.322	1.873	20	30		DDEDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326768	354326994	/nfs/dbraw/zinc/32/69/94/354326994.db2.gz	LBGWBLVNJUJDOH-VIFPVBQESA-N	-2	3	302.377	1.397	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1	ZINC000166994991	408816793	/nfs/dbraw/zinc/81/67/93/408816793.db2.gz	BJEPXVFRFBDOBP-UHFFFAOYSA-N	-2	3	314.750	1.355	20	30		DDEDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000535514449	421704886	/nfs/dbraw/zinc/70/48/86/421704886.db2.gz	XNUPMVFXXRGOJT-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000582345076	336935541	/nfs/dbraw/zinc/93/55/41/336935541.db2.gz	PAOKGUSWZGWXRB-VIFPVBQESA-N	-2	3	314.319	1.293	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1	ZINC000822833850	606295737	/nfs/dbraw/zinc/29/57/37/606295737.db2.gz	XPAGNZHPHILTIV-UHFFFAOYSA-N	-2	3	307.273	1.091	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1	ZINC000822833850	606295739	/nfs/dbraw/zinc/29/57/39/606295739.db2.gz	XPAGNZHPHILTIV-UHFFFAOYSA-N	-2	3	307.273	1.091	20	30		DDEDHL
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc([O-])c2)c1	ZINC001193641319	746159132	/nfs/dbraw/zinc/15/91/32/746159132.db2.gz	XDQSAHMWJCEYAC-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
CCOC(=O)C[C@@H](CC#N)Oc1nc2ncnc-2c([S-])[n-]1	ZINC001226781292	882648363	/nfs/dbraw/zinc/64/83/63/882648363.db2.gz	ZXSZFRGKSSUUOI-SSDOTTSWSA-N	-2	3	307.335	1.256	20	30		DDEDHL
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)nc3cn[n-]c32)O1	ZINC001233938122	887475026	/nfs/dbraw/zinc/47/50/26/887475026.db2.gz	AHHNKWDXDZULTI-MEBBXXQBSA-N	-2	3	304.350	1.927	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1[O-]	ZINC001259356482	898627424	/nfs/dbraw/zinc/62/74/24/898627424.db2.gz	DXBFHDFVTIYROV-UHFFFAOYSA-N	-2	3	316.338	2.000	20	30		DDEDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326614	354326967	/nfs/dbraw/zinc/32/69/67/354326967.db2.gz	PHPJJKMFFNELQA-VIFPVBQESA-N	-2	3	302.377	1.397	20	30		DDEDHL
CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256022	355833479	/nfs/dbraw/zinc/83/34/79/355833479.db2.gz	BOFJRLUZKLTUOR-JTQLQIEISA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	ZINC000593254494	355833613	/nfs/dbraw/zinc/83/36/13/355833613.db2.gz	BCTCPHDAZNXKGC-UHFFFAOYSA-N	-2	3	314.388	1.541	20	30		DDEDHL
COCCCO[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000287989238	409127526	/nfs/dbraw/zinc/12/75/26/409127526.db2.gz	ZDFPVUNWQOESRB-UHFFFAOYSA-N	-2	3	307.350	1.293	20	30		DDEDHL
C=C(C)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000567617835	421613212	/nfs/dbraw/zinc/61/32/12/421613212.db2.gz	WNVVRYZLWAQFSI-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000274943906	280254273	/nfs/dbraw/zinc/25/42/73/280254273.db2.gz	FLWVMRILZVMOIG-NSHDSACASA-N	-2	3	314.338	1.332	20	30		DDEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1	ZINC000775675972	698021606	/nfs/dbraw/zinc/02/16/06/698021606.db2.gz	OLEKVQCLVZXTTD-UHFFFAOYSA-N	-2	3	320.326	1.779	20	30		DDEDHL
O=c1nc(NN=Cc2cc(Cl)cc(F)c2[O-])nc2[nH][n-]cc1-2	ZINC000768363163	701171272	/nfs/dbraw/zinc/17/12/72/701171272.db2.gz	WAKZOQJDIKPPCT-UHFFFAOYSA-N	-2	3	322.687	1.376	20	30		DDEDHL
COc1c(Cl)cc(Cl)cc1C=Nn1c(=O)[n-][n-]c1=O	ZINC000814231918	702500052	/nfs/dbraw/zinc/50/00/52/702500052.db2.gz	IITOSNRKCSAENV-UHFFFAOYSA-N	-2	3	303.105	1.887	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126064838	354049930	/nfs/dbraw/zinc/04/99/30/354049930.db2.gz	PMGVYUBTNPFOEM-MRVPVSSYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326651	354326835	/nfs/dbraw/zinc/32/68/35/354326835.db2.gz	NLQFKIZJXNOBPQ-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H](CC[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593262179	355836706	/nfs/dbraw/zinc/83/67/06/355836706.db2.gz	KDMYYTJAKAWJTA-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000593273965	355842191	/nfs/dbraw/zinc/84/21/91/355842191.db2.gz	OXRVCDQQNBWVNP-SSDOTTSWSA-N	-2	3	300.361	1.151	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000594720515	356296402	/nfs/dbraw/zinc/29/64/02/356296402.db2.gz	OMZPCYVVXIEVHK-UHFFFAOYSA-N	-2	3	319.404	1.874	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681578946	486461469	/nfs/dbraw/zinc/46/14/69/486461469.db2.gz	JKXVCUKHTXSXPQ-SECBINFHSA-N	-2	3	301.368	1.231	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	ZINC000571790639	304487797	/nfs/dbraw/zinc/48/77/97/304487797.db2.gz	XCQLCFHRBAFVBZ-GVJMRKKJSA-N	-2	3	314.750	1.353	20	30		DDEDHL
N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000436892514	420382649	/nfs/dbraw/zinc/38/26/49/420382649.db2.gz	KDRPZBHXHPXPQB-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548589082	421451375	/nfs/dbraw/zinc/45/13/75/421451375.db2.gz	BUOOZMNKOKEKOO-QMMMGPOBSA-N	-2	3	300.311	1.229	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000630438150	422105697	/nfs/dbraw/zinc/10/56/97/422105697.db2.gz	MQSJGOWLIMAXFC-VIFPVBQESA-N	-2	3	304.393	1.458	20	30		DDEDHL
CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000399719187	331484406	/nfs/dbraw/zinc/48/44/06/331484406.db2.gz	HQVDPPYIJZUFNX-GZMMTYOYSA-N	-2	3	316.404	1.643	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCN(C)C(=O)[O-]	ZINC000738154409	602659614	/nfs/dbraw/zinc/65/96/14/602659614.db2.gz	SEOVJCSLZBJZTC-UHFFFAOYSA-N	-2	3	321.333	1.361	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC000776587588	698122564	/nfs/dbraw/zinc/12/25/64/698122564.db2.gz	KLVYBAUHCHCPAQ-MRVPVSSYSA-N	-2	3	321.786	1.080	20	30		DDEDHL
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])co1	ZINC000756788387	700640788	/nfs/dbraw/zinc/64/07/88/700640788.db2.gz	LRRXITUSHRSAHO-UHFFFAOYSA-N	-2	3	321.314	1.017	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Cl)c(Br)c1	ZINC000814231109	702499483	/nfs/dbraw/zinc/49/94/83/702499483.db2.gz	MCDPSXTUMQNFDL-UHFFFAOYSA-N	-2	3	317.530	1.987	20	30		DDEDHL
C=CCO[N-]C(=O)[C@@H]1C[C@@]1(C(=O)[N-]OCC=C)c1ccccc1	ZINC000823416575	705236313	/nfs/dbraw/zinc/23/63/13/705236313.db2.gz	RXHWLGOJGSOAAX-WMLDXEAASA-N	-2	3	316.357	1.412	20	30		DDEDHL
O=C1[C@@H](NCc2ncc(Br)cc2[O-])CCCN1[O-]	ZINC000895197339	711450412	/nfs/dbraw/zinc/45/04/12/711450412.db2.gz	QZJAYGSTVXXBKM-QMMMGPOBSA-N	-2	3	316.155	1.020	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1	ZINC001185991285	744318316	/nfs/dbraw/zinc/31/83/16/744318316.db2.gz	PKDRFHOBSOZHMN-UHFFFAOYSA-N	-2	3	314.326	1.941	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126068001	354049908	/nfs/dbraw/zinc/04/99/08/354049908.db2.gz	PNNZOZNJHSBFMO-UHFFFAOYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(=O)[O-])C(C)C	ZINC000592375470	355569605	/nfs/dbraw/zinc/56/96/05/355569605.db2.gz	UXXCCRFWDBKOIF-UHFFFAOYSA-N	-2	3	319.361	1.530	20	30		DDEDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000593274214	355842202	/nfs/dbraw/zinc/84/22/02/355842202.db2.gz	QZAZGJCNNAKFOF-MRVPVSSYSA-N	-2	3	312.322	1.229	20	30		DDEDHL
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn[n-]n2)C1=O	ZINC000298923949	410453620	/nfs/dbraw/zinc/45/36/20/410453620.db2.gz	JJOIENMLUXPRBR-CQSZACIVSA-N	-2	3	322.369	1.121	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000650421469	423153049	/nfs/dbraw/zinc/15/30/49/423153049.db2.gz	IASKGOXLDUWTBB-SNVBAGLBSA-N	-2	3	317.338	1.532	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548536804	307775140	/nfs/dbraw/zinc/77/51/40/307775140.db2.gz	UZGIMBKMUBJBBF-SNVBAGLBSA-N	-2	3	300.311	1.229	20	30		DDEDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000392978020	337082191	/nfs/dbraw/zinc/08/21/91/337082191.db2.gz	YMSNJQUAUNVIBA-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414335748	526860207	/nfs/dbraw/zinc/86/02/07/526860207.db2.gz	JJZKWBHYKPFOGY-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1	ZINC000748003345	700095316	/nfs/dbraw/zinc/09/53/16/700095316.db2.gz	MRTALRVOTCDTOS-UHFFFAOYSA-N	-2	3	307.265	1.400	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000814232394	702500121	/nfs/dbraw/zinc/50/01/21/702500121.db2.gz	UZODCJSAXOXBPF-UHFFFAOYSA-N	-2	3	315.192	1.081	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1ncc2ccccc2c1[O-]	ZINC000854649178	704433666	/nfs/dbraw/zinc/43/36/66/704433666.db2.gz	RRWQHXSZGSDIJQ-LLVKDONJSA-N	-2	3	301.302	1.050	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000315754562	879164671	/nfs/dbraw/zinc/16/46/71/879164671.db2.gz	AOCXKOBMVCIXNP-MRVPVSSYSA-N	-2	3	304.755	1.433	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(Cl)c1	ZINC000126064195	354049926	/nfs/dbraw/zinc/04/99/26/354049926.db2.gz	VUYFSDFLQQHAIQ-UHFFFAOYSA-N	-2	3	316.766	1.745	20	30		DDEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593257093	355834271	/nfs/dbraw/zinc/83/42/71/355834271.db2.gz	RJMHKWILCOROJS-QMMMGPOBSA-N	-2	3	302.377	1.255	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)c2ccc(C#N)c([O-])c2)[n-]1	ZINC000619447806	364015443	/nfs/dbraw/zinc/01/54/43/364015443.db2.gz	PLQJNABLTZYHAM-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)c2ccc(C#N)c([O-])c2)c[n-]1	ZINC000619447806	364015447	/nfs/dbraw/zinc/01/54/47/364015447.db2.gz	PLQJNABLTZYHAM-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
C=C1CCC(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC000724458609	699326885	/nfs/dbraw/zinc/32/68/85/699326885.db2.gz	NQDVTPRVTQSEQF-UHFFFAOYSA-N	-2	3	316.404	1.866	20	30		DDEDHL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])cc1C#N	ZINC001260112032	899062035	/nfs/dbraw/zinc/06/20/35/899062035.db2.gz	YZCAYQZSODFMDL-UHFFFAOYSA-N	-2	3	306.347	1.415	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-]	ZINC000285292002	218368067	/nfs/dbraw/zinc/36/80/67/218368067.db2.gz	XKXMZCPQJSJSRI-NSHDSACASA-N	-2	3	312.322	1.229	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-]	ZINC000276455526	408862040	/nfs/dbraw/zinc/86/20/40/408862040.db2.gz	OAONPVLOVOMLTK-QMMMGPOBSA-N	-2	3	321.807	1.855	20	30		DDEDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000548220642	421412384	/nfs/dbraw/zinc/41/23/84/421412384.db2.gz	GUQDHDQRNYXOKV-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)o1	ZINC000342467531	268207503	/nfs/dbraw/zinc/20/75/03/268207503.db2.gz	WDGRGZNMNZCOOW-UHFFFAOYSA-N	-2	3	316.302	1.132	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)o1	ZINC000342467531	268207505	/nfs/dbraw/zinc/20/75/05/268207505.db2.gz	WDGRGZNMNZCOOW-UHFFFAOYSA-N	-2	3	316.302	1.132	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(CC)s1	ZINC000556714917	331727121	/nfs/dbraw/zinc/72/71/21/331727121.db2.gz	ZSINWFJLXSRWRZ-MRVPVSSYSA-N	-2	3	304.393	1.403	20	30		DDEDHL
C=CCNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000736107123	600142267	/nfs/dbraw/zinc/14/22/67/600142267.db2.gz	SCMFDHPKSNFJTN-UHFFFAOYSA-N	-2	3	312.753	1.234	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Br)cc1F	ZINC000814232016	702500000	/nfs/dbraw/zinc/50/00/00/702500000.db2.gz	KMHADBWENVSOCS-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854648864	704433557	/nfs/dbraw/zinc/43/35/57/704433557.db2.gz	LNZLUYBZMFHMPY-QMMMGPOBSA-N	-2	3	307.331	1.227	20	30		DDEDHL
N#Cc1cccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1[O-]	ZINC001193652794	746166823	/nfs/dbraw/zinc/16/68/23/746166823.db2.gz	OZCVYKZTSHJLHE-UHFFFAOYSA-N	-2	3	322.280	1.871	20	30		DDEDHL
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc([O-])cc1	ZINC001195767237	746691497	/nfs/dbraw/zinc/69/14/97/746691497.db2.gz	HJUZLPRDHPDOMW-UHFFFAOYSA-N	-2	3	306.347	1.842	20	30		DDEDHL
N#Cc1ccccc1C(F)(F)C(=O)[N-]C1(c2nn[n-]n2)CCC1	ZINC001363276994	885889608	/nfs/dbraw/zinc/88/96/08/885889608.db2.gz	IJWAHFHSTXSCQF-UHFFFAOYSA-N	-2	3	318.287	1.359	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](C)C(=O)[O-]	ZINC000133178838	354107411	/nfs/dbraw/zinc/10/74/11/354107411.db2.gz	MZOQBRZCLOEIIS-JGVFFNPUSA-N	-2	3	316.766	1.599	20	30		DDEDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326692	354326738	/nfs/dbraw/zinc/32/67/38/354326738.db2.gz	XUADDFJVDDLQHH-QMMMGPOBSA-N	-2	3	302.377	1.541	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)o1	ZINC000367924782	418658527	/nfs/dbraw/zinc/65/85/27/418658527.db2.gz	BVRLTWZKAVCGRW-UHFFFAOYSA-N	-2	3	316.302	1.132	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)o1	ZINC000367924782	418658529	/nfs/dbraw/zinc/65/85/29/418658529.db2.gz	BVRLTWZKAVCGRW-UHFFFAOYSA-N	-2	3	316.302	1.132	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1	ZINC000548588917	421451968	/nfs/dbraw/zinc/45/19/68/421451968.db2.gz	VQSMEEZOTDTZBS-GFCCVEGCSA-N	-2	3	312.322	1.229	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCCC(=O)[O-]	ZINC000548579226	307777270	/nfs/dbraw/zinc/77/72/70/307777270.db2.gz	PVHDLLVWGQWRTP-UHFFFAOYSA-N	-2	3	316.766	1.745	20	30		DDEDHL
C=CCCS(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-]	ZINC000532125486	335904151	/nfs/dbraw/zinc/90/41/51/335904151.db2.gz	WDMPJFFETUBNOE-UHFFFAOYSA-N	-2	3	315.347	1.720	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\Cc2ccc(C(=O)[O-])cc2)c1[O-]	ZINC000819012341	597165486	/nfs/dbraw/zinc/16/54/86/597165486.db2.gz	GWPLVQCJDPLMAU-IUXPMGMMSA-N	-2	3	300.314	1.905	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1	ZINC000822832636	606600669	/nfs/dbraw/zinc/60/06/69/606600669.db2.gz	DGCINDZAPKFCRA-UHFFFAOYSA-N	-2	3	320.312	1.625	20	30		DDEDHL
C=CCCO[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000856029851	704510267	/nfs/dbraw/zinc/51/02/67/704510267.db2.gz	GGVINYZGZVVTLX-UHFFFAOYSA-N	-2	3	319.386	1.699	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000864449973	706172895	/nfs/dbraw/zinc/17/28/95/706172895.db2.gz	ZFLOAUKJZSAUCQ-QMMMGPOBSA-N	-2	3	304.755	1.433	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000864452386	706173471	/nfs/dbraw/zinc/17/34/71/706173471.db2.gz	PEOIQJKFNOAMMC-NSHDSACASA-N	-2	3	319.329	1.971	20	30		DDEDHL
O=C1[C@H](NCc2ncc(Br)cc2[O-])CCCN1[O-]	ZINC000895197337	711450449	/nfs/dbraw/zinc/45/04/49/711450449.db2.gz	QZJAYGSTVXXBKM-MRVPVSSYSA-N	-2	3	316.155	1.020	20	30		DDEDHL
CSc1nc(=O)[n-]c(C)c1C(=O)[N-]Oc1cccc(C#N)c1	ZINC001171255480	772736802	/nfs/dbraw/zinc/73/68/02/772736802.db2.gz	NAROEYYHGZXHKB-UHFFFAOYSA-N	-2	3	316.342	1.808	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F	ZINC000593271951	355841504	/nfs/dbraw/zinc/84/15/04/355841504.db2.gz	LRJKHULPQFFBKD-LURJTMIESA-N	-2	3	324.330	1.254	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]CCCCCC(=O)[O-]	ZINC000593250846	355832639	/nfs/dbraw/zinc/83/26/39/355832639.db2.gz	FWECYISMPLXNBX-UHFFFAOYSA-N	-2	3	302.377	1.543	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000275081512	212110935	/nfs/dbraw/zinc/11/09/35/212110935.db2.gz	YUIKHEHCVPTEPE-NSHDSACASA-N	-2	3	317.313	1.418	20	30		DDEDHL
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000424594028	228293247	/nfs/dbraw/zinc/29/32/47/228293247.db2.gz	FACLBCYTMPEGDW-IONNQARKSA-N	-2	3	300.361	1.417	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cnc1Cl	ZINC000905991682	712213066	/nfs/dbraw/zinc/21/30/66/712213066.db2.gz	DRVWSJVNTPQZDY-SECBINFHSA-N	-2	3	318.782	1.741	20	30		DDEDHL
C=CCO[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC001183469201	743843847	/nfs/dbraw/zinc/84/38/47/743843847.db2.gz	MAZVZQJZJIRXDJ-UHFFFAOYSA-N	-2	3	305.359	1.309	20	30		DDEDHL
C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195264395	746559624	/nfs/dbraw/zinc/55/96/24/746559624.db2.gz	YEMQSEDGDAELJA-UHFFFAOYSA-N	-2	3	317.313	1.745	20	30		DDEDHL
N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1	ZINC001259221608	898539447	/nfs/dbraw/zinc/53/94/47/898539447.db2.gz	NMMPVBKATMFZEM-UHFFFAOYSA-N	-2	3	318.713	1.512	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1	ZINC000164918685	197665684	/nfs/dbraw/zinc/66/56/84/197665684.db2.gz	FEERSPBLHHAXAH-UHFFFAOYSA-N	-2	3	314.750	1.497	20	30		DDEDHL
CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256023	355833714	/nfs/dbraw/zinc/83/37/14/355833714.db2.gz	BOFJRLUZKLTUOR-SNVBAGLBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1	ZINC000594573610	356253164	/nfs/dbraw/zinc/25/31/64/356253164.db2.gz	ONGVMOLZBQTJPF-VIFPVBQESA-N	-2	3	320.729	1.303	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1	ZINC000594573609	356253442	/nfs/dbraw/zinc/25/34/42/356253442.db2.gz	ONGVMOLZBQTJPF-SECBINFHSA-N	-2	3	320.729	1.303	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sccc1OC	ZINC000514917173	421465589	/nfs/dbraw/zinc/46/55/89/421465589.db2.gz	GNBXIBCAHHTISR-MRVPVSSYSA-N	-2	3	305.377	1.454	20	30		DDEDHL
CC(C)(CCC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000562436330	303861423	/nfs/dbraw/zinc/86/14/23/303861423.db2.gz	QSTYFJKTEKEAMD-UHFFFAOYSA-N	-2	3	316.404	1.789	20	30		DDEDHL
C=CCOCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000313786616	605614984	/nfs/dbraw/zinc/61/49/84/605614984.db2.gz	RKZBDIREVJLJGY-UHFFFAOYSA-N	-2	3	321.301	1.144	20	30		DDEDHL
C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000819733895	606394399	/nfs/dbraw/zinc/39/43/99/606394399.db2.gz	DYFCOYIROJZRIX-UHFFFAOYSA-N	-2	3	321.362	1.028	20	30		DDEDHL
C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000819733895	606394400	/nfs/dbraw/zinc/39/44/00/606394400.db2.gz	DYFCOYIROJZRIX-UHFFFAOYSA-N	-2	3	321.362	1.028	20	30		DDEDHL
Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(Cl)c2[O-])o1	ZINC000822424191	606601064	/nfs/dbraw/zinc/60/10/64/606601064.db2.gz	SWYOBWZAIPLQJO-UHFFFAOYSA-N	-2	3	319.712	1.968	20	30		DDEDHL
Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2[O-])o1	ZINC000822424191	606601065	/nfs/dbraw/zinc/60/10/65/606601065.db2.gz	SWYOBWZAIPLQJO-UHFFFAOYSA-N	-2	3	319.712	1.968	20	30		DDEDHL
Cc1ncc(CO)c(C=NNc2ccccc2C(=O)[O-])c1[O-]	ZINC000812442238	702181930	/nfs/dbraw/zinc/18/19/30/702181930.db2.gz	VZRLVPQTCXORFH-UHFFFAOYSA-N	-2	3	301.302	1.732	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822832967	705053502	/nfs/dbraw/zinc/05/35/02/705053502.db2.gz	KWTRONVASANQQD-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822832967	705053506	/nfs/dbraw/zinc/05/35/06/705053506.db2.gz	KWTRONVASANQQD-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195257235	746558406	/nfs/dbraw/zinc/55/84/06/746558406.db2.gz	CXHKNSWHPNBRQZ-ZETCQYMHSA-N	-2	3	318.301	1.634	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]OCC(C)(C)O	ZINC000278512193	214202805	/nfs/dbraw/zinc/20/28/05/214202805.db2.gz	BOSSNYXSBHYMFL-UHFFFAOYSA-N	-2	3	307.350	1.027	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(Cl)c1	ZINC000594572784	356253184	/nfs/dbraw/zinc/25/31/84/356253184.db2.gz	BKPSEZZCRYRFMQ-SECBINFHSA-N	-2	3	320.729	1.303	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000275079130	212109319	/nfs/dbraw/zinc/10/93/19/212109319.db2.gz	YHVGXOUZTBVKMW-LLVKDONJSA-N	-2	3	303.286	1.110	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000548220643	421412021	/nfs/dbraw/zinc/41/20/21/421412021.db2.gz	GUQDHDQRNYXOKV-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-]	ZINC000668136330	484979989	/nfs/dbraw/zinc/97/99/89/484979989.db2.gz	IYSDQFRNMPTITD-VHSXEESVSA-N	-2	3	313.379	1.088	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(F)ccc1Br	ZINC000814230997	702499265	/nfs/dbraw/zinc/49/92/65/702499265.db2.gz	GUBBCXIIRIZTPV-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
C=CCCC[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000903059114	711019648	/nfs/dbraw/zinc/01/96/48/711019648.db2.gz	MYCNKDGTYGSEIK-SECBINFHSA-N	-2	3	304.393	1.539	20	30		DDEDHL
C[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224980	898538511	/nfs/dbraw/zinc/53/85/11/898538511.db2.gz	VYNQBFZWOLSNPI-RXMQYKEDSA-N	-2	3	306.702	1.368	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000581592659	354735756	/nfs/dbraw/zinc/73/57/56/354735756.db2.gz	WXXAACFDITYXLZ-SNVBAGLBSA-N	-2	3	301.368	1.162	20	30		DDEDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000274971796	212051679	/nfs/dbraw/zinc/05/16/79/212051679.db2.gz	IVFXUHCPXRWDHG-NSHDSACASA-N	-2	3	314.338	1.475	20	30		DDEDHL
CC(C)(C(=O)N=c1ccc([O-])n[n-]1)c1cc(F)cc(C#N)c1	ZINC000343740282	410658903	/nfs/dbraw/zinc/65/89/03/410658903.db2.gz	SJBWWOQDRDCKTP-UHFFFAOYSA-N	-2	3	300.293	2.109	20	30		DDEDHL
CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000399719193	418764384	/nfs/dbraw/zinc/76/43/84/418764384.db2.gz	HQVDPPYIJZUFNX-KWQFWETISA-N	-2	3	316.404	1.643	20	30		DDEDHL
C=CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414347416	527234256	/nfs/dbraw/zinc/23/42/56/527234256.db2.gz	QXQSEYFZDKMTDL-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/CC[C@H]2CCCN(C(=O)[O-])C2)c1[O-]	ZINC000740231403	602624679	/nfs/dbraw/zinc/62/46/79/602624679.db2.gz	IJLKZLINZJZSQA-VQGSWFTOSA-N	-2	3	321.377	1.787	20	30		DDEDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000766047344	701035461	/nfs/dbraw/zinc/03/54/61/701035461.db2.gz	LVBFXPZOWNTFOF-UHFFFAOYSA-N	-2	3	317.326	1.662	20	30		DDEDHL
C=CCCn1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)nn1	ZINC000849247844	703628164	/nfs/dbraw/zinc/62/81/64/703628164.db2.gz	HIRGSQQVXFFZSC-WAYWQWQTSA-N	-2	3	315.333	1.456	20	30		DDEDHL
N#Cc1cccc(NC(=S)NCCCCP(=O)([O-])[O-])c1	ZINC001197733468	747253229	/nfs/dbraw/zinc/25/32/29/747253229.db2.gz	MUKOKNYCVDUEHH-UHFFFAOYSA-N	-2	3	313.319	1.803	20	30		DDEDHL
N#Cc1n[nH]cc1NC(=O)c1cc([O-])c(Br)c([O-])c1	ZINC001148981627	773663663	/nfs/dbraw/zinc/66/36/63/773663663.db2.gz	NVWNTDNEMSAZHT-UHFFFAOYSA-N	-2	3	323.106	1.707	20	30		DDEDHL
N#Cc1ccccc1CN1CC[C@@H](OCCP(=O)([O-])[O-])C1	ZINC001224603433	881466352	/nfs/dbraw/zinc/46/63/52/881466352.db2.gz	YIMWGCKHIYFGKD-CQSZACIVSA-N	-2	3	310.290	1.327	20	30		DDEDHL
C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C(C)(C)O1	ZINC001233940178	887477923	/nfs/dbraw/zinc/47/79/23/887477923.db2.gz	STFBVEZIXCOJPF-BONVTDFDSA-N	-2	3	304.350	1.927	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000578591028	354709801	/nfs/dbraw/zinc/70/98/01/354709801.db2.gz	NYGKWAJJGJKKDQ-NSHDSACASA-N	-2	3	315.395	1.237	20	30		DDEDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593251432	355833260	/nfs/dbraw/zinc/83/32/60/355833260.db2.gz	QUFGIVYRMDADIH-MRVPVSSYSA-N	-2	3	302.377	1.397	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccncc1[O-]	ZINC000109889141	194295211	/nfs/dbraw/zinc/29/52/11/194295211.db2.gz	LBBRUEAHZJNJNN-UHFFFAOYSA-N	-2	3	312.329	1.535	20	30		DDEDHL
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000061890142	184192633	/nfs/dbraw/zinc/19/26/33/184192633.db2.gz	IKIHYQAFSGYUHF-VXNVDRBHSA-N	-2	3	300.361	1.417	20	30		DDEDHL
Cn1ccnc1-c1cc(NC(=O)c2ccc(C#N)c([O-])c2)[nH]n1	ZINC000188700683	222023521	/nfs/dbraw/zinc/02/35/21/222023521.db2.gz	YORXQJTZOICVFF-UHFFFAOYSA-N	-2	3	308.301	1.640	20	30		DDEDHL
Cn1ccnc1-c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[n-]1	ZINC000188700683	222023523	/nfs/dbraw/zinc/02/35/23/222023523.db2.gz	YORXQJTZOICVFF-UHFFFAOYSA-N	-2	3	308.301	1.640	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/Cc2ccc(C(=O)[O-])cc2)c1[O-]	ZINC000819012340	597165285	/nfs/dbraw/zinc/16/52/85/597165285.db2.gz	GWPLVQCJDPLMAU-CAOOACKPSA-N	-2	3	300.314	1.905	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C(C)(C)C(=O)[O-]	ZINC000738228854	600166198	/nfs/dbraw/zinc/16/61/98/600166198.db2.gz	CTSPXIFFWKGUOP-UHFFFAOYSA-N	-2	3	319.361	1.530	20	30		DDEDHL
Cc1oc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000833026468	601218738	/nfs/dbraw/zinc/21/87/38/601218738.db2.gz	DGWQBJIHWHYQTL-UHFFFAOYSA-N	-2	3	320.326	1.636	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000905986961	712210899	/nfs/dbraw/zinc/21/08/99/712210899.db2.gz	FTVBVEAITUUYDW-SECBINFHSA-N	-2	3	318.782	1.741	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC001259849946	898866863	/nfs/dbraw/zinc/86/68/63/898866863.db2.gz	BLWJKUYCHLINIY-UHFFFAOYSA-N	-2	3	318.310	1.793	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1	ZINC000591831457	355392908	/nfs/dbraw/zinc/39/29/08/355392908.db2.gz	WYOCGXVLSQNXSZ-UHFFFAOYSA-N	-2	3	314.301	1.372	20	30		DDEDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000297157067	409829104	/nfs/dbraw/zinc/82/91/04/409829104.db2.gz	JKYHEPHTRPHYOH-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnccc1OCC	ZINC000574759544	332423574	/nfs/dbraw/zinc/42/35/74/332423574.db2.gz	JEILKOLWQXUSSX-SNVBAGLBSA-N	-2	3	314.363	1.178	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000570994117	333477587	/nfs/dbraw/zinc/47/75/87/333477587.db2.gz	HFIDPNYKTAKMCU-SECBINFHSA-N	-2	3	304.393	1.458	20	30		DDEDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000583847449	337341800	/nfs/dbraw/zinc/34/18/00/337341800.db2.gz	VIDUNMFWOHLJIZ-SECBINFHSA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC)c1F	ZINC000656160322	483984870	/nfs/dbraw/zinc/98/48/70/483984870.db2.gz	SSAIJZWPRYHEPS-SECBINFHSA-N	-2	3	317.338	1.532	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\CC[C@H]2CCCN(C(=O)[O-])C2)c1[O-]	ZINC000740230992	602624622	/nfs/dbraw/zinc/62/46/22/602624622.db2.gz	IJLKZLINZJZSQA-DTOZUZIGSA-N	-2	3	321.377	1.787	20	30		DDEDHL
C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])c1ccc(C#N)cc1	ZINC001182798468	743719555	/nfs/dbraw/zinc/71/95/55/743719555.db2.gz	IFKOAZHNFPENEQ-LLVKDONJSA-N	-2	3	310.290	1.736	20	30		DDEDHL
N#Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1[O-]	ZINC001193515303	746131163	/nfs/dbraw/zinc/13/11/63/746131163.db2.gz	MHZVVOYVZXVGHP-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
N=C(c1ccccc1N)N([O-])C(=O)c1cc(Cl)ncc1[O-]	ZINC001196395848	746855321	/nfs/dbraw/zinc/85/53/21/746855321.db2.gz	JWCXYXCNBFPDRO-UHFFFAOYSA-N	-2	3	306.709	1.880	20	30		DDEDHL
N#Cc1c[nH]c2c1cccc2C(=O)NCCCCP(=O)([O-])[O-]	ZINC001157173921	863632791	/nfs/dbraw/zinc/63/27/91/863632791.db2.gz	RPXXTCVCXXQMHX-UHFFFAOYSA-N	-2	3	321.273	1.727	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1[O-]	ZINC001259850232	898866488	/nfs/dbraw/zinc/86/64/88/898866488.db2.gz	UESWCMMBZOTWAH-UHFFFAOYSA-N	-2	3	318.310	1.793	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](C)C(=O)[O-]	ZINC000133271260	354108532	/nfs/dbraw/zinc/10/85/32/354108532.db2.gz	CYFVRZCDUQZTAH-YUMQZZPRSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230325422	354326680	/nfs/dbraw/zinc/32/66/80/354326680.db2.gz	OOXSBEHIIBOYIC-SECBINFHSA-N	-2	3	302.377	1.255	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[n-]1	ZINC000526944173	417193270	/nfs/dbraw/zinc/19/32/70/417193270.db2.gz	YWUQGKCRKZLRTO-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)[n-]n1	ZINC000526944173	417193272	/nfs/dbraw/zinc/19/32/72/417193272.db2.gz	YWUQGKCRKZLRTO-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548228981	421412844	/nfs/dbraw/zinc/41/28/44/421412844.db2.gz	MIIPUQMAPJCUDA-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-]	ZINC000548533545	421447890	/nfs/dbraw/zinc/44/78/90/421447890.db2.gz	JUPFCYBCSZMVCE-QMMMGPOBSA-N	-2	3	322.264	1.084	20	30		DDEDHL
CC(C)(C)OC(=O)Nc1ncccc1C=Nn1c(=O)[n-][n-]c1=O	ZINC000496527103	340007218	/nfs/dbraw/zinc/00/72/18/340007218.db2.gz	NNXWCGYNJLKOGQ-UHFFFAOYSA-N	-2	3	320.309	1.314	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656157545	483983575	/nfs/dbraw/zinc/98/35/75/483983575.db2.gz	PJSCYJXSJZIHCZ-SECBINFHSA-N	-2	3	317.338	1.532	20	30		DDEDHL
C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000414344206	526453884	/nfs/dbraw/zinc/45/38/84/526453884.db2.gz	ZDCFNIFCIXNOLO-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000302519454	527048026	/nfs/dbraw/zinc/04/80/26/527048026.db2.gz	DLAOENXBTWLTAA-UHFFFAOYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000776596525	698124985	/nfs/dbraw/zinc/12/49/85/698124985.db2.gz	GGKFZDHKIKNPDL-NSHDSACASA-N	-2	3	319.329	1.971	20	30		DDEDHL
COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc(OC)c1[O-]	ZINC000763702493	700945713	/nfs/dbraw/zinc/94/57/13/700945713.db2.gz	QFPRSVLAKCQDIK-UHFFFAOYSA-N	-2	3	313.273	1.128	20	30		DDEDHL
CSc1ncc([O-])c(C(=O)Nc2ccc([O-])c(C#N)c2)n1	ZINC001185186590	744174512	/nfs/dbraw/zinc/17/45/12/744174512.db2.gz	QENULOCPDQEGJI-UHFFFAOYSA-N	-2	3	302.315	1.734	20	30		DDEDHL
N#Cc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c([O-])c1	ZINC001195763685	746689745	/nfs/dbraw/zinc/68/97/45/746689745.db2.gz	AZUFDQHCBTXDJR-UHFFFAOYSA-N	-2	3	312.281	1.288	20	30		DDEDHL
C#C[C@@H](COc1cccc(Cl)c1)OCCP(=O)([O-])[O-]	ZINC001224603304	844921659	/nfs/dbraw/zinc/92/16/59/844921659.db2.gz	XQQAZKFWQCGMOS-NSHDSACASA-N	-2	3	304.666	1.915	20	30		DDEDHL
CSCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnn[n-]1	ZINC001362689392	884418797	/nfs/dbraw/zinc/41/87/97/884418797.db2.gz	POKFZQZPPFSMAM-JTQLQIEISA-N	-2	3	318.362	1.001	20	30		DDEDHL
CSCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nn[n-]n1	ZINC001362689392	884418803	/nfs/dbraw/zinc/41/88/03/884418803.db2.gz	POKFZQZPPFSMAM-JTQLQIEISA-N	-2	3	318.362	1.001	20	30		DDEDHL
N#CCCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F	ZINC000578416706	354708529	/nfs/dbraw/zinc/70/85/29/354708529.db2.gz	RJLYRIZRUBHXOT-UHFFFAOYSA-N	-2	3	300.311	1.959	20	30		DDEDHL
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000061890141	184192688	/nfs/dbraw/zinc/19/26/88/184192688.db2.gz	ZDFMCLDTTCMFGH-ONGXEEELSA-N	-2	3	312.322	1.494	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-]	ZINC000629296236	422590490	/nfs/dbraw/zinc/59/04/90/422590490.db2.gz	RDRWGWIMDNMZPV-VIFPVBQESA-N	-2	3	317.313	1.418	20	30		DDEDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548240403	303577445	/nfs/dbraw/zinc/57/74/45/303577445.db2.gz	BIHMSBFTYPHMTH-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
O=c1nc(NN=Cc2cccc([O-])c2Cl)nc2[nH][n-]cc1-2	ZINC000814843173	701757017	/nfs/dbraw/zinc/75/70/17/701757017.db2.gz	NDDJMQXKZWULJX-UHFFFAOYSA-N	-2	3	304.697	1.237	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(F)c(Br)c1	ZINC000814232304	702500094	/nfs/dbraw/zinc/50/00/94/702500094.db2.gz	QILJSUHZGCNOSP-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
C=CCCC[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000903059094	711019805	/nfs/dbraw/zinc/01/98/05/711019805.db2.gz	MMMUWOAPBFXXHK-SECBINFHSA-N	-2	3	318.420	1.793	20	30		DDEDHL
C=CS(=O)(=O)[N-]c1c(C)c([O-])c(C(=O)OCC)cc1C#N	ZINC001198610535	747548286	/nfs/dbraw/zinc/54/82/86/747548286.db2.gz	MFAQONDFLSUUIK-UHFFFAOYSA-N	-2	3	310.331	1.634	20	30		DDEDHL
N#Cc1ccccc1CN1CC[C@H](OCCP(=O)([O-])[O-])C1	ZINC001224603428	881466131	/nfs/dbraw/zinc/46/61/31/881466131.db2.gz	YIMWGCKHIYFGKD-AWEZNQCLSA-N	-2	3	310.290	1.327	20	30		DDEDHL
N#CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223858	898539570	/nfs/dbraw/zinc/53/95/70/898539570.db2.gz	NJRSRDJNLQYIDT-UHFFFAOYSA-N	-2	3	320.729	1.759	20	30		DDEDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593259885	355835586	/nfs/dbraw/zinc/83/55/86/355835586.db2.gz	LGXMKHXOJQUIAD-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326494	407687289	/nfs/dbraw/zinc/68/72/89/407687289.db2.gz	ZGKJBOMHRNVLCU-NSHDSACASA-N	-2	3	302.377	1.399	20	30		DDEDHL
Cc1[n-][nH]c(=NC(=O)c2cc([O-])ccc2C(F)(F)F)c1C#N	ZINC000357223754	409949740	/nfs/dbraw/zinc/94/97/40/409949740.db2.gz	AHBYASFYFXNPKX-UHFFFAOYSA-N	-2	3	310.235	2.567	20	30		DDEDHL
CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130614093	196095200	/nfs/dbraw/zinc/09/52/00/196095200.db2.gz	FOBMUYJMXJGNRD-VIFPVBQESA-N	-2	3	302.739	1.353	20	30		DDEDHL
C=C(CC)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000578991110	332397093	/nfs/dbraw/zinc/39/70/93/332397093.db2.gz	CKGHYNQNRJZDAA-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CC(=NNCCC(=O)[O-])c1ccc([O-])c(CN2CCOCC2)c1	ZINC000819726198	597740686	/nfs/dbraw/zinc/74/06/86/597740686.db2.gz	BASOBUQMPSXMTD-UHFFFAOYSA-N	-2	3	321.377	1.013	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c1[O-]	ZINC000113936040	600153284	/nfs/dbraw/zinc/15/32/84/600153284.db2.gz	LXUKTWZYHRVQQL-VRKJEAOJSA-N	-2	3	314.341	1.703	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2ccc(-c3nnn[n-]3)s2)nc1	ZINC000826462353	608110568	/nfs/dbraw/zinc/11/05/68/608110568.db2.gz	VZUQCBSLDJXGER-UHFFFAOYSA-N	-2	3	315.318	1.467	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(F)cc1Br	ZINC000814231330	702499964	/nfs/dbraw/zinc/49/99/64/702499964.db2.gz	CXFSYPNGLTVEGJ-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC000871994995	707273760	/nfs/dbraw/zinc/27/37/60/707273760.db2.gz	FHVCPIRQRPZBTC-UHFFFAOYSA-N	-2	3	305.377	1.565	20	30		DDEDHL
COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)[C@H](C)C#N)c1[O-]	ZINC001193151744	745997686	/nfs/dbraw/zinc/99/76/86/745997686.db2.gz	SYBDCZFNPRRZCO-ZCFIWIBFSA-N	-2	3	318.738	1.486	20	30		DDEDHL
C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C(C)(C)O1	ZINC001233940183	887477654	/nfs/dbraw/zinc/47/76/54/887477654.db2.gz	STFBVEZIXCOJPF-ZUZCIYMTSA-N	-2	3	304.350	1.927	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(C)c1F	ZINC000556714561	421726478	/nfs/dbraw/zinc/72/64/78/421726478.db2.gz	JEWWTWZQGAJOJA-SNVBAGLBSA-N	-2	3	301.339	1.832	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C)nc1C	ZINC000572838308	421872181	/nfs/dbraw/zinc/87/21/81/421872181.db2.gz	CXQNOEPOPMNMLJ-SECBINFHSA-N	-2	3	304.393	1.458	20	30		DDEDHL
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)o2)ccc1C(=O)[O-]	ZINC000515625157	268076989	/nfs/dbraw/zinc/07/69/89/268076989.db2.gz	QYORCLNUALGUNL-UHFFFAOYSA-N	-2	3	321.314	1.031	20	30		DDEDHL
N#CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000781958424	698665758	/nfs/dbraw/zinc/66/57/58/698665758.db2.gz	NGXIPDOVXQHQHU-UHFFFAOYSA-N	-2	3	323.157	1.884	20	30		DDEDHL
C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000846550993	703295724	/nfs/dbraw/zinc/29/57/24/703295724.db2.gz	PNPIMVDHHXQTCB-SECBINFHSA-N	-2	3	315.333	1.112	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1	ZINC000593259130	355835577	/nfs/dbraw/zinc/83/55/77/355835577.db2.gz	VSNFREWLVVXXSR-JTQLQIEISA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271630	355841713	/nfs/dbraw/zinc/84/17/13/355841713.db2.gz	NVSWYZCWXUXRIU-KCJUWKMLSA-N	-2	3	316.404	1.643	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](CC1CC1)C(=O)[O-]	ZINC000593273250	355842110	/nfs/dbraw/zinc/84/21/10/355842110.db2.gz	SSRRZFOXOJQOBH-SECBINFHSA-N	-2	3	314.388	1.399	20	30		DDEDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000297140943	286830679	/nfs/dbraw/zinc/83/06/79/286830679.db2.gz	ICIIELLPBBKGPG-NSHDSACASA-N	-2	3	314.338	1.619	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548228982	421412903	/nfs/dbraw/zinc/41/29/03/421412903.db2.gz	MIIPUQMAPJCUDA-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000518972032	335755438	/nfs/dbraw/zinc/75/54/38/335755438.db2.gz	HZUQFZOBRHDHPE-ONGXEEELSA-N	-2	3	315.347	1.156	20	30		DDEDHL
N#Cc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nc1	ZINC000739104191	699770901	/nfs/dbraw/zinc/77/09/01/699770901.db2.gz	FFYRQLJDHALKQC-UHFFFAOYSA-N	-2	3	303.303	1.074	20	30		DDEDHL
CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254909	746557708	/nfs/dbraw/zinc/55/77/08/746557708.db2.gz	PEDXWMUKOVANHV-LBPRGKRZSA-N	-2	3	318.301	1.634	20	30		DDEDHL
N#Cc1cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)ccc1[O-]	ZINC001147888302	773270386	/nfs/dbraw/zinc/27/03/86/773270386.db2.gz	YBKLCPKMFFHQSF-UHFFFAOYSA-N	-2	3	320.308	1.995	20	30		DDEDHL
C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130615388	196096212	/nfs/dbraw/zinc/09/62/12/196096212.db2.gz	KJRXTKJIUAYNCW-SSDOTTSWSA-N	-2	3	302.739	1.211	20	30		DDEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccccc2C#N)cc1C(=O)[O-]	ZINC000387138225	418742455	/nfs/dbraw/zinc/74/24/55/418742455.db2.gz	LRHSIHYHGXKWRM-UHFFFAOYSA-N	-2	3	320.326	1.636	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000776597796	698125138	/nfs/dbraw/zinc/12/51/38/698125138.db2.gz	RDAQHAOTLGJRIA-SNVBAGLBSA-N	-2	3	323.292	1.802	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000776596690	698125475	/nfs/dbraw/zinc/12/54/75/698125475.db2.gz	HXVYLQUCWWEGHW-LLVKDONJSA-N	-2	3	319.329	1.971	20	30		DDEDHL
N#Cc1cccc(C(=O)NCCCCP(=O)([O-])[O-])c1F	ZINC001190555219	745250888	/nfs/dbraw/zinc/25/08/88/745250888.db2.gz	SDQOGNOQJXOFBM-UHFFFAOYSA-N	-2	3	300.226	1.385	20	30		DDEDHL
CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195733927	746680104	/nfs/dbraw/zinc/68/01/04/746680104.db2.gz	YOMURWJBMPMVKI-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195733927	746680106	/nfs/dbraw/zinc/68/01/06/746680106.db2.gz	YOMURWJBMPMVKI-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c([O-])c1	ZINC001195764650	746690631	/nfs/dbraw/zinc/69/06/31/746690631.db2.gz	NJVDPWLUPYCVPS-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
N#Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)c([O-])cc1F	ZINC001148586762	773540462	/nfs/dbraw/zinc/54/04/62/773540462.db2.gz	XDDCSRNQPKZGFA-UHFFFAOYSA-N	-2	3	304.233	1.772	20	30		DDEDHL
N#Cc1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1	ZINC001245941106	892280822	/nfs/dbraw/zinc/28/08/22/892280822.db2.gz	JWQOKKGGQZOFOW-UHFFFAOYSA-N	-2	3	313.319	1.803	20	30		DDEDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000593275325	355842853	/nfs/dbraw/zinc/84/28/53/355842853.db2.gz	XGYVOKCGUWGGAY-MRVPVSSYSA-N	-2	3	312.322	1.229	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(Cl)c1	ZINC000594572785	356253246	/nfs/dbraw/zinc/25/32/46/356253246.db2.gz	BKPSEZZCRYRFMQ-VIFPVBQESA-N	-2	3	320.729	1.303	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000261660182	203088393	/nfs/dbraw/zinc/08/83/93/203088393.db2.gz	IYWQADNWSBXKNG-NSHDSACASA-N	-2	3	300.311	1.085	20	30		DDEDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230324361	407688591	/nfs/dbraw/zinc/68/85/91/407688591.db2.gz	SALAUGORYBAIEM-UHFFFAOYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000581107042	308653928	/nfs/dbraw/zinc/65/39/28/308653928.db2.gz	XKIUDJWFFCFHMJ-NSHDSACASA-N	-2	3	314.338	1.475	20	30		DDEDHL
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000748002761	700095357	/nfs/dbraw/zinc/09/53/57/700095357.db2.gz	OWPGFAUMRDSRLB-UHFFFAOYSA-N	-2	3	321.314	1.017	20	30		DDEDHL
C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814815782	701754470	/nfs/dbraw/zinc/75/44/70/701754470.db2.gz	DNROOEVXUHZEQO-FZMZJTMJSA-N	-2	3	324.402	1.983	20	30		DDEDHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000863419820	705924394	/nfs/dbraw/zinc/92/43/94/705924394.db2.gz	DNGVXJZTHOALGU-SSDOTTSWSA-N	-2	3	310.784	1.326	20	30		DDEDHL
C=CCN(CC(=O)[O-])c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1	ZINC000910402986	709925382	/nfs/dbraw/zinc/92/53/82/709925382.db2.gz	WUYDWSQGEBTMNU-UHFFFAOYSA-N	-2	3	314.345	1.884	20	30		DDEDHL
CCOC(=O)c1cnc(NC(=O)c2ccc([O-])c(C#N)c2)[n-]1	ZINC001193499878	746121402	/nfs/dbraw/zinc/12/14/02/746121402.db2.gz	WTNYDDUZTSXTBF-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1c[n-]c(NC(=O)c2ccc([O-])c(C#N)c2)n1	ZINC001193499878	746121408	/nfs/dbraw/zinc/12/14/08/746121408.db2.gz	WTNYDDUZTSXTBF-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](C)C(=O)[O-]	ZINC000133271088	354108728	/nfs/dbraw/zinc/10/87/28/354108728.db2.gz	CYFVRZCDUQZTAH-HTQZYQBOSA-N	-2	3	316.766	1.599	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-]	ZINC000593255811	355833739	/nfs/dbraw/zinc/83/37/39/355833739.db2.gz	YXPQRTSYLRPLQE-YFKPBYRVSA-N	-2	3	310.303	1.006	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	ZINC000619708544	364123316	/nfs/dbraw/zinc/12/33/16/364123316.db2.gz	OQVZGXPNIPQLSP-UHFFFAOYSA-N	-2	3	300.723	1.107	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000630438148	422104331	/nfs/dbraw/zinc/10/43/31/422104331.db2.gz	MQSJGOWLIMAXFC-SECBINFHSA-N	-2	3	304.393	1.458	20	30		DDEDHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000261694838	279003053	/nfs/dbraw/zinc/00/30/53/279003053.db2.gz	NMOXWNGDYFEJJU-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(CC(=O)[O-])nn1	ZINC000759078060	700736296	/nfs/dbraw/zinc/73/62/96/700736296.db2.gz	ZGIOOBWLOPUXNV-FGROQZRYSA-N	-2	3	317.276	1.591	20	30		DDEDHL
C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000840891687	702272817	/nfs/dbraw/zinc/27/28/17/702272817.db2.gz	JXSNFTCDRNNWHG-UHFFFAOYSA-N	-2	3	305.302	1.908	20	30		DDEDHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000863420353	705924894	/nfs/dbraw/zinc/92/48/94/705924894.db2.gz	KEIQQIYXMGQABP-SECBINFHSA-N	-2	3	321.786	1.338	20	30		DDEDHL
COc1nc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)ccc1F	ZINC001190101912	745100527	/nfs/dbraw/zinc/10/05/27/745100527.db2.gz	IMBZIXJIMYOEHP-UHFFFAOYSA-N	-2	3	323.305	1.607	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc1Cl	ZINC001363489148	886472800	/nfs/dbraw/zinc/47/28/00/886472800.db2.gz	ZJKDAZXMRSREMH-UHFFFAOYSA-N	-2	3	304.693	1.343	20	30		DDEDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275014320	212073882	/nfs/dbraw/zinc/07/38/82/212073882.db2.gz	QOFKSSVLDPBHNY-ZDUSSCGKSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000061890139	184192462	/nfs/dbraw/zinc/19/24/62/184192462.db2.gz	ZDFMCLDTTCMFGH-KOLCDFICSA-N	-2	3	312.322	1.494	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160685081	408512453	/nfs/dbraw/zinc/51/24/53/408512453.db2.gz	GSPIENRKLJVCQZ-LLVKDONJSA-N	-2	3	316.766	1.599	20	30		DDEDHL
O=C(NCC#CCNC(=O)c1ccccc1[O-])c1ccccc1[O-]	ZINC000680340027	486152930	/nfs/dbraw/zinc/15/29/30/486152930.db2.gz	SMUVCJQAJLJFJP-UHFFFAOYSA-N	-2	3	324.336	1.261	20	30		DDEDHL
O=c1nc(NN=Cc2ccc([O-])c(Cl)c2)nc2[nH][n-]cc1-2	ZINC000731154913	699523257	/nfs/dbraw/zinc/52/32/57/699523257.db2.gz	JTLYUDCPRZZEHY-UHFFFAOYSA-N	-2	3	304.697	1.237	20	30		DDEDHL
O=c1cn[n-]c(=S)n1N=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814916879	701770628	/nfs/dbraw/zinc/77/06/28/701770628.db2.gz	XQJQRCAOCNJHFV-UHFFFAOYSA-N	-2	3	300.702	1.307	20	30		DDEDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000811696413	702027383	/nfs/dbraw/zinc/02/73/83/702027383.db2.gz	MBRCSJHRFDKHQY-UHFFFAOYSA-N	-2	3	317.326	1.662	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844787674	703073852	/nfs/dbraw/zinc/07/38/52/703073852.db2.gz	XSIAXZDUQGFQJH-VIFPVBQESA-N	-2	3	320.729	1.019	20	30		DDEDHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000863419998	705924370	/nfs/dbraw/zinc/92/43/70/705924370.db2.gz	GQUREPIAMWUFER-MRVPVSSYSA-N	-2	3	308.743	1.166	20	30		DDEDHL
CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195248326	746556073	/nfs/dbraw/zinc/55/60/73/746556073.db2.gz	FWFKGXWRJBFPPM-UTCJRWHESA-N	-2	3	319.285	1.434	20	30		DDEDHL
N#Cc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1[O-]	ZINC001363289093	885922483	/nfs/dbraw/zinc/92/24/83/885922483.db2.gz	KSHJYFKMXGXRGS-UHFFFAOYSA-N	-2	3	322.324	1.793	20	30		DDEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1c(C)ccc(C(=O)OC)c1[O-]	ZINC000416968549	529588316	/nfs/dbraw/zinc/58/83/16/529588316.db2.gz	YREMXCOTFHMKIN-SECBINFHSA-N	-2	3	312.347	1.531	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126097044	354051598	/nfs/dbraw/zinc/05/15/98/354051598.db2.gz	YPRZNTFAEKYLGV-UHFFFAOYSA-N	-2	3	316.766	1.601	20	30		DDEDHL
N#Cc1ccccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000275183446	212179834	/nfs/dbraw/zinc/17/98/34/212179834.db2.gz	DPYVNRBSGBPWAH-QMMMGPOBSA-N	-2	3	322.264	1.242	20	30		DDEDHL
N#Cc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[O-]	ZINC000425325787	420349911	/nfs/dbraw/zinc/34/99/11/420349911.db2.gz	TVACXRDZDUADIK-UHFFFAOYSA-N	-2	3	314.301	1.372	20	30		DDEDHL
N#Cc1cc(NC(=O)c2nn[n-]c2C(F)(F)F)c([O-])cc1F	ZINC001187766307	744607731	/nfs/dbraw/zinc/60/77/31/744607731.db2.gz	PHRCYBMLPVMUBC-UHFFFAOYSA-N	-2	3	315.186	1.792	20	30		DDEDHL
N#Cc1cc(NC(=O)c2[n-]nnc2C(F)(F)F)c([O-])cc1F	ZINC001187766307	744607733	/nfs/dbraw/zinc/60/77/33/744607733.db2.gz	PHRCYBMLPVMUBC-UHFFFAOYSA-N	-2	3	315.186	1.792	20	30		DDEDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593265159	355838599	/nfs/dbraw/zinc/83/85/99/355838599.db2.gz	QFWNKANJEPWJDV-MRVPVSSYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
C=CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600661045	358276481	/nfs/dbraw/zinc/27/64/81/358276481.db2.gz	WAUZIVSHKBOIDT-UHFFFAOYSA-N	-2	3	314.319	1.919	20	30		DDEDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000274971795	212051596	/nfs/dbraw/zinc/05/15/96/212051596.db2.gz	IVFXUHCPXRWDHG-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126027986	407403229	/nfs/dbraw/zinc/40/32/29/407403229.db2.gz	LEFQLIMATIIGPU-LLVKDONJSA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000275125371	408578272	/nfs/dbraw/zinc/57/82/72/408578272.db2.gz	UOSRHBXXKYUARP-UHFFFAOYSA-N	-2	3	312.322	1.878	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000548588786	421450883	/nfs/dbraw/zinc/45/08/83/421450883.db2.gz	WHRGHCUDQPGGGA-GZMMTYOYSA-N	-2	3	310.306	1.005	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H](C)C(=O)[O-]	ZINC000571737810	421739375	/nfs/dbraw/zinc/73/93/75/421739375.db2.gz	IZXATMMDLZXDLI-YUMQZZPRSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000630438609	422104468	/nfs/dbraw/zinc/10/44/68/422104468.db2.gz	TUGBJTGMLUEAAI-QMMMGPOBSA-N	-2	3	305.377	1.454	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)s1	ZINC000399114718	337314032	/nfs/dbraw/zinc/31/40/32/337314032.db2.gz	CVFCNCZDYXITJJ-JTQLQIEISA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC(=O)c1ccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1[O-]	ZINC000412340457	484035638	/nfs/dbraw/zinc/03/56/38/484035638.db2.gz	QWMZHMUBWHEMLA-UHFFFAOYSA-N	-2	3	310.313	1.741	20	30		DDEDHL
O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000816692613	702152203	/nfs/dbraw/zinc/15/22/03/702152203.db2.gz	ROZJYLNHUPPIQZ-LBPRGKRZSA-N	-2	3	320.732	1.919	20	30		DDEDHL
CC[C@@H](NN=Cc1ccc(Br)cc1[O-])C(=O)[O-]	ZINC000853349309	704236057	/nfs/dbraw/zinc/23/60/57/704236057.db2.gz	XNPGDHVGNVZLJW-SECBINFHSA-N	-2	3	301.140	1.941	20	30		DDEDHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000863419821	705924500	/nfs/dbraw/zinc/92/45/00/705924500.db2.gz	DNGVXJZTHOALGU-ZETCQYMHSA-N	-2	3	310.784	1.326	20	30		DDEDHL
COc1cc(C=N[N-]c2oc(C)nc2C#N)c([N+](=O)[O-])cc1[O-]	ZINC000917554204	713503244	/nfs/dbraw/zinc/50/32/44/713503244.db2.gz	GPSIWASVHUWMDQ-UHFFFAOYSA-N	-2	3	317.261	1.923	20	30		DDEDHL
C#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1	ZINC001195258586	746558071	/nfs/dbraw/zinc/55/80/71/746558071.db2.gz	QWOSAOXWTJZLMB-UHFFFAOYSA-N	-2	3	301.270	1.107	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260227827	899100054	/nfs/dbraw/zinc/10/00/54/899100054.db2.gz	ZRONQOVUMBYBRM-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
Cc1oc(C[N-]S(=O)(=O)c2cncc(C#N)c2)cc1C(=O)[O-]	ZINC000319797728	290818474	/nfs/dbraw/zinc/81/84/74/290818474.db2.gz	YMCFNHYQLHCSMN-UHFFFAOYSA-N	-2	3	321.314	1.031	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F	ZINC000593271952	355841777	/nfs/dbraw/zinc/84/17/77/355841777.db2.gz	LRJKHULPQFFBKD-ZCFIWIBFSA-N	-2	3	324.330	1.254	20	30		DDEDHL
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126036138	407403620	/nfs/dbraw/zinc/40/36/20/407403620.db2.gz	FMVYCVXUXPYIMF-SSDOTTSWSA-N	-2	3	302.739	1.353	20	30		DDEDHL
C=C(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000357131713	526689290	/nfs/dbraw/zinc/68/92/90/526689290.db2.gz	QWOOOEOKABCWJE-UHFFFAOYSA-N	-2	3	300.292	1.611	20	30		DDEDHL
Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)cc2[O-])o1	ZINC000735450560	598512261	/nfs/dbraw/zinc/51/22/61/598512261.db2.gz	APTXCOYWAWVCDV-UHFFFAOYSA-N	-2	3	317.284	1.844	20	30		DDEDHL
O=c1nc(NN=Cc2cccc(Cl)c2[O-])nc2[nH][n-]cc1-2	ZINC000753165463	700412101	/nfs/dbraw/zinc/41/21/01/700412101.db2.gz	FHUIPTPSFNCFSQ-UHFFFAOYSA-N	-2	3	304.697	1.237	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C#N)ccc1[O-]	ZINC001227350441	882979110	/nfs/dbraw/zinc/97/91/10/882979110.db2.gz	MXASTYPXAWPBJT-NSHDSACASA-N	-2	3	313.331	1.102	20	30		DDEDHL
C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000163483494	354246899	/nfs/dbraw/zinc/24/68/99/354246899.db2.gz	INGQWCHLHCQAPZ-UHFFFAOYSA-N	-2	3	305.377	1.317	20	30		DDEDHL
CSCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252141	355833266	/nfs/dbraw/zinc/83/32/66/355833266.db2.gz	YIWVZDHQPFGKLA-ZETCQYMHSA-N	-2	3	320.417	1.104	20	30		DDEDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326889	407689343	/nfs/dbraw/zinc/68/93/43/407689343.db2.gz	NLEMHFIYWXUROU-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000548196564	421411198	/nfs/dbraw/zinc/41/11/98/421411198.db2.gz	PPRQXWKFJDNSBD-SSDOTTSWSA-N	-2	3	302.739	1.211	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000570994118	421680424	/nfs/dbraw/zinc/68/04/24/421680424.db2.gz	HFIDPNYKTAKMCU-VIFPVBQESA-N	-2	3	304.393	1.458	20	30		DDEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000274943903	279851808	/nfs/dbraw/zinc/85/18/08/279851808.db2.gz	FLWVMRILZVMOIG-LLVKDONJSA-N	-2	3	314.338	1.332	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000536309158	303358706	/nfs/dbraw/zinc/35/87/06/303358706.db2.gz	DSQVUKVLSOKTLJ-NSHDSACASA-N	-2	3	300.311	1.085	20	30		DDEDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000548551439	307775866	/nfs/dbraw/zinc/77/58/66/307775866.db2.gz	JYJYYVWPWQDQGF-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2ccc([O-])c([N+](=O)[O-])c2)nc1	ZINC000763372087	700935690	/nfs/dbraw/zinc/93/56/90/700935690.db2.gz	RBKVUERVVAEYQX-UHFFFAOYSA-N	-2	3	302.246	1.840	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000848129992	703509954	/nfs/dbraw/zinc/50/99/54/703509954.db2.gz	DLSUWPKGLQPYCC-VIFPVBQESA-N	-2	3	318.251	1.521	20	30		DDEDHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000863420354	705924898	/nfs/dbraw/zinc/92/48/98/705924898.db2.gz	KEIQQIYXMGQABP-VIFPVBQESA-N	-2	3	321.786	1.338	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)C(=O)[O-]	ZINC000926453360	715068972	/nfs/dbraw/zinc/06/89/72/715068972.db2.gz	JNCFWNDFEGRJOL-VIFPVBQESA-N	-2	3	321.301	1.281	20	30		DDEDHL
N#Cc1ccnnc1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1	ZINC001152671734	863485852	/nfs/dbraw/zinc/48/58/52/863485852.db2.gz	TUDHEUDMPDQMND-UHFFFAOYSA-N	-2	3	307.269	1.560	20	30		DDEDHL
N#Cc1c(F)c(F)c([N-][C@@H]2SC(=O)[N-]C2=O)c(F)c1F	ZINC001163672633	868616949	/nfs/dbraw/zinc/61/69/49/868616949.db2.gz	PAQOTQXCVVOFLE-SECBINFHSA-N	-2	3	305.212	1.836	20	30		DDEDHL
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126054383	354049834	/nfs/dbraw/zinc/04/98/34/354049834.db2.gz	DLJFURORTCMUPU-SSDOTTSWSA-N	-2	3	302.739	1.211	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000262639077	203361025	/nfs/dbraw/zinc/36/10/25/203361025.db2.gz	GXFWBKUBQXOVKR-SNVBAGLBSA-N	-2	3	300.311	1.229	20	30		DDEDHL
N#CCCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000274888633	408564512	/nfs/dbraw/zinc/56/45/12/408564512.db2.gz	FLROPUBNWUPEJF-UHFFFAOYSA-N	-2	3	300.311	1.959	20	30		DDEDHL
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cn[n-]c1-c1ccccn1	ZINC000356495958	411057084	/nfs/dbraw/zinc/05/70/84/411057084.db2.gz	DJGLENUXWBWQMW-UHFFFAOYSA-N	-2	3	319.328	2.196	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000579425825	308529574	/nfs/dbraw/zinc/52/95/74/308529574.db2.gz	SFPLPFVWDBSZCX-UHFFFAOYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000682895974	485817321	/nfs/dbraw/zinc/81/73/21/485817321.db2.gz	FHFPGOKRKUFUTK-MRVPVSSYSA-N	-2	3	324.280	1.408	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)ccc1[O-]	ZINC001185991302	744318590	/nfs/dbraw/zinc/31/85/90/744318590.db2.gz	PWAMSPPNDZXRMU-UHFFFAOYSA-N	-2	3	314.326	1.941	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190184015	745143242	/nfs/dbraw/zinc/14/32/42/745143242.db2.gz	NACHYERGFVKRSD-UHFFFAOYSA-N	-2	3	311.269	1.738	20	30		DDEDHL
N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3nnn[n-]3)c2)c1	ZINC001196321046	746831864	/nfs/dbraw/zinc/83/18/64/746831864.db2.gz	UDXGUAOXDTYZPA-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3nn[n-]n3)c2)c1	ZINC001196321046	746831871	/nfs/dbraw/zinc/83/18/71/746831871.db2.gz	UDXGUAOXDTYZPA-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc2ccsc2[n-]1	ZINC001234846347	888224087	/nfs/dbraw/zinc/22/40/87/888224087.db2.gz	BFHUGROTPPNQBN-QMMMGPOBSA-N	-2	3	318.376	1.462	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc2sccc2[n-]1	ZINC001234846347	888224099	/nfs/dbraw/zinc/22/40/99/888224099.db2.gz	BFHUGROTPPNQBN-QMMMGPOBSA-N	-2	3	318.376	1.462	20	30		DDEDHL
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126037199	354049921	/nfs/dbraw/zinc/04/99/21/354049921.db2.gz	CAYCNUNKMASPNO-VIFPVBQESA-N	-2	3	302.739	1.353	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000566916190	304188132	/nfs/dbraw/zinc/18/81/32/304188132.db2.gz	WEKLJHHNWXYWAY-LLVKDONJSA-N	-2	3	317.345	1.141	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1	ZINC000548588918	421452010	/nfs/dbraw/zinc/45/20/10/421452010.db2.gz	VQSMEEZOTDTZBS-LBPRGKRZSA-N	-2	3	312.322	1.229	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)CC1	ZINC000569308866	421625883	/nfs/dbraw/zinc/62/58/83/421625883.db2.gz	QVVNKWCBTIIURT-UHFFFAOYSA-N	-2	3	312.322	1.959	20	30		DDEDHL
C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000555859164	421694365	/nfs/dbraw/zinc/69/43/65/421694365.db2.gz	RQLNSANUZLSOSJ-QMMMGPOBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1	ZINC000776347815	698097332	/nfs/dbraw/zinc/09/73/32/698097332.db2.gz	GYIRXDDTLZEGCN-UHFFFAOYSA-N	-2	3	300.230	1.525	20	30		DDEDHL
N#CC[C@H]([N-]S(=O)(=O)c1cc([O-])cc(F)c1)C(F)(F)F	ZINC000901772080	768618713	/nfs/dbraw/zinc/61/87/13/768618713.db2.gz	PISOCSYRDXIYMT-VIFPVBQESA-N	-2	3	312.244	1.654	20	30		DDEDHL
CC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224721	898539286	/nfs/dbraw/zinc/53/92/86/898539286.db2.gz	OCSFQWRYVNMHBQ-ZCFIWIBFSA-N	-2	3	320.729	1.758	20	30		DDEDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324084	354326959	/nfs/dbraw/zinc/32/69/59/354326959.db2.gz	LBGWBLVNJUJDOH-SECBINFHSA-N	-2	3	302.377	1.397	20	30		DDEDHL
CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)C(=O)[O-]	ZINC000595283821	356432966	/nfs/dbraw/zinc/43/29/66/356432966.db2.gz	XGBWOUINQJRBNG-NSHDSACASA-N	-2	3	319.361	1.530	20	30		DDEDHL
C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(CC(=O)[O-])nn1	ZINC000759078065	700736166	/nfs/dbraw/zinc/73/61/66/700736166.db2.gz	ZGIOOBWLOPUXNV-WDTYERQASA-N	-2	3	317.276	1.591	20	30		DDEDHL
C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000840895793	702273283	/nfs/dbraw/zinc/27/32/83/702273283.db2.gz	WWNAKDMMOASDFR-UHFFFAOYSA-N	-2	3	305.302	1.908	20	30		DDEDHL
C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254551	746557682	/nfs/dbraw/zinc/55/76/82/746557682.db2.gz	MVDCTSZEASWQAD-CYBMUJFWSA-N	-2	3	317.313	1.743	20	30		DDEDHL
N#Cc1ccc(NC(=O)c2cnc3cccnc3c2[O-])c([O-])c1	ZINC001153858470	864166591	/nfs/dbraw/zinc/16/65/91/864166591.db2.gz	XAKSCVOFUWYIPT-UHFFFAOYSA-N	-2	3	306.281	1.753	20	30		DDEDHL
CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)CC)c(C)c1[O-]	ZINC001253355667	895797391	/nfs/dbraw/zinc/79/73/91/895797391.db2.gz	UEOJLXRTXSJBDL-UHFFFAOYSA-N	-2	3	312.347	1.511	20	30		DDEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000092181932	193171439	/nfs/dbraw/zinc/17/14/39/193171439.db2.gz	JXXNAAHUGMIIPH-BDAKNGLRSA-N	-2	3	310.306	1.005	20	30		DDEDHL
N#Cc1ccccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-]	ZINC000275183442	212181026	/nfs/dbraw/zinc/18/10/26/212181026.db2.gz	DPYVNRBSGBPWAH-MRVPVSSYSA-N	-2	3	322.264	1.242	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000650421468	423153329	/nfs/dbraw/zinc/15/33/29/423153329.db2.gz	IASKGOXLDUWTBB-JTQLQIEISA-N	-2	3	317.338	1.532	20	30		DDEDHL
CSc1nc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)n[n-]1	ZINC000564973212	421595497	/nfs/dbraw/zinc/59/54/97/421595497.db2.gz	VXUFRMDVHJOTNP-UHFFFAOYSA-N	-2	3	323.403	1.535	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H](C)C(=O)[O-]	ZINC000518110655	421639365	/nfs/dbraw/zinc/63/93/65/421639365.db2.gz	PVKQCKZVDJRNPM-HTQZYQBOSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000559602919	421836079	/nfs/dbraw/zinc/83/60/79/421836079.db2.gz	OSFPLTQIKBMZFN-SECBINFHSA-N	-2	3	316.404	1.932	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000569879266	308152609	/nfs/dbraw/zinc/15/26/09/308152609.db2.gz	KGSHYWBGWWULTM-UHFFFAOYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224240	898540089	/nfs/dbraw/zinc/54/00/89/898540089.db2.gz	XBIOFCNFJLHCAR-LURJTMIESA-N	-2	3	323.729	1.003	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261483	355836802	/nfs/dbraw/zinc/83/68/02/355836802.db2.gz	YVWQVBOOBXEUQS-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126039751	407403521	/nfs/dbraw/zinc/40/35/21/407403521.db2.gz	XBULLXKKHUXFCC-SNVBAGLBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=C(CC)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000521051837	421772010	/nfs/dbraw/zinc/77/20/10/421772010.db2.gz	HZEOYKRZUGTHBT-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000315796092	340676787	/nfs/dbraw/zinc/67/67/87/340676787.db2.gz	PAOFOKGAGGEHSF-UHFFFAOYSA-N	-2	3	302.377	1.664	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-]	ZINC000543785848	341058686	/nfs/dbraw/zinc/05/86/86/341058686.db2.gz	CNZDNTZRWLXLHA-VIFPVBQESA-N	-2	3	319.741	1.624	20	30		DDEDHL
N#CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000054137529	605405998	/nfs/dbraw/zinc/40/59/98/605405998.db2.gz	CYTUEQQTEJHQTE-UHFFFAOYSA-N	-2	3	304.274	1.245	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2sccc2-c2nnn[n-]2)c1	ZINC000826386256	607998172	/nfs/dbraw/zinc/99/81/72/607998172.db2.gz	WGVJCPQRAXJOKI-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2sccc2-c2nn[n-]n2)c1	ZINC000826386256	607998173	/nfs/dbraw/zinc/99/81/73/607998173.db2.gz	WGVJCPQRAXJOKI-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(-c2nnn[n-]2)s1	ZINC000823963117	608091839	/nfs/dbraw/zinc/09/18/39/608091839.db2.gz	VVGQPXMJAFIULV-UHFFFAOYSA-N	-2	3	316.350	1.568	20	30		DDEDHL
C=C(C)CO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846535649	703292993	/nfs/dbraw/zinc/29/29/93/703292993.db2.gz	INPZSYCUBDWHAI-CYBMUJFWSA-N	-2	3	304.346	1.621	20	30		DDEDHL
N#Cc1cc(F)c(C(=O)NCCCCP(=O)([O-])[O-])c(F)c1	ZINC001191943887	745652650	/nfs/dbraw/zinc/65/26/50/745652650.db2.gz	VLXNKHCTDBNVQR-UHFFFAOYSA-N	-2	3	318.216	1.524	20	30		DDEDHL
CC(C)(CCC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593261515	355836354	/nfs/dbraw/zinc/83/63/54/355836354.db2.gz	ZZJCZMRSXUVZGB-UHFFFAOYSA-N	-2	3	316.404	1.789	20	30		DDEDHL
C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261253	355836653	/nfs/dbraw/zinc/83/66/53/355836653.db2.gz	FKZDIKVCLVEAOL-CMPLNLGQSA-N	-2	3	314.388	1.541	20	30		DDEDHL
CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271631	355841284	/nfs/dbraw/zinc/84/12/84/355841284.db2.gz	NVSWYZCWXUXRIU-KWQFWETISA-N	-2	3	316.404	1.643	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-]	ZINC000275037379	212087500	/nfs/dbraw/zinc/08/75/00/212087500.db2.gz	QRQLNOLYIMNHOZ-NSHDSACASA-N	-2	3	319.741	1.624	20	30		DDEDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230323503	407687914	/nfs/dbraw/zinc/68/79/14/407687914.db2.gz	NOKCBIXOBAPHQQ-SECBINFHSA-N	-2	3	302.377	1.541	20	30		DDEDHL
C=CCCCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000575762380	422324604	/nfs/dbraw/zinc/32/46/04/422324604.db2.gz	RTHSHPDLVBSNLJ-UHFFFAOYSA-N	-2	3	304.393	1.866	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	ZINC000558590658	307892338	/nfs/dbraw/zinc/89/23/38/307892338.db2.gz	VUXUYFOAIVYTCO-UHFFFAOYSA-N	-2	3	300.723	1.107	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)cccc1F	ZINC000562651925	332612558	/nfs/dbraw/zinc/61/25/58/332612558.db2.gz	VGVNPTWELFGJFO-JTQLQIEISA-N	-2	3	301.339	1.832	20	30		DDEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000416950072	529270979	/nfs/dbraw/zinc/27/09/79/529270979.db2.gz	HPNGFNLUXMVLGW-LBPRGKRZSA-N	-2	3	312.347	1.584	20	30		DDEDHL
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc([O-])c(Cl)c1	ZINC000768777584	701201704	/nfs/dbraw/zinc/20/17/04/701201704.db2.gz	NKFIINBSIIDMEI-UHFFFAOYSA-N	-2	3	318.724	1.627	20	30		DDEDHL
C=CCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000856034228	704510561	/nfs/dbraw/zinc/51/05/61/704510561.db2.gz	JESFOXSREWFAQM-ZDUSSCGKSA-N	-2	3	304.346	1.621	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000864449972	706172976	/nfs/dbraw/zinc/17/29/76/706172976.db2.gz	ZFLOAUKJZSAUCQ-MRVPVSSYSA-N	-2	3	304.755	1.433	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)[n-]n1	ZINC001184242109	743999835	/nfs/dbraw/zinc/99/98/35/743999835.db2.gz	YSCIVHZLJORZRW-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)n[n-]1	ZINC001184242109	743999836	/nfs/dbraw/zinc/99/98/36/743999836.db2.gz	YSCIVHZLJORZRW-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
N#CC[C@@H]([N-]S(=O)(=O)c1cc([O-])cc(F)c1)C(F)(F)F	ZINC000901772075	768618277	/nfs/dbraw/zinc/61/82/77/768618277.db2.gz	PISOCSYRDXIYMT-SECBINFHSA-N	-2	3	312.244	1.654	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000316021970	879248964	/nfs/dbraw/zinc/24/89/64/879248964.db2.gz	JEGFTBPNTSOBEY-JTQLQIEISA-N	-2	3	305.302	1.663	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1	ZINC000160692523	290775152	/nfs/dbraw/zinc/77/51/52/290775152.db2.gz	SFHKQPBUDJSFOU-NSHDSACASA-N	-2	3	314.750	1.353	20	30		DDEDHL
N#CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000362330909	354623139	/nfs/dbraw/zinc/62/31/39/354623139.db2.gz	WJFNBBHDVMYLAH-UHFFFAOYSA-N	-2	3	300.361	1.418	20	30		DDEDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccsc2C#N)CC1	ZINC000593273308	355842091	/nfs/dbraw/zinc/84/20/91/355842091.db2.gz	GUBRLGXPMBCTFU-ZETCQYMHSA-N	-2	3	300.361	1.151	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594460059	356224791	/nfs/dbraw/zinc/22/47/91/356224791.db2.gz	KWNBVSZFVOOWCB-MRVPVSSYSA-N	-2	3	305.334	1.045	20	30		DDEDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C#N)c2)c[n-]1	ZINC000618906739	363792668	/nfs/dbraw/zinc/79/26/68/363792668.db2.gz	VUEWNHKUSDBZJL-UHFFFAOYSA-N	-2	3	320.330	1.259	20	30		DDEDHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)[n-]1	ZINC000618906739	363792672	/nfs/dbraw/zinc/79/26/72/363792672.db2.gz	VUEWNHKUSDBZJL-UHFFFAOYSA-N	-2	3	320.330	1.259	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126039510	195804635	/nfs/dbraw/zinc/80/46/35/195804635.db2.gz	XBULLXKKHUXFCC-JTQLQIEISA-N	-2	3	316.766	1.743	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000262667150	407895215	/nfs/dbraw/zinc/89/52/15/407895215.db2.gz	NUMIVQCLLWFGPO-SNVBAGLBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=CCN=c1[n-]nc(SCC(=O)Nc2ccccc2[O-])s1	ZINC000358926325	410539908	/nfs/dbraw/zinc/53/99/08/410539908.db2.gz	PQWPHQVOZCWLAB-UHFFFAOYSA-N	-2	3	322.415	2.572	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[O-]	ZINC000442656126	420694941	/nfs/dbraw/zinc/69/49/41/420694941.db2.gz	RFHPTOZKSVPHPY-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[O-]	ZINC000442656126	420694945	/nfs/dbraw/zinc/69/49/45/420694945.db2.gz	RFHPTOZKSVPHPY-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000399719196	331484430	/nfs/dbraw/zinc/48/44/30/331484430.db2.gz	HQVDPPYIJZUFNX-LDYMZIIASA-N	-2	3	316.404	1.643	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000776597794	698125503	/nfs/dbraw/zinc/12/55/03/698125503.db2.gz	RDAQHAOTLGJRIA-JTQLQIEISA-N	-2	3	323.292	1.802	20	30		DDEDHL
CC(C)(C)OC(=O)c1ccc(C=Nn2c(=O)[n-][n-]c2=O)s1	ZINC000863115713	705862958	/nfs/dbraw/zinc/86/29/58/705862958.db2.gz	WEHGJPYCAFCGMD-UHFFFAOYSA-N	-2	3	310.335	1.588	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)s1	ZINC000230323373	354326417	/nfs/dbraw/zinc/32/64/17/354326417.db2.gz	LFUDGAPDKOIWOE-UHFFFAOYSA-N	-2	3	300.361	1.295	20	30		DDEDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326653	354327021	/nfs/dbraw/zinc/32/70/21/354327021.db2.gz	NLQFKIZJXNOBPQ-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254670	355833822	/nfs/dbraw/zinc/83/38/22/355833822.db2.gz	UOEINCZUVIJDGI-XVKPBYJWSA-N	-2	3	302.377	1.397	20	30		DDEDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593251433	355833041	/nfs/dbraw/zinc/83/30/41/355833041.db2.gz	QUFGIVYRMDADIH-QMMMGPOBSA-N	-2	3	302.377	1.397	20	30		DDEDHL
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000340448285	410851929	/nfs/dbraw/zinc/85/19/29/410851929.db2.gz	KFABXZYENAYXFH-ZETCQYMHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-])C1CC1	ZINC000548992382	421489923	/nfs/dbraw/zinc/48/99/23/421489923.db2.gz	XATAADFJAZZKIZ-RDDDGLTNSA-N	-2	3	314.388	1.397	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000547932058	303561264	/nfs/dbraw/zinc/56/12/64/303561264.db2.gz	USQXRODRBFZYBE-MRVPVSSYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC000573445445	308240307	/nfs/dbraw/zinc/24/03/07/308240307.db2.gz	LOKGRMKEMFJZBJ-GFCCVEGCSA-N	-2	3	305.334	1.188	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1[O-]	ZINC000740233473	603370433	/nfs/dbraw/zinc/37/04/33/603370433.db2.gz	VSUZHMOOEFIEDD-ZSOIZAAGSA-N	-2	3	321.377	1.833	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260189756	899081286	/nfs/dbraw/zinc/08/12/86/899081286.db2.gz	CCDCFHGJRNYGJD-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261482	355836429	/nfs/dbraw/zinc/83/64/29/355836429.db2.gz	YVWQVBOOBXEUQS-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274895115	212016926	/nfs/dbraw/zinc/01/69/26/212016926.db2.gz	GXSCJZLCUHNXFG-VIFPVBQESA-N	-2	3	302.739	1.353	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1F	ZINC000291878676	408937822	/nfs/dbraw/zinc/93/78/22/408937822.db2.gz	MRUUDJPFISKFSA-VIFPVBQESA-N	-2	3	322.264	1.084	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(F)c1	ZINC000527490699	268257170	/nfs/dbraw/zinc/25/71/70/268257170.db2.gz	XIQRBYKKQMVOBP-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000315898009	340677387	/nfs/dbraw/zinc/67/73/87/340677387.db2.gz	CQHHZSSUIIIFGC-UHFFFAOYSA-N	-2	3	314.338	1.742	20	30		DDEDHL
N#Cc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1[O-]	ZINC001193647131	746165979	/nfs/dbraw/zinc/16/59/79/746165979.db2.gz	WJDIHCPEQVQISQ-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1[O-]	ZINC001193647131	746165980	/nfs/dbraw/zinc/16/59/80/746165980.db2.gz	WJDIHCPEQVQISQ-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000133179414	354107698	/nfs/dbraw/zinc/10/76/98/354107698.db2.gz	MZOQBRZCLOEIIS-SFYZADRCSA-N	-2	3	316.766	1.599	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-]	ZINC000593272314	355841308	/nfs/dbraw/zinc/84/13/08/355841308.db2.gz	AEPKVERJOCBRGY-SECBINFHSA-N	-2	3	314.388	1.541	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-]	ZINC000287697522	409078693	/nfs/dbraw/zinc/07/86/93/409078693.db2.gz	XKXMZCPQJSJSRI-LLVKDONJSA-N	-2	3	312.322	1.229	20	30		DDEDHL
COc1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n[n-]1	ZINC000447548542	420780486	/nfs/dbraw/zinc/78/04/86/420780486.db2.gz	IIVZKGBZGNBCQA-UHFFFAOYSA-N	-2	3	310.273	1.592	20	30		DDEDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548554542	421449355	/nfs/dbraw/zinc/44/93/55/421449355.db2.gz	QRDUPDOOYFMYER-SECBINFHSA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)c(F)c1F	ZINC000629305112	422596641	/nfs/dbraw/zinc/59/66/41/422596641.db2.gz	WZUCTNINDGIXBX-SECBINFHSA-N	-2	3	319.329	1.971	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCCCC(=O)[O-]	ZINC000270423085	267995300	/nfs/dbraw/zinc/99/53/00/267995300.db2.gz	GHEKWCNFQMVGTM-UHFFFAOYSA-N	-2	3	314.338	1.621	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000583009191	337228516	/nfs/dbraw/zinc/22/85/16/337228516.db2.gz	VHKDHNOAVIWKEP-NSHDSACASA-N	-2	3	315.395	1.237	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681578947	486461573	/nfs/dbraw/zinc/46/15/73/486461573.db2.gz	JKXVCUKHTXSXPQ-VIFPVBQESA-N	-2	3	301.368	1.231	20	30		DDEDHL
O=C(CCC(=O)C1=CC=C[CH]1)NCc1cccc(-c2nnn[n-]2)c1	ZINC001184246482	744000929	/nfs/dbraw/zinc/00/09/29/744000929.db2.gz	VDJZXBJBTUWCKT-UHFFFAOYSA-N	-2	3	322.348	1.533	20	30		DDEDHL
O=C(CCC(=O)C1=CC=C[CH]1)NCc1cccc(-c2nn[n-]n2)c1	ZINC001184246482	744000932	/nfs/dbraw/zinc/00/09/32/744000932.db2.gz	VDJZXBJBTUWCKT-UHFFFAOYSA-N	-2	3	322.348	1.533	20	30		DDEDHL
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1	ZINC001193058820	745975561	/nfs/dbraw/zinc/97/55/61/745975561.db2.gz	KZNKAZJJNQNUBM-UHFFFAOYSA-N	-2	3	312.347	1.347	20	30		DDEDHL
C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195260051	746558838	/nfs/dbraw/zinc/55/88/38/746558838.db2.gz	RSIRNULXAJMCME-LURJTMIESA-N	-2	3	304.274	1.243	20	30		DDEDHL
N#Cc1cccc(S(=O)(=O)[N-]c2cc([O-])cc(C(N)=O)c2)c1	ZINC001259126048	898482574	/nfs/dbraw/zinc/48/25/74/898482574.db2.gz	IIOOTGWZYSWRQS-UHFFFAOYSA-N	-2	3	317.326	1.164	20	30		DDEDHL
C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593270307	355840723	/nfs/dbraw/zinc/84/07/23/355840723.db2.gz	OTMXMOYOMHZEHB-QMMMGPOBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#CCCCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000274978899	222495899	/nfs/dbraw/zinc/49/58/99/222495899.db2.gz	JMLYXMVYYDDORN-UHFFFAOYSA-N	-2	3	313.291	1.338	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(CC)s1	ZINC000556714918	421726411	/nfs/dbraw/zinc/72/64/11/421726411.db2.gz	ZSINWFJLXSRWRZ-QMMMGPOBSA-N	-2	3	304.393	1.403	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C)nc1C	ZINC000572838309	421872211	/nfs/dbraw/zinc/87/22/11/421872211.db2.gz	CXQNOEPOPMNMLJ-VIFPVBQESA-N	-2	3	304.393	1.458	20	30		DDEDHL
C=CC(C)(C)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000629332407	422615387	/nfs/dbraw/zinc/61/53/87/422615387.db2.gz	GIIRTOVFOXADNS-UHFFFAOYSA-N	-2	3	304.393	1.722	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159593209	277889245	/nfs/dbraw/zinc/88/92/45/277889245.db2.gz	DDDCOMWJAPZLGH-VIFPVBQESA-N	-2	3	314.319	1.211	20	30		DDEDHL
N#CCN(CC(=O)[O-])Cc1nc2c3ccccc3oc2c(=O)[n-]1	ZINC000833067755	601003747	/nfs/dbraw/zinc/00/37/47/601003747.db2.gz	XPFDFRBZPNALTQ-UHFFFAOYSA-N	-2	3	312.285	1.492	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC000776587593	698122560	/nfs/dbraw/zinc/12/25/60/698122560.db2.gz	KLVYBAUHCHCPAQ-QMMMGPOBSA-N	-2	3	321.786	1.080	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)c2cccc(C#N)c2[O-])[n-]1	ZINC001193642936	746159744	/nfs/dbraw/zinc/15/97/44/746159744.db2.gz	TXQAFNCTCBGXKT-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)c2cccc(C#N)c2[O-])c[n-]1	ZINC001193642936	746159746	/nfs/dbraw/zinc/15/97/46/746159746.db2.gz	TXQAFNCTCBGXKT-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCc1cc(C(=O)NCCCCP(=O)([O-])[O-])ccc1C#N	ZINC001197293364	747131576	/nfs/dbraw/zinc/13/15/76/747131576.db2.gz	BAPNQMJFMWWZHW-UHFFFAOYSA-N	-2	3	310.290	1.808	20	30		DDEDHL
CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271632	355841570	/nfs/dbraw/zinc/84/15/70/355841570.db2.gz	NVSWYZCWXUXRIU-LDYMZIIASA-N	-2	3	316.404	1.643	20	30		DDEDHL
N#Cc1nc(NC(=O)c2cnc3ccccc3c2[O-])[n-]c1C#N	ZINC000065054690	184309557	/nfs/dbraw/zinc/30/95/57/184309557.db2.gz	ZWAGKEUOPKJZMX-UHFFFAOYSA-N	-2	3	304.269	1.247	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000548588789	421450781	/nfs/dbraw/zinc/45/07/81/421450781.db2.gz	WHRGHCUDQPGGGA-LDYMZIIASA-N	-2	3	310.306	1.005	20	30		DDEDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000562651868	421391973	/nfs/dbraw/zinc/39/19/73/421391973.db2.gz	UVCMZZIZYIHYER-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C=C(C)CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846535650	703292984	/nfs/dbraw/zinc/29/29/84/703292984.db2.gz	INPZSYCUBDWHAI-ZDUSSCGKSA-N	-2	3	304.346	1.621	20	30		DDEDHL
C=C[C@@H](C)O[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000846551793	703295918	/nfs/dbraw/zinc/29/59/18/703295918.db2.gz	XKCPPVUQFNNIAM-SSDOTTSWSA-N	-2	3	324.811	1.302	20	30		DDEDHL
C=CCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000856031635	704510323	/nfs/dbraw/zinc/51/03/23/704510323.db2.gz	XYNDSSHISNHZRT-UHFFFAOYSA-N	-2	3	324.811	1.304	20	30		DDEDHL
C[C@H](C#N)S(=O)(=O)[N-]c1cccc([O-])c1Br	ZINC001193161863	746003690	/nfs/dbraw/zinc/00/36/90/746003690.db2.gz	UPDSKHNUZHYDBH-ZCFIWIBFSA-N	-2	3	305.153	1.808	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cc2[O-])[n-]n1	ZINC001195733820	746679885	/nfs/dbraw/zinc/67/98/85/746679885.db2.gz	WUKPFRJFBPPHJE-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
N#Cc1ccc2c(c1)n[nH]c2C(=O)NCCCCP(=O)([O-])[O-]	ZINC001156889423	863418869	/nfs/dbraw/zinc/41/88/69/863418869.db2.gz	VNSJCVZJMGZVCE-UHFFFAOYSA-N	-2	3	322.261	1.122	20	30		DDEDHL
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)nc3cn[n-]c32)O1	ZINC001233938123	887476026	/nfs/dbraw/zinc/47/60/26/887476026.db2.gz	AHHNKWDXDZULTI-ZUZCIYMTSA-N	-2	3	304.350	1.927	20	30		DDEDHL
Cc1nc(C=Cc2cc(C#N)n(C)c2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503554	201394827	/nfs/dbraw/zinc/39/48/27/201394827.db2.gz	QPBWTSPELZQXIN-HWKANZROSA-N	-2	3	312.329	1.476	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)s1	ZINC000230326377	407689220	/nfs/dbraw/zinc/68/92/20/407689220.db2.gz	LEOONBQLNVEAIP-UHFFFAOYSA-N	-2	3	314.388	1.543	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1F	ZINC000571022195	421681302	/nfs/dbraw/zinc/68/13/02/421681302.db2.gz	KTYMECXXVJLPEX-VIFPVBQESA-N	-2	3	319.329	1.971	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000630438744	422104437	/nfs/dbraw/zinc/10/44/37/422104437.db2.gz	YCCHWGMIRLADKM-SNVBAGLBSA-N	-2	3	317.338	1.532	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-]	ZINC000629295129	422588845	/nfs/dbraw/zinc/58/88/45/422588845.db2.gz	FJGBWDMKLVUJDN-QMMMGPOBSA-N	-2	3	305.302	1.581	20	30		DDEDHL
C=CC(C)(C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000629332831	422615488	/nfs/dbraw/zinc/61/54/88/422615488.db2.gz	SYCIMOLKRSBBMQ-UHFFFAOYSA-N	-2	3	304.393	1.722	20	30		DDEDHL
N#Cc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)[n-]c1C#N	ZINC000348727876	268323878	/nfs/dbraw/zinc/32/38/78/268323878.db2.gz	HKNUXQXLQQCGCV-UHFFFAOYSA-N	-2	3	313.292	1.959	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000570903601	332837978	/nfs/dbraw/zinc/83/79/78/332837978.db2.gz	JXVCIMRSWABISH-JTQLQIEISA-N	-2	3	305.302	1.663	20	30		DDEDHL
CC(=NNCCC(=O)[O-])c1cc(Br)ccc1[O-]	ZINC000819726871	597739772	/nfs/dbraw/zinc/73/97/72/597739772.db2.gz	VHYIAJQLHOJHJO-UHFFFAOYSA-N	-2	3	301.140	1.943	20	30		DDEDHL
C[C@@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814815707	701754665	/nfs/dbraw/zinc/75/46/65/701754665.db2.gz	ASQGHDUSAJRJFG-AAEUAGOBSA-N	-2	3	324.402	1.983	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(Br)ccc1F	ZINC000814233037	702499924	/nfs/dbraw/zinc/49/99/24/702499924.db2.gz	YDLHKEHRBRKDPO-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c([O-])c1	ZINC001195751459	746699597	/nfs/dbraw/zinc/69/95/97/746699597.db2.gz	UUPCBLSCGDXJQR-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c([O-])c1	ZINC001195751459	746699601	/nfs/dbraw/zinc/69/96/01/746699601.db2.gz	UUPCBLSCGDXJQR-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1	ZINC000614296582	361794412	/nfs/dbraw/zinc/79/44/12/361794412.db2.gz	JSDPNSYNRFFYRH-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
CSCCO[N-]C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000279825564	215179553	/nfs/dbraw/zinc/17/95/53/215179553.db2.gz	ATLGIDPZNANGMS-UHFFFAOYSA-N	-2	3	309.391	1.619	20	30		DDEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000092181933	193171277	/nfs/dbraw/zinc/17/12/77/193171277.db2.gz	JXXNAAHUGMIIPH-RKDXNWHRSA-N	-2	3	310.306	1.005	20	30		DDEDHL
CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232918897	163351444	/nfs/dbraw/zinc/35/14/44/163351444.db2.gz	LSLOPTBDPOPXLB-UHFFFAOYSA-N	-2	3	311.363	1.123	20	30		DDEDHL
C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000573681197	421998230	/nfs/dbraw/zinc/99/82/30/421998230.db2.gz	UERRACRHUABVFE-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
C=CC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000563071525	333307079	/nfs/dbraw/zinc/30/70/79/333307079.db2.gz	CLUDXZHFRZVOKG-ZETCQYMHSA-N	-2	3	305.377	1.698	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(=O)[O-])C1CC1	ZINC000832842739	601637146	/nfs/dbraw/zinc/63/71/46/601637146.db2.gz	HGLCRQQKDPTHGH-UHFFFAOYSA-N	-2	3	317.345	1.284	20	30		DDEDHL
CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)C(C)(C)C	ZINC000819764933	606826233	/nfs/dbraw/zinc/82/62/33/606826233.db2.gz	LYWIACPZUZZSBZ-FNORWQNLSA-N	-2	3	300.326	1.392	20	30		DDEDHL
COC(=O)c1ccc([O-])c(C=NNc2nc(C)cc(=O)[n-]2)c1	ZINC000726737680	699376187	/nfs/dbraw/zinc/37/61/87/699376187.db2.gz	JDXDVNDRSZLTPY-UHFFFAOYSA-N	-2	3	302.290	1.429	20	30		DDEDHL
CC[C@H](NN=Cc1ccc(Br)cc1[O-])C(=O)[O-]	ZINC000853349310	704235962	/nfs/dbraw/zinc/23/59/62/704235962.db2.gz	XNPGDHVGNVZLJW-VIFPVBQESA-N	-2	3	301.140	1.941	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000864453391	706174210	/nfs/dbraw/zinc/17/42/10/706174210.db2.gz	ZJQVNLBLGWOFGU-LLVKDONJSA-N	-2	3	319.329	1.971	20	30		DDEDHL
N#CC1(CC(=O)NCCCCP(=O)([O-])[O-])CCCCC1	ZINC001181380662	743174024	/nfs/dbraw/zinc/17/40/24/743174024.db2.gz	BRHKXZHNOZLVTP-UHFFFAOYSA-N	-2	3	302.311	1.925	20	30		DDEDHL
CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CC#N)c([O-])c1	ZINC001192986124	745942366	/nfs/dbraw/zinc/94/23/66/745942366.db2.gz	VCDPWTOPWIFKHA-UHFFFAOYSA-N	-2	3	312.347	1.613	20	30		DDEDHL
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc([O-])cc1C#N	ZINC001193058817	745975743	/nfs/dbraw/zinc/97/57/43/745975743.db2.gz	KZNCYNOKGDHMQE-UHFFFAOYSA-N	-2	3	312.347	1.347	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2N)ccc1[O-]	ZINC001210534716	875428147	/nfs/dbraw/zinc/42/81/47/875428147.db2.gz	PSWIJQANUYAASV-UHFFFAOYSA-N	-2	3	307.306	1.786	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc([O-])cc(C#N)c1	ZINC001234143676	887683505	/nfs/dbraw/zinc/68/35/05/887683505.db2.gz	GFFXBCJUDMIYEV-ZDUSSCGKSA-N	-2	3	313.331	1.102	20	30		DDEDHL
C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259221367	898540048	/nfs/dbraw/zinc/54/00/48/898540048.db2.gz	DCZVGMFXEOJLDY-UHFFFAOYSA-N	-2	3	319.741	1.867	20	30		DDEDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000591666974	355357096	/nfs/dbraw/zinc/35/70/96/355357096.db2.gz	CMLKJEBACHZOTD-UHFFFAOYSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271634	355841417	/nfs/dbraw/zinc/84/14/17/355841417.db2.gz	ODDUCQZRXJGOFC-QMMMGPOBSA-N	-2	3	300.361	1.317	20	30		DDEDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275027303	212081200	/nfs/dbraw/zinc/08/12/00/212081200.db2.gz	STIKUTIRGSXNMB-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275027307	212081210	/nfs/dbraw/zinc/08/12/10/212081210.db2.gz	STIKUTIRGSXNMB-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000568391500	304291011	/nfs/dbraw/zinc/29/10/11/304291011.db2.gz	CFABUGJYWQJAHA-CQSZACIVSA-N	-2	3	319.361	1.434	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(F)c1	ZINC000548575699	421451076	/nfs/dbraw/zinc/45/10/76/421451076.db2.gz	JRWRMOQUZWLFGZ-UHFFFAOYSA-N	-2	3	300.311	1.231	20	30		DDEDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000534048878	421683925	/nfs/dbraw/zinc/68/39/25/421683925.db2.gz	RXGSUBNKHMPGAH-UHFFFAOYSA-N	-2	3	314.338	1.619	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	ZINC000534048908	269995741	/nfs/dbraw/zinc/99/57/41/269995741.db2.gz	TZYVJHZKQHWQPA-UHFFFAOYSA-N	-2	3	312.322	1.373	20	30		DDEDHL
C=CCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000657077705	424084658	/nfs/dbraw/zinc/08/46/58/424084658.db2.gz	YQSAGPQZXFTCOQ-UHFFFAOYSA-N	-2	3	322.383	1.052	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000261677877	279909652	/nfs/dbraw/zinc/90/96/52/279909652.db2.gz	LIDXOBPXZHASGD-LLVKDONJSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000562651867	303883097	/nfs/dbraw/zinc/88/30/97/303883097.db2.gz	UVCMZZIZYIHYER-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CCOC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)c([O-])c1	ZINC000416956666	528238327	/nfs/dbraw/zinc/23/83/27/528238327.db2.gz	NJNIQAKGPBRKNG-SNVBAGLBSA-N	-2	3	312.347	1.613	20	30		DDEDHL
N#Cc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)s1	ZINC000833071132	601286637	/nfs/dbraw/zinc/28/66/37/601286637.db2.gz	DCBSLLZTFQHJMB-UHFFFAOYSA-N	-2	3	308.344	1.741	20	30		DDEDHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000808108121	701498654	/nfs/dbraw/zinc/49/86/54/701498654.db2.gz	NPHBTHXRTYSXCP-UHFFFAOYSA-N	-2	3	306.299	1.860	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc([O-])c1Cl	ZINC001226709776	843081850	/nfs/dbraw/zinc/08/18/50/843081850.db2.gz	RXZZGWMBZIXTLT-SECBINFHSA-N	-2	3	322.766	1.883	20	30		DDEDHL
COc1ncc(-c2ccccc2C=N[O-])cc1[N-]S(C)(=O)=O	ZINC001244795946	891931091	/nfs/dbraw/zinc/93/10/91/891931091.db2.gz	NFYHPZPTYXCNPE-UHFFFAOYSA-N	-2	3	321.358	1.937	20	30		DDEDHL
CC(C)C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593272326	355841825	/nfs/dbraw/zinc/84/18/25/355841825.db2.gz	CYXSDIXZZUVZOS-SECBINFHSA-N	-2	3	316.404	1.645	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)s1	ZINC000230326422	407687992	/nfs/dbraw/zinc/68/79/92/407687992.db2.gz	GPFKZZPZLUEKNF-UHFFFAOYSA-N	-2	3	300.361	1.153	20	30		DDEDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000548240185	421414454	/nfs/dbraw/zinc/41/44/54/421414454.db2.gz	QNQUCTUCXOWXFK-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	ZINC000572430071	304526831	/nfs/dbraw/zinc/52/68/31/304526831.db2.gz	VEJYLELECLBRQY-UHFFFAOYSA-N	-2	3	312.322	1.231	20	30		DDEDHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000566241177	308051241	/nfs/dbraw/zinc/05/12/41/308051241.db2.gz	ULHATKAQXIPCOT-SNVBAGLBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCNC(=O)[O-]	ZINC000738228816	602221326	/nfs/dbraw/zinc/22/13/26/602221326.db2.gz	BPIQORDNDXNIAY-UHFFFAOYSA-N	-2	3	307.306	1.019	20	30		DDEDHL
O=c1cn[n-]c(=S)n1N=Cc1c([O-])ccc(Cl)c1F	ZINC000766473321	701052602	/nfs/dbraw/zinc/05/26/02/701052602.db2.gz	BZVFMBWZUFIMJH-UHFFFAOYSA-N	-2	3	300.702	1.307	20	30		DDEDHL
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846550425	703295903	/nfs/dbraw/zinc/29/59/03/703295903.db2.gz	SGONQHMZXGCYJR-YPMHNXCESA-N	-2	3	304.346	1.619	20	30		DDEDHL
CSc1ncc(C(=O)Nc2ccc(C#N)cc2[O-])c(=O)[n-]1	ZINC001191438445	745513062	/nfs/dbraw/zinc/51/30/62/745513062.db2.gz	VPTOFJQADYNNBK-UHFFFAOYSA-N	-2	3	302.315	1.734	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc2ccsc2[n-]1	ZINC001234846342	888223242	/nfs/dbraw/zinc/22/32/42/888223242.db2.gz	BFHUGROTPPNQBN-MRVPVSSYSA-N	-2	3	318.376	1.462	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc2sccc2[n-]1	ZINC001234846342	888223255	/nfs/dbraw/zinc/22/32/55/888223255.db2.gz	BFHUGROTPPNQBN-MRVPVSSYSA-N	-2	3	318.376	1.462	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC001259356520	898627102	/nfs/dbraw/zinc/62/71/02/898627102.db2.gz	HGYHTOPHZIXFFT-UHFFFAOYSA-N	-2	3	316.338	2.000	20	30		DDEDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593266950	355838933	/nfs/dbraw/zinc/83/89/33/355838933.db2.gz	ZRZHPDHCIATMIB-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000594721578	356296903	/nfs/dbraw/zinc/29/69/03/356296903.db2.gz	XRQBGIDFZKCFGO-UHFFFAOYSA-N	-2	3	322.433	1.429	20	30		DDEDHL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCCC#N	ZINC000274937035	408567829	/nfs/dbraw/zinc/56/78/29/408567829.db2.gz	QDVCHFTXAPBKGN-UHFFFAOYSA-N	-2	3	312.347	1.829	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000261718028	280328930	/nfs/dbraw/zinc/32/89/30/280328930.db2.gz	QQFXMNNNBPPXJG-NSHDSACASA-N	-2	3	316.766	1.599	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-]	ZINC000668136331	484979567	/nfs/dbraw/zinc/97/95/67/484979567.db2.gz	IYSDQFRNMPTITD-ZJUUUORDSA-N	-2	3	313.379	1.088	20	30		DDEDHL
C[C@H](C#N)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000184988212	697511920	/nfs/dbraw/zinc/51/19/20/697511920.db2.gz	HFXHAEHICOMVSK-ZCFIWIBFSA-N	-2	3	304.274	1.101	20	30		DDEDHL
Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1	ZINC001210529916	733190021	/nfs/dbraw/zinc/19/00/21/733190021.db2.gz	XCNXXTHLQPRJEA-UHFFFAOYSA-N	-2	3	303.343	1.955	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1[O-]	ZINC001198783364	747595168	/nfs/dbraw/zinc/59/51/68/747595168.db2.gz	ZMDXYORBTBDIHJ-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593257168	355834246	/nfs/dbraw/zinc/83/42/46/355834246.db2.gz	SMZSJKJZNVLYSB-QMMMGPOBSA-N	-2	3	302.377	1.397	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000619546566	364055297	/nfs/dbraw/zinc/05/52/97/364055297.db2.gz	SKXGEKATJZUJEA-UHFFFAOYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000275244642	212221308	/nfs/dbraw/zinc/22/13/08/212221308.db2.gz	KPKCEQMKLUJEID-UHFFFAOYSA-N	-2	3	316.766	1.601	20	30		DDEDHL
Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])c1	ZINC000554531789	421647414	/nfs/dbraw/zinc/64/74/14/421647414.db2.gz	KZZJPERUTOPMEZ-CYBMUJFWSA-N	-2	3	320.326	1.564	20	30		DDEDHL
CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000548200175	303577238	/nfs/dbraw/zinc/57/72/38/303577238.db2.gz	FTFPFNINXVBTNY-SECBINFHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1F	ZINC000572698054	332089391	/nfs/dbraw/zinc/08/93/91/332089391.db2.gz	TYHXQNZXQYDPTE-VIFPVBQESA-N	-2	3	319.329	1.971	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000577067531	341883153	/nfs/dbraw/zinc/88/31/53/341883153.db2.gz	LLESVTZFJSMZNT-SNVBAGLBSA-N	-2	3	301.339	1.832	20	30		DDEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1	ZINC000823958590	608110069	/nfs/dbraw/zinc/11/00/69/608110069.db2.gz	RPWPDRPLQIMGMO-UHFFFAOYSA-N	-2	3	323.316	1.796	20	30		DDEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1	ZINC000823958590	608110070	/nfs/dbraw/zinc/11/00/70/608110070.db2.gz	RPWPDRPLQIMGMO-UHFFFAOYSA-N	-2	3	323.316	1.796	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000776596693	698125214	/nfs/dbraw/zinc/12/52/14/698125214.db2.gz	HXVYLQUCWWEGHW-NSHDSACASA-N	-2	3	319.329	1.971	20	30		DDEDHL
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846550423	703295700	/nfs/dbraw/zinc/29/57/00/703295700.db2.gz	SGONQHMZXGCYJR-DGCLKSJQSA-N	-2	3	304.346	1.619	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)c2ccc([O-])c(C#N)c2)[n-]1	ZINC001193499572	746120532	/nfs/dbraw/zinc/12/05/32/746120532.db2.gz	SKLDSUAHTMPZCW-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)c2ccc([O-])c(C#N)c2)c[n-]1	ZINC001193499572	746120535	/nfs/dbraw/zinc/12/05/35/746120535.db2.gz	SKLDSUAHTMPZCW-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326028	407689625	/nfs/dbraw/zinc/68/96/25/407689625.db2.gz	GOPFGOYACWHRNK-VIFPVBQESA-N	-2	3	316.404	1.645	20	30		DDEDHL
Cc1oc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1C(=O)[O-]	ZINC000554430027	421640076	/nfs/dbraw/zinc/64/00/76/421640076.db2.gz	KPMRKFGLNMWQKX-UHFFFAOYSA-N	-2	3	310.287	1.229	20	30		DDEDHL
Cc1cc(-c2nn[n-]n2)ccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000826243345	607397708	/nfs/dbraw/zinc/39/77/08/607397708.db2.gz	FBTGYWUSPFSNLA-CYBMUJFWSA-N	-2	3	324.344	1.120	20	30		DDEDHL
Cc1ncc(CO)c(C=Nc2cccc(CC(=O)[O-])c2)c1[O-]	ZINC000738369330	601948984	/nfs/dbraw/zinc/94/89/84/601948984.db2.gz	AQIGIDYPQHWIDC-UHFFFAOYSA-N	-2	3	300.314	1.966	20	30		DDEDHL
O=C([O-])N[C@H]1CC(=N[N-]c2[nH+]cnc3[n-]cnc32)c2ccccc21	ZINC000834156705	605743595	/nfs/dbraw/zinc/74/35/95/605743595.db2.gz	CBKFGAOREUPDKC-JTQLQIEISA-N	-2	3	323.316	1.882	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1[O-]	ZINC001298994756	870813662	/nfs/dbraw/zinc/81/36/62/870813662.db2.gz	VQPOOLUYKZISKK-UHFFFAOYSA-N	-2	3	320.312	1.620	20	30		DDEDHL
CCCN(CC(=O)[O-])C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000566738476	304177885	/nfs/dbraw/zinc/17/78/85/304177885.db2.gz	ZTWCEZYJHZLIJJ-UHFFFAOYSA-N	-2	3	319.361	1.532	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000567863146	308098789	/nfs/dbraw/zinc/09/87/89/308098789.db2.gz	CDZZZOQJLORHRR-SECBINFHSA-N	-2	3	319.361	1.387	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](C)C(=O)[O-]	ZINC000577473733	308390792	/nfs/dbraw/zinc/39/07/92/308390792.db2.gz	ZWLBWYJECJLLPZ-HTQZYQBOSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC(=CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)C(C)(C)C	ZINC000819764918	606826195	/nfs/dbraw/zinc/82/61/95/606826195.db2.gz	LYWIACPZUZZSBZ-ALCCZGGFSA-N	-2	3	300.326	1.392	20	30		DDEDHL
CCOC(=O)c1[n-]cnc1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193634914	746156624	/nfs/dbraw/zinc/15/66/24/746156624.db2.gz	LZWNDCQFYHFDFX-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc[n-]c1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193634914	746156625	/nfs/dbraw/zinc/15/66/25/746156625.db2.gz	LZWNDCQFYHFDFX-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
O=C1C=C[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1	ZINC001227596219	883095943	/nfs/dbraw/zinc/09/59/43/883095943.db2.gz	JCCKNKMRZUXVGG-RXMQYKEDSA-N	-2	3	311.095	1.097	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1[O-]	ZINC001260227428	899100331	/nfs/dbraw/zinc/10/03/31/899100331.db2.gz	IXKBKDDOOGBRMI-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-]	ZINC000274927284	212040356	/nfs/dbraw/zinc/04/03/56/212040356.db2.gz	BUWWPXFHSWKXMI-JTQLQIEISA-N	-2	3	319.741	1.624	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)s1	ZINC000230322991	163347594	/nfs/dbraw/zinc/34/75/94/163347594.db2.gz	DEZKFEYXCDHRCA-UHFFFAOYSA-N	-2	3	322.367	1.796	20	30		DDEDHL
N#CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC000362336117	418752039	/nfs/dbraw/zinc/75/20/39/418752039.db2.gz	URPUKVPPFFPBJL-UHFFFAOYSA-N	-2	3	312.322	1.496	20	30		DDEDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000548259869	421414768	/nfs/dbraw/zinc/41/47/68/421414768.db2.gz	DSPOSGNQWAIJTB-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000572695662	421812133	/nfs/dbraw/zinc/81/21/33/421812133.db2.gz	OMNGIHNDXAQGOX-MRVPVSSYSA-N	-2	3	304.393	1.403	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000541934726	421815064	/nfs/dbraw/zinc/81/50/64/421815064.db2.gz	XEJIBWIXUGPJOV-NSHDSACASA-N	-2	3	303.286	1.110	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000630438638	422105144	/nfs/dbraw/zinc/10/51/44/422105144.db2.gz	UVHGJAGKLBYZAN-SECBINFHSA-N	-2	3	317.338	1.532	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(Cl)c1	ZINC000126095412	281226532	/nfs/dbraw/zinc/22/65/32/281226532.db2.gz	NNEOZDMSDHIDSO-UHFFFAOYSA-N	-2	3	314.750	1.497	20	30		DDEDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547886980	303557925	/nfs/dbraw/zinc/55/79/25/303557925.db2.gz	KZSNBLOSKRVCTA-ZDUSSCGKSA-N	-2	3	314.338	1.477	20	30		DDEDHL
CSc1ncc([O-])c(C(=O)N([O-])C(=N)c2ccccc2N)n1	ZINC001185185791	744173727	/nfs/dbraw/zinc/17/37/27/744173727.db2.gz	HJNPMOFQDSWKSG-UHFFFAOYSA-N	-2	3	319.346	1.343	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC000084147276	192406984	/nfs/dbraw/zinc/40/69/84/192406984.db2.gz	YZUXIHUJOUYRLQ-UHFFFAOYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(Cl)c1	ZINC000126055117	354049841	/nfs/dbraw/zinc/04/98/41/354049841.db2.gz	VGVUSUQMCZWVPO-NSHDSACASA-N	-2	3	314.750	1.353	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	ZINC000593258638	355834595	/nfs/dbraw/zinc/83/45/95/355834595.db2.gz	RCGDZSPFIGUFDF-UHFFFAOYSA-N	-2	3	314.388	1.543	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(F)c1	ZINC000560422210	303811435	/nfs/dbraw/zinc/81/14/35/303811435.db2.gz	QASOHMMBTQRPHP-NSHDSACASA-N	-2	3	312.322	1.229	20	30		DDEDHL
Cn1cc(NC(=O)c2cc(=O)c3cccc([O-])c3[n-]2)c(C#N)n1	ZINC001152670412	863482003	/nfs/dbraw/zinc/48/20/03/863482003.db2.gz	CJMJYRHKVHAOMP-UHFFFAOYSA-N	-2	3	309.285	1.503	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)s1	ZINC000230325618	354326948	/nfs/dbraw/zinc/32/69/48/354326948.db2.gz	DMTSJDJQESVYOZ-SFYZADRCSA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593257092	355834181	/nfs/dbraw/zinc/83/41/81/355834181.db2.gz	RJMHKWILCOROJS-MRVPVSSYSA-N	-2	3	302.377	1.255	20	30		DDEDHL
C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000567498071	421612230	/nfs/dbraw/zinc/61/22/30/421612230.db2.gz	BMEMAEVAOQHVGA-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
CCOC(=O)c1ccc([N-]S(=O)(=O)[C@H](C#N)CC)c([O-])c1	ZINC000416956664	528239050	/nfs/dbraw/zinc/23/90/50/528239050.db2.gz	NJNIQAKGPBRKNG-JTQLQIEISA-N	-2	3	312.347	1.613	20	30		DDEDHL
N#CCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000079865655	601234311	/nfs/dbraw/zinc/23/43/11/601234311.db2.gz	MUUDMWTXIYBKCK-UHFFFAOYSA-N	-2	3	318.301	1.635	20	30		DDEDHL
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000816692612	702152437	/nfs/dbraw/zinc/15/24/37/702152437.db2.gz	ROZJYLNHUPPIQZ-GFCCVEGCSA-N	-2	3	320.732	1.919	20	30		DDEDHL
CCCCCCCCS(=O)(=O)NCCP(=O)([O-])[O-]	ZINC001188020235	744651850	/nfs/dbraw/zinc/65/18/50/744651850.db2.gz	QMLXEZFKRJSSSA-UHFFFAOYSA-N	-2	3	301.345	1.444	20	30		DDEDHL
N#Cc1ccc2[nH]c(C(=O)NCCCCP(=O)([O-])[O-])cc2c1	ZINC001156461491	863070700	/nfs/dbraw/zinc/07/07/00/863070700.db2.gz	PJYXVZSSXHDDLA-UHFFFAOYSA-N	-2	3	321.273	1.727	20	30		DDEDHL
N#Cc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cc1[O-]	ZINC000615427450	362284551	/nfs/dbraw/zinc/28/45/51/362284551.db2.gz	UDFYLWZASMXIKO-CQSZACIVSA-N	-2	3	320.312	1.296	20	30		DDEDHL
N#Cc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[O-]	ZINC000615427450	362284557	/nfs/dbraw/zinc/28/45/57/362284557.db2.gz	UDFYLWZASMXIKO-CQSZACIVSA-N	-2	3	320.312	1.296	20	30		DDEDHL
C[C@@H](CCC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593259886	355835487	/nfs/dbraw/zinc/83/54/87/355835487.db2.gz	LGXMKHXOJQUIAD-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C(=O)[O-])cs1	ZINC000594574322	356253204	/nfs/dbraw/zinc/25/32/04/356253204.db2.gz	XQWHMTQWVZZRMH-ZETCQYMHSA-N	-2	3	315.376	1.125	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000275081511	212110783	/nfs/dbraw/zinc/11/07/83/212110783.db2.gz	YUIKHEHCVPTEPE-LLVKDONJSA-N	-2	3	317.313	1.418	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c(F)c1	ZINC000547936431	421380427	/nfs/dbraw/zinc/38/04/27/421380427.db2.gz	HEQLEJCZSDQBST-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
C=C[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000340890907	334393670	/nfs/dbraw/zinc/39/36/70/334393670.db2.gz	RYLQEUCLPHGDAM-QMMMGPOBSA-N	-2	3	322.383	1.050	20	30		DDEDHL
C#CCCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1	ZINC000738457753	602853959	/nfs/dbraw/zinc/85/39/59/602853959.db2.gz	VYTUGYXCNYXKPH-UHFFFAOYSA-N	-2	3	317.345	1.263	20	30		DDEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833374015	605249278	/nfs/dbraw/zinc/24/92/78/605249278.db2.gz	NPJPVOWJOVJRBD-MRVPVSSYSA-N	-2	3	301.368	1.439	20	30		DDEDHL
Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(F)c([O-])c(F)c2)o1	ZINC000822423544	606624295	/nfs/dbraw/zinc/62/42/95/606624295.db2.gz	LOQMVRIROWLPEG-UHFFFAOYSA-N	-2	3	321.247	1.593	20	30		DDEDHL
Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c([O-])c(F)c2)o1	ZINC000822423544	606624297	/nfs/dbraw/zinc/62/42/97/606624297.db2.gz	LOQMVRIROWLPEG-UHFFFAOYSA-N	-2	3	321.247	1.593	20	30		DDEDHL
COc1cc(C=Nn2c(=O)cn[n-]c2=S)cc(Cl)c1[O-]	ZINC000766484064	701053671	/nfs/dbraw/zinc/05/36/71/701053671.db2.gz	KKNQTFSALBCTDK-UHFFFAOYSA-N	-2	3	312.738	1.177	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Br)c(F)c1	ZINC000814232560	702500272	/nfs/dbraw/zinc/50/02/72/702500272.db2.gz	BXUKEYAWYCMUKX-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
CC[C@H](NN=Cc1c([O-])cccc1Br)C(=O)[O-]	ZINC000863114737	705862771	/nfs/dbraw/zinc/86/27/71/705862771.db2.gz	SAFZILXNTHGLOO-VIFPVBQESA-N	-2	3	301.140	1.941	20	30		DDEDHL
CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)C2CC2)c(C)c1[O-]	ZINC001259275531	898569211	/nfs/dbraw/zinc/56/92/11/898569211.db2.gz	IIKNIKNDJYWMQV-UHFFFAOYSA-N	-2	3	324.358	1.653	20	30		DDEDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000261694840	203094990	/nfs/dbraw/zinc/09/49/90/203094990.db2.gz	NMOXWNGDYFEJJU-NSHDSACASA-N	-2	3	314.338	1.475	20	30		DDEDHL
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000663425494	423811775	/nfs/dbraw/zinc/81/17/75/423811775.db2.gz	AWMSRKNSUPFWFP-UWVGGRQHSA-N	-2	3	315.347	1.156	20	30		DDEDHL
C=C(C)COCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000663424875	423815188	/nfs/dbraw/zinc/81/51/88/423815188.db2.gz	OIBYSMFSQQMBQP-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1[O-]	ZINC000740231493	603317161	/nfs/dbraw/zinc/31/71/61/603317161.db2.gz	LSFXFTFJKANCQL-URURAPGYSA-N	-2	3	307.350	1.443	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1CN(C(=O)[O-])C1	ZINC000829821409	603587293	/nfs/dbraw/zinc/58/72/93/603587293.db2.gz	RICGFPFXNSZANC-UHFFFAOYSA-N	-2	3	319.317	1.114	20	30		DDEDHL
COc1c([O-])c(C=N[N-]c2oc(C)nc2C#N)ccc1[N+](=O)[O-]	ZINC000773053091	697706950	/nfs/dbraw/zinc/70/69/50/697706950.db2.gz	DNDLXEGHXRBPPE-UHFFFAOYSA-N	-2	3	317.261	1.923	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)CCC(=O)C2=CC=C[CH]2)[n-]1	ZINC001184241699	743999817	/nfs/dbraw/zinc/99/98/17/743999817.db2.gz	XTTWRGLTQNHDLY-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)CCC(=O)C2=CC=C[CH]2)c[n-]1	ZINC001184241699	743999820	/nfs/dbraw/zinc/99/98/20/743999820.db2.gz	XTTWRGLTQNHDLY-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
O=C(C[N-]C(=O)C(F)(F)C(F)(F)Cl)[N-]CC(F)(F)F	ZINC001179781546	779476993	/nfs/dbraw/zinc/47/69/93/779476993.db2.gz	GSCQUCQTQSGLTF-UHFFFAOYSA-N	-2	3	318.576	1.248	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275253792	212226102	/nfs/dbraw/zinc/22/61/02/212226102.db2.gz	LMFYUQBXBUQZQC-UHFFFAOYSA-N	-2	3	300.311	1.086	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-]	ZINC000275037377	212087643	/nfs/dbraw/zinc/08/76/43/212087643.db2.gz	QRQLNOLYIMNHOZ-LLVKDONJSA-N	-2	3	319.741	1.624	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1	ZINC000160692643	408512230	/nfs/dbraw/zinc/51/22/30/408512230.db2.gz	SFHKQPBUDJSFOU-LLVKDONJSA-N	-2	3	314.750	1.353	20	30		DDEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000360211484	411102663	/nfs/dbraw/zinc/10/26/63/411102663.db2.gz	IGHKYTSFONSNDP-SECBINFHSA-N	-2	3	317.392	1.102	20	30		DDEDHL
Cc1cccc2c1[n-]cc(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c2=O	ZINC000361386467	418641172	/nfs/dbraw/zinc/64/11/72/418641172.db2.gz	KWTZZOSUKNWYOC-UHFFFAOYSA-N	-2	3	318.296	1.555	20	30		DDEDHL
Cc1cccc2c([O-])c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cnc12	ZINC000361386467	418641173	/nfs/dbraw/zinc/64/11/73/418641173.db2.gz	KWTZZOSUKNWYOC-UHFFFAOYSA-N	-2	3	318.296	1.555	20	30		DDEDHL
N#CCCCS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000265419415	222355114	/nfs/dbraw/zinc/35/51/14/222355114.db2.gz	MRMVEBMZLDWZQM-UHFFFAOYSA-N	-2	3	304.274	1.708	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000646041008	423305374	/nfs/dbraw/zinc/30/53/74/423305374.db2.gz	GYWCISUFSWXNKW-SECBINFHSA-N	-2	3	303.311	1.142	20	30		DDEDHL
O=C([O-])N[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000834169411	605858628	/nfs/dbraw/zinc/85/86/28/605858628.db2.gz	LZLFHKIBGBAQOX-NSHDSACASA-N	-2	3	311.363	1.282	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1	ZINC000776279041	698091488	/nfs/dbraw/zinc/09/14/88/698091488.db2.gz	HIYQGFWFGBANFC-UHFFFAOYSA-N	-2	3	324.292	1.377	20	30		DDEDHL
C#C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223913	898539533	/nfs/dbraw/zinc/53/95/33/898539533.db2.gz	OQHOZBAQIIHLRD-ZCFIWIBFSA-N	-2	3	305.714	1.477	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000566916191	304188073	/nfs/dbraw/zinc/18/80/73/304188073.db2.gz	WEKLJHHNWXYWAY-NSHDSACASA-N	-2	3	317.345	1.141	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1[O-]	ZINC000188316026	222010895	/nfs/dbraw/zinc/01/08/95/222010895.db2.gz	GQNHFGBFECKHPO-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1[O-]	ZINC000188316026	222010898	/nfs/dbraw/zinc/01/08/98/222010898.db2.gz	GQNHFGBFECKHPO-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000630437966	422105767	/nfs/dbraw/zinc/10/57/67/422105767.db2.gz	KCEDOVKEAWVZOA-QMMMGPOBSA-N	-2	3	304.393	1.403	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656157546	483983245	/nfs/dbraw/zinc/98/32/45/483983245.db2.gz	PJSCYJXSJZIHCZ-VIFPVBQESA-N	-2	3	317.338	1.532	20	30		DDEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000416964617	529270963	/nfs/dbraw/zinc/27/09/63/529270963.db2.gz	WEDRFCCXBLOKPJ-GWCFXTLKSA-N	-2	3	310.375	1.994	20	30		DDEDHL
C[C@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814815710	701754395	/nfs/dbraw/zinc/75/43/95/701754395.db2.gz	ASQGHDUSAJRJFG-YPMHNXCESA-N	-2	3	324.402	1.983	20	30		DDEDHL
C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1	ZINC001227569297	883085944	/nfs/dbraw/zinc/08/59/44/883085944.db2.gz	YNCQTVLEPWRHMN-VIFPVBQESA-N	-2	3	324.337	1.227	20	30		DDEDHL
CCOC(=O)C[C@@H](CC#N)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228972191	883752849	/nfs/dbraw/zinc/75/28/49/883752849.db2.gz	UGYKOMFSFNLIBH-SECBINFHSA-N	-2	3	310.262	1.620	20	30		DDEDHL
CCCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252012	355833013	/nfs/dbraw/zinc/83/30/13/355833013.db2.gz	UIDSHPMMWJGPCQ-QMMMGPOBSA-N	-2	3	302.377	1.541	20	30		DDEDHL
N#Cc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[O-]	ZINC000332338763	410076880	/nfs/dbraw/zinc/07/68/80/410076880.db2.gz	QPWQEBCYYXSHMN-NSHDSACASA-N	-2	3	314.301	1.372	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[O-]	ZINC000442646655	420693193	/nfs/dbraw/zinc/69/31/93/420693193.db2.gz	HBDQUZMFELMUEQ-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[O-]	ZINC000442646655	420693196	/nfs/dbraw/zinc/69/31/96/420693196.db2.gz	HBDQUZMFELMUEQ-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548589081	421451649	/nfs/dbraw/zinc/45/16/49/421451649.db2.gz	BUOOZMNKOKEKOO-MRVPVSSYSA-N	-2	3	300.311	1.229	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000582345075	422142372	/nfs/dbraw/zinc/14/23/72/422142372.db2.gz	PAOKGUSWZGWXRB-SECBINFHSA-N	-2	3	314.319	1.293	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000646044661	423310669	/nfs/dbraw/zinc/31/06/69/423310669.db2.gz	RFUIVEKLEXYOPW-SNVBAGLBSA-N	-2	3	317.338	1.532	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	ZINC000584286811	332213586	/nfs/dbraw/zinc/21/35/86/332213586.db2.gz	ITSCHAWMEBSFLD-ZKCHVHJHSA-N	-2	3	314.750	1.353	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(OC)cc1F	ZINC000577039431	341879805	/nfs/dbraw/zinc/87/98/05/341879805.db2.gz	FSHJVUOHGFYRAW-SECBINFHSA-N	-2	3	317.338	1.532	20	30		DDEDHL
Cc1cc(-c2nn[n-]n2)ccc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000826243385	607399553	/nfs/dbraw/zinc/39/95/53/607399553.db2.gz	HBZSZUSRPDYSHX-GFCCVEGCSA-N	-2	3	312.333	1.022	20	30		DDEDHL
C/C(=C\COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC000825758200	601412190	/nfs/dbraw/zinc/41/21/90/601412190.db2.gz	FUEKZZZCMIUZNR-RMKNXTFCSA-N	-2	3	318.329	1.782	20	30		DDEDHL
CC[C@@H](NN=Cc1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000793056271	699731041	/nfs/dbraw/zinc/73/10/41/699731041.db2.gz	FEDNNNNZYUJJPP-SECBINFHSA-N	-2	3	301.140	1.941	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1[O-]	ZINC001413545506	857042696	/nfs/dbraw/zinc/04/26/96/857042696.db2.gz	JJEHDUGGKRDPBD-UHFFFAOYSA-N	-2	3	310.313	1.567	20	30		DDEDHL
C=CCCS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000123114897	407319600	/nfs/dbraw/zinc/31/96/00/407319600.db2.gz	DXPWBKOPSJBRAC-UHFFFAOYSA-N	-2	3	304.393	1.376	20	30		DDEDHL
CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326031	407689603	/nfs/dbraw/zinc/68/96/03/407689603.db2.gz	GOPFGOYACWHRNK-SECBINFHSA-N	-2	3	316.404	1.645	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547879684	421376274	/nfs/dbraw/zinc/37/62/74/421376274.db2.gz	UZGIMBKMUBJBBF-JTQLQIEISA-N	-2	3	300.311	1.229	20	30		DDEDHL
C=CCCC(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000663434947	423823416	/nfs/dbraw/zinc/82/34/16/423823416.db2.gz	HFVYMCAEEZFYGL-UHFFFAOYSA-N	-2	3	304.393	1.864	20	30		DDEDHL
C=CCSCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000564565695	332651311	/nfs/dbraw/zinc/65/13/11/332651311.db2.gz	ZZHGZMYAVRWQCQ-UHFFFAOYSA-N	-2	3	308.406	1.039	20	30		DDEDHL
O=S1(=O)[N-]C(=NN=Cc2ccc([O-])c(F)c2)c2ccccc21	ZINC000755638882	700574877	/nfs/dbraw/zinc/57/48/77/700574877.db2.gz	BGIRRYMCJICELC-UHFFFAOYSA-N	-2	3	319.317	1.604	20	30		DDEDHL
C[C@@H]1C[C@H](C(=O)[O-])CCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000814816711	701754586	/nfs/dbraw/zinc/75/45/86/701754586.db2.gz	SBLHDZFCULGKLW-DGCLKSJQSA-N	-2	3	324.402	1.983	20	30		DDEDHL
CSCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252128	355833213	/nfs/dbraw/zinc/83/32/13/355833213.db2.gz	YIWVZDHQPFGKLA-SSDOTTSWSA-N	-2	3	320.417	1.104	20	30		DDEDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000261628437	203083716	/nfs/dbraw/zinc/08/37/16/203083716.db2.gz	DFTDCVNTRHLVHM-UFBFGSQYSA-N	-2	3	314.338	1.475	20	30		DDEDHL
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000061890143	184192388	/nfs/dbraw/zinc/19/23/88/184192388.db2.gz	IKIHYQAFSGYUHF-APPZFPTMSA-N	-2	3	300.361	1.417	20	30		DDEDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000584513906	337352638	/nfs/dbraw/zinc/35/26/38/337352638.db2.gz	DLXIJGCQFIBKMA-JTQLQIEISA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=CCSCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000231937653	340627836	/nfs/dbraw/zinc/62/78/36/340627836.db2.gz	ZTACIAKEOCZRQN-UHFFFAOYSA-N	-2	3	308.406	1.039	20	30		DDEDHL
O=c1cn[n-]c(=S)n1N=Cc1cc(Cl)cc(F)c1[O-]	ZINC000766478706	701053391	/nfs/dbraw/zinc/05/33/91/701053391.db2.gz	TWLUVYRZMKYGAZ-UHFFFAOYSA-N	-2	3	300.702	1.307	20	30		DDEDHL
N#Cc1cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccc1[O-]	ZINC001193512536	746130199	/nfs/dbraw/zinc/13/01/99/746130199.db2.gz	OMJWNDSBXQOGSW-UHFFFAOYSA-N	-2	3	322.280	1.871	20	30		DDEDHL
CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254908	746557618	/nfs/dbraw/zinc/55/76/18/746557618.db2.gz	PEDXWMUKOVANHV-GFCCVEGCSA-N	-2	3	318.301	1.634	20	30		DDEDHL
Cc1nc([N-]S(=O)(=O)c2ccc([O-])cc2)c(C#N)cc1C#N	ZINC001195765738	746690832	/nfs/dbraw/zinc/69/08/32/746690832.db2.gz	BMUZENQBJKIIOU-UHFFFAOYSA-N	-2	3	314.326	1.640	20	30		DDEDHL
N#Cc1nc(Cl)c([N-]c2cc(C(=O)[O-])cnc2F)nc1C#N	ZINC001215124492	876575425	/nfs/dbraw/zinc/57/54/25/876575425.db2.gz	UOGLLRPFBKKHHI-UHFFFAOYSA-N	-2	3	318.655	1.849	20	30		DDEDHL
CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271629	355841641	/nfs/dbraw/zinc/84/16/41/355841641.db2.gz	NVSWYZCWXUXRIU-GZMMTYOYSA-N	-2	3	316.404	1.643	20	30		DDEDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000593273966	355842436	/nfs/dbraw/zinc/84/24/36/355842436.db2.gz	OXRVCDQQNBWVNP-ZETCQYMHSA-N	-2	3	300.361	1.151	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000566546442	341561542	/nfs/dbraw/zinc/56/15/42/341561542.db2.gz	CHUUFHMTILDSFK-SECBINFHSA-N	-2	3	304.755	1.433	20	30		DDEDHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCCS)c(F)cc1F	ZINC001195258294	746558161	/nfs/dbraw/zinc/55/81/61/746558161.db2.gz	NLPVWURCMGTMMP-UHFFFAOYSA-N	-2	3	311.331	1.261	20	30		DDEDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254619	355833834	/nfs/dbraw/zinc/83/38/34/355833834.db2.gz	PFEDWWCNOPYXBR-VIFPVBQESA-N	-2	3	302.377	1.397	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-]	ZINC000594573974	356253168	/nfs/dbraw/zinc/25/31/68/356253168.db2.gz	RUBTYAPWDQNOKC-VIFPVBQESA-N	-2	3	320.729	1.303	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160688651	408513279	/nfs/dbraw/zinc/51/32/79/408513279.db2.gz	WOICLENGGZUDST-SNVBAGLBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[O-]	ZINC000188662624	222021852	/nfs/dbraw/zinc/02/18/52/222021852.db2.gz	ZSIGAWXPAIVRDK-UHFFFAOYSA-N	-2	3	320.312	1.620	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[O-]	ZINC000188662624	222021855	/nfs/dbraw/zinc/02/18/55/222021855.db2.gz	ZSIGAWXPAIVRDK-UHFFFAOYSA-N	-2	3	320.312	1.620	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1F	ZINC000572698053	332089425	/nfs/dbraw/zinc/08/94/25/332089425.db2.gz	TYHXQNZXQYDPTE-SECBINFHSA-N	-2	3	319.329	1.971	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@@H]2CCCCN(C(=O)[O-])C2)c1[O-]	ZINC000740232697	602749148	/nfs/dbraw/zinc/74/91/48/602749148.db2.gz	SBQPCAPOLBDYAV-KOSUEXCASA-N	-2	3	307.350	1.539	20	30		DDEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000087496483	185226824	/nfs/dbraw/zinc/22/68/24/185226824.db2.gz	SEOLRRJMKBGRIL-JTQLQIEISA-N	-2	3	314.338	1.332	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ncc(C(=O)[O-])s1	ZINC000582003556	354739296	/nfs/dbraw/zinc/73/92/96/354739296.db2.gz	NZJHIFWRYXPGCU-ZETCQYMHSA-N	-2	3	315.376	1.125	20	30		DDEDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000593274215	355842368	/nfs/dbraw/zinc/84/23/68/355842368.db2.gz	QZAZGJCNNAKFOF-QMMMGPOBSA-N	-2	3	312.322	1.229	20	30		DDEDHL
COc1cc([O-])cc([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000357086317	409862513	/nfs/dbraw/zinc/86/25/13/409862513.db2.gz	UYCLUPHPCICRFF-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
C=CC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000563071519	333306956	/nfs/dbraw/zinc/30/69/56/333306956.db2.gz	CLUDXZHFRZVOKG-SSDOTTSWSA-N	-2	3	305.377	1.698	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@H]2CCCCN(C(=O)[O-])C2)c1[O-]	ZINC000740232700	602748996	/nfs/dbraw/zinc/74/89/96/602748996.db2.gz	SBQPCAPOLBDYAV-MSBCHBQFSA-N	-2	3	307.350	1.539	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1[O-]	ZINC000740231490	603316849	/nfs/dbraw/zinc/31/68/49/603316849.db2.gz	LSFXFTFJKANCQL-DERSYDOHSA-N	-2	3	307.350	1.443	20	30		DDEDHL
N#Cc1cc(CC(=O)NCCCCP(=O)([O-])[O-])ccc1F	ZINC001181194928	743100650	/nfs/dbraw/zinc/10/06/50/743100650.db2.gz	UAZHEHCQMIUOAG-UHFFFAOYSA-N	-2	3	314.253	1.314	20	30		DDEDHL
N#CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1	ZINC001195259184	746558091	/nfs/dbraw/zinc/55/80/91/746558091.db2.gz	YPNPQKZMLQCMKM-UHFFFAOYSA-N	-2	3	316.285	1.245	20	30		DDEDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)cn1	ZINC001195724316	746686237	/nfs/dbraw/zinc/68/62/37/746686237.db2.gz	GZFBWBLKNHCZAP-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
CCc1oc(C)c([O-])c1Oc1c([O-])cc(C(=O)OC)cc1[O-]	ZINC001227532846	883061412	/nfs/dbraw/zinc/06/14/12/883061412.db2.gz	MFGBEPSYAVIGBK-SSDOTTSWSA-N	-3	3	308.286	1.873	20	30		DDEDHL
N#CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259212211	898537582	/nfs/dbraw/zinc/53/75/82/898537582.db2.gz	JDILCZYRHDGGHK-UHFFFAOYSA-N	-2	3	306.702	1.369	20	30		DDEDHL
CC[C@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000087500049	185226926	/nfs/dbraw/zinc/22/69/26/185226926.db2.gz	OWWYAOHMCNJPON-MRVPVSSYSA-N	-2	3	300.311	1.086	20	30		DDEDHL
N#CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000040605463	183107894	/nfs/dbraw/zinc/10/78/94/183107894.db2.gz	QYKHTOBDQYPFBT-UHFFFAOYSA-N	-2	3	309.130	1.493	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000164866039	408806275	/nfs/dbraw/zinc/80/62/75/408806275.db2.gz	NSKIILQIGSZHDG-UHFFFAOYSA-N	-2	3	316.766	1.601	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)s1	ZINC000230324057	163347157	/nfs/dbraw/zinc/34/71/57/163347157.db2.gz	SMXVEYUFQJSPHY-GFCCVEGCSA-N	-2	3	322.367	1.724	20	30		DDEDHL
C#CCO[N-]C(=O)CCC1(CC(=O)[N-]OCC#C)CCCCC1	ZINC000296209797	409463442	/nfs/dbraw/zinc/46/34/42/409463442.db2.gz	VRBKDWQUVCGFES-UHFFFAOYSA-N	-2	3	320.389	1.469	20	30		DDEDHL
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cn[n-]n2)C1=O	ZINC000298923946	410453496	/nfs/dbraw/zinc/45/34/96/410453496.db2.gz	JJOIENMLUXPRBR-AWEZNQCLSA-N	-2	3	322.369	1.121	20	30		DDEDHL
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000529012901	421526391	/nfs/dbraw/zinc/52/63/91/421526391.db2.gz	IQDOWRFEIVCBSX-UHFFFAOYSA-N	-2	3	321.362	1.093	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H](C)C(=O)[O-]	ZINC000571737807	421739552	/nfs/dbraw/zinc/73/95/52/421739552.db2.gz	IZXATMMDLZXDLI-HTQZYQBOSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C=CCCOCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000663426221	423811568	/nfs/dbraw/zinc/81/15/68/423811568.db2.gz	XCBJESONTJJMRF-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
C[C@@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814815709	701754683	/nfs/dbraw/zinc/75/46/83/701754683.db2.gz	ASQGHDUSAJRJFG-WCQYABFASA-N	-2	3	324.402	1.983	20	30		DDEDHL
COc1cc(Cl)c(C=Nn2c(=O)[n-][n-]c2=O)cc1Cl	ZINC000814232268	702499975	/nfs/dbraw/zinc/49/99/75/702499975.db2.gz	ZHQGWDNQLRYSOL-UHFFFAOYSA-N	-2	3	303.105	1.887	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844784571	703073442	/nfs/dbraw/zinc/07/34/42/703073442.db2.gz	GKDAJOZGSXQQOQ-VIFPVBQESA-N	-2	3	322.745	1.572	20	30		DDEDHL
O=C(CCC(=O)C1=CC=C[CH]1)NCCCCP(=O)([O-])[O-]	ZINC001184245940	744000808	/nfs/dbraw/zinc/00/08/08/744000808.db2.gz	FALVGHGOHNFTRA-UHFFFAOYSA-N	-3	3	300.271	1.110	20	30		DDEDHL
Cc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2[O-])c(=O)[n-]1	ZINC000176403498	744901999	/nfs/dbraw/zinc/90/19/99/744901999.db2.gz	AJPREFPZMZZYCK-UHFFFAOYSA-N	-2	3	312.329	1.535	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](C)C(=O)[O-]	ZINC000133179060	354107440	/nfs/dbraw/zinc/10/74/40/354107440.db2.gz	MZOQBRZCLOEIIS-HTQZYQBOSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000274924264	212035917	/nfs/dbraw/zinc/03/59/17/212035917.db2.gz	BKKBMLNHNGGVBO-JTQLQIEISA-N	-2	3	303.286	1.110	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000577473737	308390686	/nfs/dbraw/zinc/39/06/86/308390686.db2.gz	ZWLBWYJECJLLPZ-SFYZADRCSA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1nc(C=Cc2cc(C#N)n(C)c2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000443445209	534868051	/nfs/dbraw/zinc/86/80/51/534868051.db2.gz	QPBWTSPELZQXIN-HYXAFXHYSA-N	-2	3	312.329	1.888	20	30		DDEDHL
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000819733941	606394551	/nfs/dbraw/zinc/39/45/51/606394551.db2.gz	FVBKRBOAILLTIF-UHFFFAOYSA-N	-2	3	321.362	1.028	20	30		DDEDHL
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000819733941	606394552	/nfs/dbraw/zinc/39/45/52/606394552.db2.gz	FVBKRBOAILLTIF-UHFFFAOYSA-N	-2	3	321.362	1.028	20	30		DDEDHL
C=C(C)CO[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000846537161	703293084	/nfs/dbraw/zinc/29/30/84/703293084.db2.gz	FTEAWIGVFOHYIM-UHFFFAOYSA-N	-2	3	319.386	1.699	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)c([O-])c(Cl)c1	ZINC000848135119	703512498	/nfs/dbraw/zinc/51/24/98/703512498.db2.gz	KRHHKHKWXSYLFK-SECBINFHSA-N	-2	3	302.689	1.295	20	30		DDEDHL
C=C(CC(=O)OCCCC)C(=O)NCCCCP(=O)([O-])[O-]	ZINC001184313350	744012669	/nfs/dbraw/zinc/01/26/69/744012669.db2.gz	LNRBRJRAJLZMGK-UHFFFAOYSA-N	-2	3	321.310	1.350	20	30		DDEDHL
COc1cc(C#N)ccc1C(=O)NCCCCP(=O)([O-])[O-]	ZINC001192272884	745740382	/nfs/dbraw/zinc/74/03/82/745740382.db2.gz	LQGIBNOTNAIRTL-UHFFFAOYSA-N	-2	3	312.262	1.255	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)c2ccc(C#N)cc2[O-])[n-]1	ZINC001195741211	746696898	/nfs/dbraw/zinc/69/68/98/746696898.db2.gz	QRMGHFQGUPFTKQ-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)c2ccc(C#N)cc2[O-])c[n-]1	ZINC001195741211	746696900	/nfs/dbraw/zinc/69/69/00/746696900.db2.gz	QRMGHFQGUPFTKQ-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2cc(N)ccc2N)ccc1[O-]	ZINC001210534313	875428070	/nfs/dbraw/zinc/42/80/70/875428070.db2.gz	KCHJFHRDSILXNY-UHFFFAOYSA-N	-2	3	304.331	1.229	20	30		DDEDHL
C#C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C(C)C	ZINC001227598620	883098852	/nfs/dbraw/zinc/09/88/52/883098852.db2.gz	ZANKGRDITUZOSB-LURJTMIESA-N	-2	3	311.139	1.858	20	30		DDEDHL
CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087499193	185227070	/nfs/dbraw/zinc/22/70/70/185227070.db2.gz	ZQHDZXUHHCACBM-MRVPVSSYSA-N	-2	3	316.766	1.601	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)s1	ZINC000596027159	356748955	/nfs/dbraw/zinc/74/89/55/356748955.db2.gz	QJGQBAJNIIUZJR-JTQLQIEISA-N	-2	3	314.388	1.399	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(F)c1	ZINC000548532531	421448188	/nfs/dbraw/zinc/44/81/88/421448188.db2.gz	ZTJVLAVLDOIMHA-MRVPVSSYSA-N	-2	3	322.264	1.084	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000562644010	303881906	/nfs/dbraw/zinc/88/19/06/303881906.db2.gz	WDHULJLFVSGVMY-SFYZADRCSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CCC(CC)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000073837977	696407975	/nfs/dbraw/zinc/40/79/75/696407975.db2.gz	GOBQCPPIVBKJNY-UHFFFAOYSA-N	-2	3	315.395	1.404	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\C2CCC(NC(=O)[O-])CC2)c1[O-]	ZINC000740232171	699788231	/nfs/dbraw/zinc/78/82/31/699788231.db2.gz	PECXTVOHGZZYTL-IDUWFGFVSA-N	-2	3	307.350	1.586	20	30		DDEDHL
C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254553	746557379	/nfs/dbraw/zinc/55/73/79/746557379.db2.gz	MVDCTSZEASWQAD-ZDUSSCGKSA-N	-2	3	317.313	1.743	20	30		DDEDHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)cn1	ZINC001195724538	746677262	/nfs/dbraw/zinc/67/72/62/746677262.db2.gz	KVWOOHUULQSAPJ-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)nc3cn[n-]c32)O1	ZINC001233938121	887475748	/nfs/dbraw/zinc/47/57/48/887475748.db2.gz	AHHNKWDXDZULTI-BONVTDFDSA-N	-2	3	304.350	1.927	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1	ZINC000589169846	354967613	/nfs/dbraw/zinc/96/76/13/354967613.db2.gz	MCRPLOGFFRPSRX-CQSZACIVSA-N	-2	3	320.312	1.296	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1	ZINC000589169846	354967617	/nfs/dbraw/zinc/96/76/17/354967617.db2.gz	MCRPLOGFFRPSRX-CQSZACIVSA-N	-2	3	320.312	1.296	20	30		DDEDHL
CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)C(=O)[O-]	ZINC000595283820	356432745	/nfs/dbraw/zinc/43/27/45/356432745.db2.gz	XGBWOUINQJRBNG-LLVKDONJSA-N	-2	3	319.361	1.530	20	30		DDEDHL
CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000262679712	203378822	/nfs/dbraw/zinc/37/88/22/203378822.db2.gz	SEWYNBJYIGWANJ-SNVBAGLBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274907323	212025076	/nfs/dbraw/zinc/02/50/76/212025076.db2.gz	JNXSWKKXXZPTTO-ZETCQYMHSA-N	-2	3	302.739	1.211	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000563809519	335021324	/nfs/dbraw/zinc/02/13/24/335021324.db2.gz	NYIZUASGKWVWJS-JTQLQIEISA-N	-2	3	301.368	1.162	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1	ZINC000130615976	196096461	/nfs/dbraw/zinc/09/64/61/196096461.db2.gz	ZNAPGCMXKUHARN-UHFFFAOYSA-N	-2	3	300.723	1.107	20	30		DDEDHL
COc1cc([O-])cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1	ZINC000427330543	419638814	/nfs/dbraw/zinc/63/88/14/419638814.db2.gz	LRAFCDQAJNGSAC-UHFFFAOYSA-N	-2	3	319.342	1.777	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000630437964	422104231	/nfs/dbraw/zinc/10/42/31/422104231.db2.gz	KCEDOVKEAWVZOA-MRVPVSSYSA-N	-2	3	304.393	1.403	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000316021973	879248768	/nfs/dbraw/zinc/24/87/68/879248768.db2.gz	JEGFTBPNTSOBEY-SNVBAGLBSA-N	-2	3	305.302	1.663	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000578591026	354709952	/nfs/dbraw/zinc/70/99/52/354709952.db2.gz	NYGKWAJJGJKKDQ-LLVKDONJSA-N	-2	3	315.395	1.237	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000594720569	356296373	/nfs/dbraw/zinc/29/63/73/356296373.db2.gz	QAMUNGRJUIVJQF-UHFFFAOYSA-N	-2	3	322.433	1.429	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)[O-])c(C(F)(F)F)c1	ZINC000261792708	203118690	/nfs/dbraw/zinc/11/86/90/203118690.db2.gz	CXFRZTDZWVHSEN-UHFFFAOYSA-N	-2	3	322.264	1.330	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000547932059	303561319	/nfs/dbraw/zinc/56/13/19/303561319.db2.gz	USQXRODRBFZYBE-QMMMGPOBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000560492843	332346123	/nfs/dbraw/zinc/34/61/23/332346123.db2.gz	FERUMQAIWQVLGA-SECBINFHSA-N	-2	3	305.302	1.663	20	30		DDEDHL
CC(=NNCCC(=O)[O-])c1ccc(Br)cc1[O-]	ZINC000819726688	597740718	/nfs/dbraw/zinc/74/07/18/597740718.db2.gz	NYXZHKBTAATAIO-UHFFFAOYSA-N	-2	3	301.140	1.943	20	30		DDEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1	ZINC000823958397	608110046	/nfs/dbraw/zinc/11/00/46/608110046.db2.gz	MJZNOADBWCLARP-UHFFFAOYSA-N	-2	3	323.316	1.796	20	30		DDEDHL
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1	ZINC000823958397	608110047	/nfs/dbraw/zinc/11/00/47/608110047.db2.gz	MJZNOADBWCLARP-UHFFFAOYSA-N	-2	3	323.316	1.796	20	30		DDEDHL
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195244060	746553987	/nfs/dbraw/zinc/55/39/87/746553987.db2.gz	CPBMMIXRORRDNY-UHFFFAOYSA-N	-2	3	303.286	1.355	20	30		DDEDHL
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593258050	355834665	/nfs/dbraw/zinc/83/46/65/355834665.db2.gz	YOXLGURISVACJI-VIFPVBQESA-N	-2	3	316.404	1.932	20	30		DDEDHL
C=CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000280362154	409299229	/nfs/dbraw/zinc/29/92/29/409299229.db2.gz	BVAPRJCEAQKONS-UHFFFAOYSA-N	-2	3	305.302	1.908	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)c(F)c1F	ZINC000629305124	422596630	/nfs/dbraw/zinc/59/66/30/422596630.db2.gz	WZUCTNINDGIXBX-VIFPVBQESA-N	-2	3	319.329	1.971	20	30		DDEDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000582590661	337110662	/nfs/dbraw/zinc/11/06/62/337110662.db2.gz	UPRBRXGARIDDSO-JTQLQIEISA-N	-2	3	314.338	1.477	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCC(=O)[O-]	ZINC000820927795	598165178	/nfs/dbraw/zinc/16/51/78/598165178.db2.gz	KJDMOWRRRAHREZ-UHFFFAOYSA-N	-2	3	319.361	1.579	20	30		DDEDHL
C=C1CCC(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1	ZINC000903510138	711159649	/nfs/dbraw/zinc/15/96/49/711159649.db2.gz	DJLRKTWDAXOQRC-UHFFFAOYSA-N	-2	3	316.404	1.866	20	30		DDEDHL
COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)[C@@H](C)C#N)c1[O-]	ZINC001193151738	745998009	/nfs/dbraw/zinc/99/80/09/745998009.db2.gz	SYBDCZFNPRRZCO-LURJTMIESA-N	-2	3	318.738	1.486	20	30		DDEDHL
CC(C)(C)OC(=O)N1C[C@H](OCCP(=O)([O-])[O-])C[C@H]1C#N	ZINC001224602473	881464233	/nfs/dbraw/zinc/46/42/33/881464233.db2.gz	RKZAYLIQYUOPSA-VHSXEESVSA-N	-2	3	320.282	1.082	20	30		DDEDHL
C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261256	355836438	/nfs/dbraw/zinc/83/64/38/355836438.db2.gz	FKZDIKVCLVEAOL-ZYHUDNBSSA-N	-2	3	314.388	1.541	20	30		DDEDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252008	355833237	/nfs/dbraw/zinc/83/32/37/355833237.db2.gz	UIDSHPMMWJGPCQ-MRVPVSSYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCC(=O)[O-]	ZINC000261720141	203101194	/nfs/dbraw/zinc/10/11/94/203101194.db2.gz	QXUGLTNUXYOWDK-UHFFFAOYSA-N	-2	3	302.739	1.355	20	30		DDEDHL
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000414327108	224322346	/nfs/dbraw/zinc/32/23/46/224322346.db2.gz	MHESCUHCBMOELO-WPRPVWTQSA-N	-2	3	314.388	1.807	20	30		DDEDHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000534063947	421685294	/nfs/dbraw/zinc/68/52/94/421685294.db2.gz	WSURHGBJZHIEDZ-UFBFGSQYSA-N	-2	3	314.338	1.475	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)s1	ZINC000578949446	422675372	/nfs/dbraw/zinc/67/53/72/422675372.db2.gz	HFIDIXCNVGRNPM-UHFFFAOYSA-N	-2	3	312.328	1.389	20	30		DDEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833374016	605249119	/nfs/dbraw/zinc/24/91/19/605249119.db2.gz	NPJPVOWJOVJRBD-QMMMGPOBSA-N	-2	3	301.368	1.439	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000826461650	608110469	/nfs/dbraw/zinc/11/04/69/608110469.db2.gz	CIIDVWIRQRPQEF-UHFFFAOYSA-N	-2	3	309.289	1.406	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000864449749	706172909	/nfs/dbraw/zinc/17/29/09/706172909.db2.gz	VJCPHMHDKNAXFG-JTQLQIEISA-N	-2	3	323.292	1.802	20	30		DDEDHL
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195257233	746558268	/nfs/dbraw/zinc/55/82/68/746558268.db2.gz	CXHKNSWHPNBRQZ-SSDOTTSWSA-N	-2	3	318.301	1.634	20	30		DDEDHL
O=C1C=C[C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1	ZINC001227596220	843598030	/nfs/dbraw/zinc/59/80/30/843598030.db2.gz	JCCKNKMRZUXVGG-YFKPBYRVSA-N	-2	3	311.095	1.097	20	30		DDEDHL
C#CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223498	898539178	/nfs/dbraw/zinc/53/91/78/898539178.db2.gz	DHYCZZNNPYRJHF-UHFFFAOYSA-N	-2	3	305.714	1.479	20	30		DDEDHL
CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593257976	355834778	/nfs/dbraw/zinc/83/47/78/355834778.db2.gz	XHQKNGIGMVBCTR-MRVPVSSYSA-N	-2	3	316.404	1.787	20	30		DDEDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593260353	355836150	/nfs/dbraw/zinc/83/61/50/355836150.db2.gz	URHWDDBDNKVIQD-LLVKDONJSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000594720498	356296205	/nfs/dbraw/zinc/29/62/05/356296205.db2.gz	OAKRZPPHBIKANF-UHFFFAOYSA-N	-2	3	305.377	1.565	20	30		DDEDHL
CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000262434898	203293983	/nfs/dbraw/zinc/29/39/83/203293983.db2.gz	FYRUNLXPEMTPIJ-NSHDSACASA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000516954875	421583472	/nfs/dbraw/zinc/58/34/72/421583472.db2.gz	DIKIDYJVFZQONX-QMMMGPOBSA-N	-2	3	305.302	1.663	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547931551	303561224	/nfs/dbraw/zinc/56/12/24/303561224.db2.gz	DBAUOVRUFIFIHL-QMMMGPOBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-]	ZINC000668136328	484979604	/nfs/dbraw/zinc/97/96/04/484979604.db2.gz	IYSDQFRNMPTITD-NXEZZACHSA-N	-2	3	313.379	1.088	20	30		DDEDHL
COc1cc(C=NNCCC(=O)[O-])cc(Br)c1[O-]	ZINC000820763780	597740117	/nfs/dbraw/zinc/74/01/17/597740117.db2.gz	AFUJAKYPYGLGLR-UHFFFAOYSA-N	-2	3	317.139	1.562	20	30		DDEDHL
Cc1oc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000833027838	601217095	/nfs/dbraw/zinc/21/70/95/601217095.db2.gz	YJBQINGQGJCVEU-UHFFFAOYSA-N	-2	3	320.326	1.636	20	30		DDEDHL
Cc1cc(Br)c([O-])c(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814232552	702500026	/nfs/dbraw/zinc/50/00/26/702500026.db2.gz	BIXSSGHBUCFTCS-UHFFFAOYSA-N	-2	3	313.111	1.348	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2[n-]c(=S)oc2c1	ZINC000820470887	704285237	/nfs/dbraw/zinc/28/52/37/704285237.db2.gz	IDJBETZLSJBZPK-VIFPVBQESA-N	-2	3	307.331	1.227	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cnc1Cl	ZINC000905991683	712213077	/nfs/dbraw/zinc/21/30/77/712213077.db2.gz	DRVWSJVNTPQZDY-VIFPVBQESA-N	-2	3	318.782	1.741	20	30		DDEDHL
N#Cc1cccc(CCC(=O)NCCCCP(=O)([O-])[O-])c1	ZINC001182341484	743575452	/nfs/dbraw/zinc/57/54/52/743575452.db2.gz	OKAKYXOYPTXLOD-UHFFFAOYSA-N	-2	3	310.290	1.565	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000548266879	421416466	/nfs/dbraw/zinc/41/64/66/421416466.db2.gz	KBAQRVCAPUTLJM-LBPRGKRZSA-N	-2	3	312.322	1.229	20	30		DDEDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547886979	303557890	/nfs/dbraw/zinc/55/78/90/303557890.db2.gz	KZSNBLOSKRVCTA-CYBMUJFWSA-N	-2	3	314.338	1.477	20	30		DDEDHL
CN1CCC(C#N)(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1	ZINC000739725052	602849232	/nfs/dbraw/zinc/84/92/32/602849232.db2.gz	LKDPJCHYDCSJDI-UHFFFAOYSA-N	-2	3	318.333	1.200	20	30		DDEDHL
C#C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C(C)C	ZINC001227598629	883097605	/nfs/dbraw/zinc/09/76/05/883097605.db2.gz	ZANKGRDITUZOSB-ZCFIWIBFSA-N	-2	3	311.139	1.858	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000262667148	407895683	/nfs/dbraw/zinc/89/56/83/407895683.db2.gz	NUMIVQCLLWFGPO-JTQLQIEISA-N	-2	3	316.766	1.743	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000274932527	408567875	/nfs/dbraw/zinc/56/78/75/408567875.db2.gz	CQVWYTUFZIIUJX-JTQLQIEISA-N	-2	3	321.276	1.249	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1	ZINC000548589733	421451842	/nfs/dbraw/zinc/45/18/42/421451842.db2.gz	FEXAQCAPCFZJIF-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](C)C(=O)[O-]	ZINC000562644009	421391444	/nfs/dbraw/zinc/39/14/44/421391444.db2.gz	WDHULJLFVSGVMY-JGVFFNPUSA-N	-2	3	316.766	1.599	20	30		DDEDHL
C=CCCC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000663434787	423823665	/nfs/dbraw/zinc/82/36/65/423823665.db2.gz	FUJXJXITKPQYSY-UHFFFAOYSA-N	-2	3	304.393	1.864	20	30		DDEDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000548592830	307778189	/nfs/dbraw/zinc/77/81/89/307778189.db2.gz	DYBQGBOWQOQTOK-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000050392026	601233176	/nfs/dbraw/zinc/23/31/76/601233176.db2.gz	RXYBVGMOUXCZRR-ZCFIWIBFSA-N	-2	3	304.274	1.243	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H]2CNC(=O)[O-])c1[O-]	ZINC000740231491	603317186	/nfs/dbraw/zinc/31/71/86/603317186.db2.gz	LSFXFTFJKANCQL-KPPCWJEVSA-N	-2	3	307.350	1.443	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)NC(=O)[O-]	ZINC000829821316	603609688	/nfs/dbraw/zinc/60/96/88/603609688.db2.gz	QBJJXGDIRFJKAM-MRVPVSSYSA-N	-2	3	321.333	1.408	20	30		DDEDHL
O=C([O-])N[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000834169344	605858532	/nfs/dbraw/zinc/85/85/32/605858532.db2.gz	LZLFHKIBGBAQOX-LLVKDONJSA-N	-2	3	311.363	1.282	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2ccccc2-c2nn[n-]n2)nc1	ZINC000826462278	608110424	/nfs/dbraw/zinc/11/04/24/608110424.db2.gz	SYVTYSVBZPZIAM-UHFFFAOYSA-N	-2	3	309.289	1.406	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/C2CCC(NC(=O)[O-])CC2)c1[O-]	ZINC000740232175	699788275	/nfs/dbraw/zinc/78/82/75/699788275.db2.gz	PECXTVOHGZZYTL-REZTVBANSA-N	-2	3	307.350	1.586	20	30		DDEDHL
C=C[C@H](C)O[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000846550994	703295834	/nfs/dbraw/zinc/29/58/34/703295834.db2.gz	PNPIMVDHHXQTCB-VIFPVBQESA-N	-2	3	315.333	1.112	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-]	ZINC000594574060	356253309	/nfs/dbraw/zinc/25/33/09/356253309.db2.gz	YGNYESLUSXHMJO-SECBINFHSA-N	-2	3	320.729	1.303	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000298853075	299330030	/nfs/dbraw/zinc/33/00/30/299330030.db2.gz	KOCCEUMFXIMJJM-LURJTMIESA-N	-2	3	322.264	1.328	20	30		DDEDHL
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000270411769	408523750	/nfs/dbraw/zinc/52/37/50/408523750.db2.gz	CHBMTGQXHUFULR-ZETCQYMHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000399719190	331484343	/nfs/dbraw/zinc/48/43/43/331484343.db2.gz	HQVDPPYIJZUFNX-KCJUWKMLSA-N	-2	3	316.404	1.643	20	30		DDEDHL
C=CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOCC1	ZINC000656720786	484297639	/nfs/dbraw/zinc/29/76/39/484297639.db2.gz	BULHKQQELJNWJK-UHFFFAOYSA-N	-2	3	315.347	1.381	20	30		DDEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1c(C)ccc(C(=O)OC)c1[O-]	ZINC000416968550	529270410	/nfs/dbraw/zinc/27/04/10/529270410.db2.gz	YREMXCOTFHMKIN-VIFPVBQESA-N	-2	3	312.347	1.531	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000776596475	698124764	/nfs/dbraw/zinc/12/47/64/698124764.db2.gz	GGKFZDHKIKNPDL-LLVKDONJSA-N	-2	3	319.329	1.971	20	30		DDEDHL
C[C@H]1C[C@@H](C(=O)[O-])CCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000814816710	701754670	/nfs/dbraw/zinc/75/46/70/701754670.db2.gz	SBLHDZFCULGKLW-AAEUAGOBSA-N	-2	3	324.402	1.983	20	30		DDEDHL
C=C(C)CO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000846539304	703293528	/nfs/dbraw/zinc/29/35/28/703293528.db2.gz	FGBMRLRMZFVURD-UHFFFAOYSA-N	-2	3	324.811	1.304	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1ncc2ccccc2c1[O-]	ZINC000854649179	704433599	/nfs/dbraw/zinc/43/35/99/704433599.db2.gz	RRWQHXSZGSDIJQ-NSHDSACASA-N	-2	3	301.302	1.050	20	30		DDEDHL
N#Cc1ccccc1C1(C(=O)NCCCCP(=O)([O-])[O-])CC1	ZINC001183294086	743815303	/nfs/dbraw/zinc/81/53/03/743815303.db2.gz	ZITZGWPTNKQLAW-UHFFFAOYSA-N	-2	3	322.301	1.664	20	30		DDEDHL
C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cn[n-]c21	ZINC001233933887	887472214	/nfs/dbraw/zinc/47/22/14/887472214.db2.gz	DXGPRTCTPOZOSQ-MRVPVSSYSA-N	-2	3	306.322	1.311	20	30		DDEDHL
COc1ncc(-c2cccc(/C=N/[O-])c2)cc1[N-]S(C)(=O)=O	ZINC001244794483	891932361	/nfs/dbraw/zinc/93/23/61/891932361.db2.gz	PTULQKPEPAOHIR-LZYBPNLTSA-N	-2	3	321.358	1.937	20	30		DDEDHL
N#Cc1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(C(N)=O)c1	ZINC001258290274	898129474	/nfs/dbraw/zinc/12/94/74/898129474.db2.gz	NHPHQCUUZIZLNR-UHFFFAOYSA-N	-2	3	317.326	1.164	20	30		DDEDHL
C=CCS(=O)(=O)[N-]c1c(C)c([O-])c(C(=O)OCC)cc1C#N	ZINC001259929981	898946765	/nfs/dbraw/zinc/94/67/65/898946765.db2.gz	CVYHZBJTMYHGPP-UHFFFAOYSA-N	-2	3	324.358	1.677	20	30		DDEDHL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccsc2C#N)CC1	ZINC000593273307	355842301	/nfs/dbraw/zinc/84/23/01/355842301.db2.gz	GUBRLGXPMBCTFU-SSDOTTSWSA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC[C@H](C(=O)[O-])N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000593922065	356062300	/nfs/dbraw/zinc/06/23/00/356062300.db2.gz	ADIPTELKFQCAMK-CYBMUJFWSA-N	-2	3	319.361	1.530	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)cccc1F	ZINC000562651926	421391754	/nfs/dbraw/zinc/39/17/54/421391754.db2.gz	VGVNPTWELFGJFO-SNVBAGLBSA-N	-2	3	301.339	1.832	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnccc1OCC	ZINC000574759543	422173698	/nfs/dbraw/zinc/17/36/98/422173698.db2.gz	JEILKOLWQXUSSX-JTQLQIEISA-N	-2	3	314.363	1.178	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000646041009	423305079	/nfs/dbraw/zinc/30/50/79/423305079.db2.gz	GYWCISUFSWXNKW-VIFPVBQESA-N	-2	3	303.311	1.142	20	30		DDEDHL
N#Cc1nc(NC(=O)Cc2ccc([O-])cc2Cl)[n-]c1C#N	ZINC000162713855	298201529	/nfs/dbraw/zinc/20/15/29/298201529.db2.gz	OZLBRRJSXBKZAE-UHFFFAOYSA-N	-2	3	301.693	1.693	20	30		DDEDHL
N#Cc1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)nc1	ZINC000739105373	600539541	/nfs/dbraw/zinc/53/95/41/600539541.db2.gz	LNLYKRGJZWAHHM-UHFFFAOYSA-N	-2	3	317.330	1.464	20	30		DDEDHL
C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000184988233	697511852	/nfs/dbraw/zinc/51/18/52/697511852.db2.gz	HFXHAEHICOMVSK-LURJTMIESA-N	-2	3	304.274	1.101	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854648863	704433649	/nfs/dbraw/zinc/43/36/49/704433649.db2.gz	LNZLUYBZMFHMPY-MRVPVSSYSA-N	-2	3	307.331	1.227	20	30		DDEDHL
CC(C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195248363	746555979	/nfs/dbraw/zinc/55/59/79/746555979.db2.gz	HUKODZYPMJRDFL-UHFFFAOYSA-N	-2	3	304.274	1.243	20	30		DDEDHL
COC(=O)CCCCS(=O)(=O)[N-]c1ccc([O-])cc1C#N	ZINC001196957955	747020780	/nfs/dbraw/zinc/02/07/80/747020780.db2.gz	BHBUNIQOXIEMAX-UHFFFAOYSA-N	-2	3	312.347	1.349	20	30		DDEDHL
C=CCOCC(COCC=C)OCCCCP(=O)([O-])[O-]	ZINC001225022681	881642087	/nfs/dbraw/zinc/64/20/87/881642087.db2.gz	QEKCYDDINXEBFT-UHFFFAOYSA-N	-2	3	308.311	1.735	20	30		DDEDHL
N#Cc1cccc(O[N-]C(=O)CNC(=O)c2ccc([O-])cc2)c1	ZINC001306885847	871376527	/nfs/dbraw/zinc/37/65/27/871376527.db2.gz	XFIMMLMSKOHNMA-UHFFFAOYSA-N	-2	3	311.297	1.104	20	30		DDEDHL
C#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1	ZINC001259223664	898538810	/nfs/dbraw/zinc/53/88/10/898538810.db2.gz	IKZOLANLIYWJDR-UHFFFAOYSA-N	-2	3	317.725	1.621	20	30		DDEDHL
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259221320	898539940	/nfs/dbraw/zinc/53/99/40/898539940.db2.gz	BBDVBOIRHIXKMB-UHFFFAOYSA-N	-2	3	319.741	1.869	20	30		DDEDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000297157070	409827560	/nfs/dbraw/zinc/82/75/60/409827560.db2.gz	JKYHEPHTRPHYOH-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275069169	278493904	/nfs/dbraw/zinc/49/39/04/278493904.db2.gz	KYUGBVQAOBEGOL-NSHDSACASA-N	-2	3	314.338	1.475	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000560492844	332346094	/nfs/dbraw/zinc/34/60/94/332346094.db2.gz	FERUMQAIWQVLGA-VIFPVBQESA-N	-2	3	305.302	1.663	20	30		DDEDHL
C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC	ZINC000574874229	341771398	/nfs/dbraw/zinc/77/13/98/341771398.db2.gz	MHGSWAKBXRYHRD-MRVPVSSYSA-N	-2	3	317.338	1.775	20	30		DDEDHL
C=CCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC	ZINC000161661841	484074654	/nfs/dbraw/zinc/07/46/54/484074654.db2.gz	GRXYYSMTBBUCTE-UHFFFAOYSA-N	-2	3	319.766	1.901	20	30		DDEDHL
Cc1cc(-c2nn[n-]n2)ccc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000826243386	607399216	/nfs/dbraw/zinc/39/92/16/607399216.db2.gz	HBZSZUSRPDYSHX-LBPRGKRZSA-N	-2	3	312.333	1.022	20	30		DDEDHL
C=C(Cl)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000825647383	601216659	/nfs/dbraw/zinc/21/66/59/601216659.db2.gz	LVIPGSKZALGCQJ-UHFFFAOYSA-N	-2	3	311.768	1.486	20	30		DDEDHL
Cc1nnc([S-])n(N=Cc2ccc3ccccc3c2[O-])c1=O	ZINC000814724668	701742624	/nfs/dbraw/zinc/74/26/24/701742624.db2.gz	VYLKLEHZIRJKKV-UHFFFAOYSA-N	-2	3	312.354	1.976	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Sc2ccccn2)o1	ZINC000814232239	702500043	/nfs/dbraw/zinc/50/00/43/702500043.db2.gz	OSFKOZDBLXVABS-UHFFFAOYSA-N	-2	3	303.303	1.711	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC000844806769	703075423	/nfs/dbraw/zinc/07/54/23/703075423.db2.gz	XKXUCDMLKUFWLS-SSDOTTSWSA-N	-2	3	322.745	1.572	20	30		DDEDHL
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccc([O-])cc1	ZINC001195766178	746691332	/nfs/dbraw/zinc/69/13/32/746691332.db2.gz	JISNRYOGNFIILD-UHFFFAOYSA-N	-2	3	315.314	1.107	20	30		DDEDHL
C=C[C@@H]1O[C@H](OCCCCP(=O)([O-])[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001225020421	881641465	/nfs/dbraw/zinc/64/14/65/881641465.db2.gz	NVJZJHCLCXQZFB-BJDJZHNGSA-N	-2	3	322.294	1.392	20	30		DDEDHL
CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593257977	355834587	/nfs/dbraw/zinc/83/45/87/355834587.db2.gz	XHQKNGIGMVBCTR-QMMMGPOBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000596090044	356768931	/nfs/dbraw/zinc/76/89/31/356768931.db2.gz	LLIRYIUYLNBJQY-UHFFFAOYSA-N	-2	3	319.404	1.874	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000262679145	203377899	/nfs/dbraw/zinc/37/78/99/203377899.db2.gz	SEWYNBJYIGWANJ-JTQLQIEISA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CC1	ZINC000566313591	421604788	/nfs/dbraw/zinc/60/47/88/421604788.db2.gz	YDZPVDVURJCOJF-UHFFFAOYSA-N	-2	3	310.331	1.526	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2[O-])CC1	ZINC000566313591	421604790	/nfs/dbraw/zinc/60/47/90/421604790.db2.gz	YDZPVDVURJCOJF-UHFFFAOYSA-N	-3	3	310.331	1.526	20	30		DDEDHL
C=CCOCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000663428601	423819063	/nfs/dbraw/zinc/81/90/63/423819063.db2.gz	TVCCANOWZGXXFC-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
Cc1cc(-c2nn[n-]n2)ccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000826243346	607397718	/nfs/dbraw/zinc/39/77/18/607397718.db2.gz	FBTGYWUSPFSNLA-ZDUSSCGKSA-N	-2	3	324.344	1.120	20	30		DDEDHL
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000814816713	701754262	/nfs/dbraw/zinc/75/42/62/701754262.db2.gz	SBLHDZFCULGKLW-YPMHNXCESA-N	-2	3	324.402	1.983	20	30		DDEDHL
N#Cc1cc(NC(=O)c2ccccc2-c2nnn[n-]2)c([O-])cc1F	ZINC001187007068	744483226	/nfs/dbraw/zinc/48/32/26/744483226.db2.gz	PSPXHOYFPRKNQJ-UHFFFAOYSA-N	-2	3	324.275	1.835	20	30		DDEDHL
N#Cc1cc(NC(=O)c2ccccc2-c2nn[n-]n2)c([O-])cc1F	ZINC001187007068	744483229	/nfs/dbraw/zinc/48/32/29/744483229.db2.gz	PSPXHOYFPRKNQJ-UHFFFAOYSA-N	-2	3	324.275	1.835	20	30		DDEDHL
C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C(C)(C)O1	ZINC001233940181	887479102	/nfs/dbraw/zinc/47/91/02/887479102.db2.gz	STFBVEZIXCOJPF-MEBBXXQBSA-N	-2	3	304.350	1.927	20	30		DDEDHL
C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261254	355836621	/nfs/dbraw/zinc/83/66/21/355836621.db2.gz	FKZDIKVCLVEAOL-JQWIXIFHSA-N	-2	3	314.388	1.541	20	30		DDEDHL
CC[C@@H](C(=O)[O-])N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000593922066	356062404	/nfs/dbraw/zinc/06/24/04/356062404.db2.gz	ADIPTELKFQCAMK-ZDUSSCGKSA-N	-2	3	319.361	1.530	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000274944020	408572216	/nfs/dbraw/zinc/57/22/16/408572216.db2.gz	FMZUXVPNCYYPLA-ZETCQYMHSA-N	-2	3	307.780	1.546	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[O-]	ZINC000442800795	420718694	/nfs/dbraw/zinc/71/86/94/420718694.db2.gz	KQDUTLSQQSOXEU-UHFFFAOYSA-N	-2	3	311.223	1.331	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[O-]	ZINC000442800795	420718696	/nfs/dbraw/zinc/71/86/96/420718696.db2.gz	KQDUTLSQQSOXEU-UHFFFAOYSA-N	-2	3	311.223	1.331	20	30		DDEDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000560077706	421233739	/nfs/dbraw/zinc/23/37/39/421233739.db2.gz	JFIMCXUOXCWCFP-LLVKDONJSA-N	-2	3	314.338	1.619	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000514661786	421444197	/nfs/dbraw/zinc/44/41/97/421444197.db2.gz	UTDFCHSFXVBFJT-KCJUWKMLSA-N	-2	3	312.322	1.229	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](C)C(=O)[O-]	ZINC000577473740	308390705	/nfs/dbraw/zinc/39/07/05/308390705.db2.gz	ZWLBWYJECJLLPZ-YUMQZZPRSA-N	-2	3	316.766	1.599	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)ccc1F	ZINC000556714878	331726951	/nfs/dbraw/zinc/72/69/51/331726951.db2.gz	XQUAIPQYIVZUHB-JTQLQIEISA-N	-2	3	301.339	1.832	20	30		DDEDHL
C=CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000656724870	484301360	/nfs/dbraw/zinc/30/13/60/484301360.db2.gz	VGPXHLHLAOWVRX-UHFFFAOYSA-N	-2	3	305.377	1.317	20	30		DDEDHL
N#Cc1ccc(OCC(=O)NCCCCP(=O)([O-])[O-])cc1	ZINC001182916771	743751801	/nfs/dbraw/zinc/75/18/01/743751801.db2.gz	IDNMVWRFILFDDJ-UHFFFAOYSA-N	-2	3	312.262	1.011	20	30		DDEDHL
CC(C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259221846	898540200	/nfs/dbraw/zinc/54/02/00/898540200.db2.gz	WVCMLWDYUCUTCO-UHFFFAOYSA-N	-2	3	320.729	1.758	20	30		DDEDHL
CC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000087500046	185226854	/nfs/dbraw/zinc/22/68/54/185226854.db2.gz	OWWYAOHMCNJPON-QMMMGPOBSA-N	-2	3	300.311	1.086	20	30		DDEDHL
CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593272331	355841398	/nfs/dbraw/zinc/84/13/98/355841398.db2.gz	CYXSDIXZZUVZOS-VIFPVBQESA-N	-2	3	316.404	1.645	20	30		DDEDHL
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000130613643	196095444	/nfs/dbraw/zinc/09/54/44/196095444.db2.gz	OLPQGTQWHMMNDM-ZETCQYMHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H](C)C(=O)[O-]	ZINC000518110658	421638799	/nfs/dbraw/zinc/63/87/99/421638799.db2.gz	PVKQCKZVDJRNPM-YUMQZZPRSA-N	-2	3	300.311	1.085	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)s1	ZINC000514815861	268256661	/nfs/dbraw/zinc/25/66/61/268256661.db2.gz	DKNGZVQYWLYLCO-LURJTMIESA-N	-2	3	324.330	1.254	20	30		DDEDHL
C=CCCCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000565224841	332648988	/nfs/dbraw/zinc/64/89/88/332648988.db2.gz	NUBXDKHHZGQEEZ-UHFFFAOYSA-N	-2	3	304.393	1.866	20	30		DDEDHL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2[O-])CCCC1	ZINC000548521502	341265521	/nfs/dbraw/zinc/26/55/21/341265521.db2.gz	KPNDBVNITNAWHL-UHFFFAOYSA-N	-3	3	324.358	1.916	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000820543961	704297277	/nfs/dbraw/zinc/29/72/77/704297277.db2.gz	BXWCSRDZJJNHRX-VIFPVBQESA-N	-2	3	319.144	1.809	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)C(=O)[O-]	ZINC000926453359	715069052	/nfs/dbraw/zinc/06/90/52/715069052.db2.gz	JNCFWNDFEGRJOL-SECBINFHSA-N	-2	3	321.301	1.281	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185047526	744150592	/nfs/dbraw/zinc/15/05/92/744150592.db2.gz	HPLQLUFNHXOACM-UHFFFAOYSA-N	-2	3	310.722	1.508	20	30		DDEDHL
N#Cc1cccnc1N1CCC(OCCP(=O)([O-])[O-])CC1	ZINC001224602976	881463016	/nfs/dbraw/zinc/46/30/16/881463016.db2.gz	ULXSLYJYRCKQPB-UHFFFAOYSA-N	-2	3	311.278	1.116	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000133271450	354108391	/nfs/dbraw/zinc/10/83/91/354108391.db2.gz	CYFVRZCDUQZTAH-SFYZADRCSA-N	-2	3	316.766	1.599	20	30		DDEDHL
C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC	ZINC000574874237	422200275	/nfs/dbraw/zinc/20/02/75/422200275.db2.gz	MHGSWAKBXRYHRD-QMMMGPOBSA-N	-2	3	317.338	1.775	20	30		DDEDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000391678730	336960205	/nfs/dbraw/zinc/96/02/05/336960205.db2.gz	OUFFYDJOECNQLO-QMMMGPOBSA-N	-2	3	302.377	1.541	20	30		DDEDHL
O=C([O-])C1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1	ZINC000814816852	598097060	/nfs/dbraw/zinc/09/70/60/598097060.db2.gz	ZEAMHMHSQSYDJQ-UHFFFAOYSA-N	-2	3	310.375	1.737	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1c(F)ccc(Br)c1F	ZINC000814232264	702500328	/nfs/dbraw/zinc/50/03/28/702500328.db2.gz	PMPDHFVQAZRLIC-UHFFFAOYSA-N	-2	3	319.065	1.612	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC000844806770	703075493	/nfs/dbraw/zinc/07/54/93/703075493.db2.gz	XKXUCDMLKUFWLS-ZETCQYMHSA-N	-2	3	322.745	1.572	20	30		DDEDHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000863419999	705924291	/nfs/dbraw/zinc/92/42/91/705924291.db2.gz	GQUREPIAMWUFER-QMMMGPOBSA-N	-2	3	308.743	1.166	20	30		DDEDHL
C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1[O-]	ZINC000087049260	873117847	/nfs/dbraw/zinc/11/78/47/873117847.db2.gz	ZXGMFSSDPKUVQE-ZCFIWIBFSA-N	-2	3	305.153	1.808	20	30		DDEDHL
C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(=O)[n-]c(=O)[n-]1	ZINC001227569296	883085994	/nfs/dbraw/zinc/08/59/94/883085994.db2.gz	YNCQTVLEPWRHMN-SECBINFHSA-N	-2	3	324.337	1.227	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1[O-]	ZINC001362740084	884523205	/nfs/dbraw/zinc/52/32/05/884523205.db2.gz	HYEDYZUMBMNTAF-UHFFFAOYSA-N	-2	3	324.340	1.957	20	30		DDEDHL
N#Cc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cc1[O-]	ZINC000615427445	362283852	/nfs/dbraw/zinc/28/38/52/362283852.db2.gz	UDFYLWZASMXIKO-AWEZNQCLSA-N	-2	3	320.312	1.296	20	30		DDEDHL
N#Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1[O-]	ZINC000615427445	362283856	/nfs/dbraw/zinc/28/38/56/362283856.db2.gz	UDFYLWZASMXIKO-AWEZNQCLSA-N	-2	3	320.312	1.296	20	30		DDEDHL
CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322714	354325935	/nfs/dbraw/zinc/32/59/35/354325935.db2.gz	WKSBMADXZRQIJB-MRVPVSSYSA-N	-2	3	320.417	1.104	20	30		DDEDHL
C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126035913	407403561	/nfs/dbraw/zinc/40/35/61/407403561.db2.gz	FMVYCVXUXPYIMF-ZETCQYMHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547707099	421356449	/nfs/dbraw/zinc/35/64/49/421356449.db2.gz	DSQVUKVLSOKTLJ-LLVKDONJSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000654787595	423910157	/nfs/dbraw/zinc/91/01/57/423910157.db2.gz	OGEWTHBHODWNQY-JTQLQIEISA-N	-2	3	315.395	1.241	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656155990	483982355	/nfs/dbraw/zinc/98/23/55/483982355.db2.gz	OAWOAMFZINPQRJ-QMMMGPOBSA-N	-2	3	303.311	1.142	20	30		DDEDHL
C#CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000229818330	601239014	/nfs/dbraw/zinc/23/90/14/601239014.db2.gz	BNDFGOIVGBXRGU-UHFFFAOYSA-N	-2	3	303.286	1.355	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)nc1	ZINC000826461933	608110647	/nfs/dbraw/zinc/11/06/47/608110647.db2.gz	KISXOLSKMUDQMR-UHFFFAOYSA-N	-2	3	315.318	1.467	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000864449750	706172935	/nfs/dbraw/zinc/17/29/35/706172935.db2.gz	VJCPHMHDKNAXFG-SNVBAGLBSA-N	-2	3	323.292	1.802	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000864452879	706174062	/nfs/dbraw/zinc/17/40/62/706174062.db2.gz	UAQSWPWTXMRZGI-VIFPVBQESA-N	-2	3	322.745	1.572	20	30		DDEDHL
CSc1ncc(C(=O)Nc2ccc([O-])c(C#N)c2)c(=O)[n-]1	ZINC001191438423	745512895	/nfs/dbraw/zinc/51/28/95/745512895.db2.gz	UEWSYTWFIHGIQB-UHFFFAOYSA-N	-2	3	302.315	1.734	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCC(=O)[O-]	ZINC000261874911	407651238	/nfs/dbraw/zinc/65/12/38/407651238.db2.gz	RQFKCRPYFMMLPG-UHFFFAOYSA-N	-2	3	302.739	1.355	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)s1	ZINC000514815873	268255603	/nfs/dbraw/zinc/25/56/03/268255603.db2.gz	DKNGZVQYWLYLCO-ZCFIWIBFSA-N	-2	3	324.330	1.254	20	30		DDEDHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000566241176	308051228	/nfs/dbraw/zinc/05/12/28/308051228.db2.gz	ULHATKAQXIPCOT-JTQLQIEISA-N	-2	3	316.404	1.787	20	30		DDEDHL
C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000054156589	601239017	/nfs/dbraw/zinc/23/90/17/601239017.db2.gz	HIYUHDWYBXFMOC-LURJTMIESA-N	-2	3	304.274	1.101	20	30		DDEDHL
Cc1ncc(CO)c(C=NNc2cccc(C(=O)[O-])c2)c1[O-]	ZINC000916255165	713448570	/nfs/dbraw/zinc/44/85/70/713448570.db2.gz	GUTLTJHTZISGHY-UHFFFAOYSA-N	-2	3	301.302	1.732	20	30		DDEDHL
C[C@H](C#N)S(=O)(=O)[N-]c1c([O-])cccc1Br	ZINC001193146006	745995736	/nfs/dbraw/zinc/99/57/36/745995736.db2.gz	FJJJDXRDHCWEAK-ZCFIWIBFSA-N	-2	3	305.153	1.808	20	30		DDEDHL
N#Cc1ccccc1NC(=S)NCCCCP(=O)([O-])[O-]	ZINC001196337765	746835617	/nfs/dbraw/zinc/83/56/17/746835617.db2.gz	FXEINXQAZJRKJT-UHFFFAOYSA-N	-2	3	313.319	1.803	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc([O-])c1Cl	ZINC001226709777	843082423	/nfs/dbraw/zinc/08/24/23/843082423.db2.gz	RXZZGWMBZIXTLT-VIFPVBQESA-N	-2	3	322.766	1.883	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160695257	295846937	/nfs/dbraw/zinc/84/69/37/295846937.db2.gz	QJEYIPINZOOHAN-QMMMGPOBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])s1	ZINC000311340137	354475968	/nfs/dbraw/zinc/47/59/68/354475968.db2.gz	HVXYKCSTZDFDEW-VIFPVBQESA-N	-2	3	300.361	1.151	20	30		DDEDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593265160	355838443	/nfs/dbraw/zinc/83/84/43/355838443.db2.gz	QFWNKANJEPWJDV-QMMMGPOBSA-N	-2	3	302.377	1.541	20	30		DDEDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000391678726	418757351	/nfs/dbraw/zinc/75/73/51/418757351.db2.gz	OUFFYDJOECNQLO-MRVPVSSYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000548588787	421451224	/nfs/dbraw/zinc/45/12/24/421451224.db2.gz	WHRGHCUDQPGGGA-KCJUWKMLSA-N	-2	3	310.306	1.005	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(F)c1	ZINC000535498051	421704321	/nfs/dbraw/zinc/70/43/21/421704321.db2.gz	FSQPYKLJNCZNHF-UHFFFAOYSA-N	-2	3	312.322	1.373	20	30		DDEDHL
Cc1oc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)cc1C(=O)[O-]	ZINC000833029019	602305419	/nfs/dbraw/zinc/30/54/19/602305419.db2.gz	XDTCKRBZVQJSDX-VIFPVBQESA-N	-2	3	300.336	1.503	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c1[O-]	ZINC000740233468	603370885	/nfs/dbraw/zinc/37/08/85/603370885.db2.gz	VSUZHMOOEFIEDD-KJHCXTEWSA-N	-2	3	321.377	1.833	20	30		DDEDHL
C[C@H]1C[C@H](C(=O)[O-])CCC1=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000814816712	701754689	/nfs/dbraw/zinc/75/46/89/701754689.db2.gz	SBLHDZFCULGKLW-WCQYABFASA-N	-2	3	324.402	1.983	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(Cl)ccc1OC(F)F	ZINC000814232708	702500084	/nfs/dbraw/zinc/50/00/84/702500084.db2.gz	IXFUZSWORSYZHE-UHFFFAOYSA-N	-2	3	304.640	1.826	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccc(Br)c(Cl)c1	ZINC000814231589	702500221	/nfs/dbraw/zinc/50/02/21/702500221.db2.gz	JUPCTGYKBSWMFM-UHFFFAOYSA-N	-2	3	317.530	1.987	20	30		DDEDHL
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846550424	703295794	/nfs/dbraw/zinc/29/57/94/703295794.db2.gz	SGONQHMZXGCYJR-WCQYABFASA-N	-2	3	304.346	1.619	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000837293495	707614086	/nfs/dbraw/zinc/61/40/86/707614086.db2.gz	WZCLTLMZAJISTM-MRVPVSSYSA-N	-2	3	304.755	1.433	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000906001024	712217050	/nfs/dbraw/zinc/21/70/50/712217050.db2.gz	MWIGDRBIGFIZGX-SECBINFHSA-N	-2	3	318.782	1.741	20	30		DDEDHL
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126037427	354049906	/nfs/dbraw/zinc/04/99/06/354049906.db2.gz	CAYCNUNKMASPNO-SECBINFHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC000583626449	336002539	/nfs/dbraw/zinc/00/25/39/336002539.db2.gz	SFNFHPCFHGBRCV-KYZUINATSA-N	-2	3	314.750	1.353	20	30		DDEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1	ZINC000342777700	534202705	/nfs/dbraw/zinc/20/27/05/534202705.db2.gz	JLXKDEIXFAYUMF-UHFFFAOYSA-N	-2	3	322.346	1.312	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)NC(=O)[O-]	ZINC000829821317	603610106	/nfs/dbraw/zinc/61/01/06/603610106.db2.gz	QBJJXGDIRFJKAM-QMMMGPOBSA-N	-2	3	321.333	1.408	20	30		DDEDHL
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(F)cc(F)c1[O-]	ZINC000757464783	700663186	/nfs/dbraw/zinc/66/31/86/700663186.db2.gz	GDGHRVFPVZCHQK-UHFFFAOYSA-N	-2	3	320.259	1.252	20	30		DDEDHL
COc1ccc(C#CC(=O)NCCCCP(=O)([O-])[O-])cc1	ZINC001182049487	743461008	/nfs/dbraw/zinc/46/10/08/743461008.db2.gz	HKDMAAGGWMMJCN-UHFFFAOYSA-N	-2	3	311.274	1.121	20	30		DDEDHL
CSc1[n-]nc(NC(=O)CCC(=O)C2=CC=C[CH]2)c1C(N)=O	ZINC001184241735	743999807	/nfs/dbraw/zinc/99/98/07/743999807.db2.gz	YZAQGXLRAMKKHV-UHFFFAOYSA-N	-2	3	319.366	1.219	20	30		DDEDHL
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc([O-])c1Br	ZINC001193161860	746003736	/nfs/dbraw/zinc/00/37/36/746003736.db2.gz	UPDSKHNUZHYDBH-LURJTMIESA-N	-2	3	305.153	1.808	20	30		DDEDHL
N#C[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1	ZINC001198730424	747582104	/nfs/dbraw/zinc/58/21/04/747582104.db2.gz	NDXFYJBVTNCEAJ-CYBMUJFWSA-N	-2	3	316.338	1.928	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc([O-])c1F	ZINC001233871866	846139165	/nfs/dbraw/zinc/13/91/65/846139165.db2.gz	QSCBPGKSSQVXQX-SECBINFHSA-N	-2	3	306.311	1.369	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](C)C(=O)[O-]	ZINC000133179230	354107584	/nfs/dbraw/zinc/10/75/84/354107584.db2.gz	MZOQBRZCLOEIIS-YUMQZZPRSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271587	355841648	/nfs/dbraw/zinc/84/16/48/355841648.db2.gz	KPVPJEQAGAEBFR-QMMMGPOBSA-N	-2	3	302.377	1.541	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271633	355841733	/nfs/dbraw/zinc/84/17/33/355841733.db2.gz	ODDUCQZRXJGOFC-MRVPVSSYSA-N	-2	3	300.361	1.317	20	30		DDEDHL
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000061890138	184192709	/nfs/dbraw/zinc/19/27/09/184192709.db2.gz	ZDFMCLDTTCMFGH-MWLCHTKSSA-N	-2	3	312.322	1.494	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])CC1	ZINC000562440891	421366955	/nfs/dbraw/zinc/36/69/55/421366955.db2.gz	XMOIPYPYRCMPET-UHFFFAOYSA-N	-2	3	312.322	1.959	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC000514936777	421466678	/nfs/dbraw/zinc/46/66/78/421466678.db2.gz	PXPZVJGQZHAQID-SNVBAGLBSA-N	-2	3	314.363	1.178	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1	ZINC000654787596	423909916	/nfs/dbraw/zinc/90/99/16/423909916.db2.gz	OGEWTHBHODWNQY-SNVBAGLBSA-N	-2	3	315.395	1.241	20	30		DDEDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000548592831	307778231	/nfs/dbraw/zinc/77/82/31/307778231.db2.gz	DYBQGBOWQOQTOK-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000571799185	308202457	/nfs/dbraw/zinc/20/24/57/308202457.db2.gz	CFABUGJYWQJAHA-AWEZNQCLSA-N	-2	3	319.361	1.434	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)s1	ZINC000399114731	337313953	/nfs/dbraw/zinc/31/39/53/337313953.db2.gz	CVFCNCZDYXITJJ-SNVBAGLBSA-N	-2	3	300.361	1.151	20	30		DDEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000823387496	607252830	/nfs/dbraw/zinc/25/28/30/607252830.db2.gz	MTRAQMZIKRINNR-UHFFFAOYSA-N	-2	3	322.328	1.689	20	30		DDEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000823387496	607252831	/nfs/dbraw/zinc/25/28/31/607252831.db2.gz	MTRAQMZIKRINNR-UHFFFAOYSA-N	-2	3	322.328	1.689	20	30		DDEDHL
Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(F)c2[O-])o1	ZINC000826322767	607886924	/nfs/dbraw/zinc/88/69/24/607886924.db2.gz	AVHNSKOZYDZCRJ-UHFFFAOYSA-N	-2	3	303.257	1.454	20	30		DDEDHL
C=C(C)CO[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000846539818	703293704	/nfs/dbraw/zinc/29/37/04/703293704.db2.gz	OJBZLMYLKZOSLU-UHFFFAOYSA-N	-2	3	315.333	1.114	20	30		DDEDHL
N#Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1[O-]	ZINC001193505750	746128846	/nfs/dbraw/zinc/12/88/46/746128846.db2.gz	NEKBNNLBOUXDMW-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
N#Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1[O-]	ZINC001193505750	746128849	/nfs/dbraw/zinc/12/88/49/746128849.db2.gz	NEKBNNLBOUXDMW-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160696040	354239869	/nfs/dbraw/zinc/23/98/69/354239869.db2.gz	JNNWRZBZVCMUSU-UHFFFAOYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1	ZINC000593259131	355835315	/nfs/dbraw/zinc/83/53/15/355835315.db2.gz	VSNFREWLVVXXSR-SNVBAGLBSA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000274924266	212036206	/nfs/dbraw/zinc/03/62/06/212036206.db2.gz	BKKBMLNHNGGVBO-SNVBAGLBSA-N	-2	3	303.286	1.110	20	30		DDEDHL
C=CCCS(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O	ZINC000091021072	407174237	/nfs/dbraw/zinc/17/42/37/407174237.db2.gz	FBUBGBISSVSWDS-UHFFFAOYSA-N	-2	3	322.383	1.515	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H](C)C(=O)[O-]	ZINC000518110656	421638342	/nfs/dbraw/zinc/63/83/42/421638342.db2.gz	PVKQCKZVDJRNPM-JGVFFNPUSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-]	ZINC000629295128	422588761	/nfs/dbraw/zinc/58/87/61/422588761.db2.gz	FJGBWDMKLVUJDN-MRVPVSSYSA-N	-2	3	305.302	1.581	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000654787621	423910071	/nfs/dbraw/zinc/91/00/71/423910071.db2.gz	YTSQJIAPSOAIJJ-SECBINFHSA-N	-2	3	301.368	1.231	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@H]2CCCCN(C(=O)[O-])C2)c1[O-]	ZINC000740232732	602748966	/nfs/dbraw/zinc/74/89/66/602748966.db2.gz	SBQPCAPOLBDYAV-SMWBLXLWSA-N	-2	3	307.350	1.539	20	30		DDEDHL
N#Cc1cccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1[O-]	ZINC001193657886	746168741	/nfs/dbraw/zinc/16/87/41/746168741.db2.gz	KGBXQVGUFCNFSP-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1	ZINC001258136128	898080003	/nfs/dbraw/zinc/08/00/03/898080003.db2.gz	NCANHNVRXNJSHN-UHFFFAOYSA-N	-2	3	317.326	1.164	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000593271932	355841426	/nfs/dbraw/zinc/84/14/26/355841426.db2.gz	ZHFNUXMCBQTOMP-SFYZADRCSA-N	-2	3	300.361	1.151	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-]	ZINC000274927286	212039225	/nfs/dbraw/zinc/03/92/25/212039225.db2.gz	BUWWPXFHSWKXMI-SNVBAGLBSA-N	-2	3	319.741	1.624	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000274938931	408569680	/nfs/dbraw/zinc/56/96/80/408569680.db2.gz	DSXHXBBPGDCXEC-QMMMGPOBSA-N	-2	3	300.311	1.229	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000646044660	423309568	/nfs/dbraw/zinc/30/95/68/423309568.db2.gz	RFUIVEKLEXYOPW-JTQLQIEISA-N	-2	3	317.338	1.532	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000656155989	483981893	/nfs/dbraw/zinc/98/18/93/483981893.db2.gz	OAWOAMFZINPQRJ-MRVPVSSYSA-N	-2	3	303.311	1.142	20	30		DDEDHL
C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000050392024	601233074	/nfs/dbraw/zinc/23/30/74/601233074.db2.gz	RXYBVGMOUXCZRR-LURJTMIESA-N	-2	3	304.274	1.243	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000864449760	706172838	/nfs/dbraw/zinc/17/28/38/706172838.db2.gz	VMYSOPORWYVGOB-SNVBAGLBSA-N	-2	3	305.302	1.663	20	30		DDEDHL
CCOC(=O)c1[n-]cnc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241222	743999405	/nfs/dbraw/zinc/99/94/05/743999405.db2.gz	OSEUDHKAYCWKIR-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
CCOC(=O)c1nc[n-]c1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241222	743999409	/nfs/dbraw/zinc/99/94/09/743999409.db2.gz	OSEUDHKAYCWKIR-UHFFFAOYSA-N	-2	3	302.310	1.575	20	30		DDEDHL
CCOC(=O)c1cc(NC(=O)c2cccc(C#N)c2[O-])[n-]n1	ZINC001193634779	746156344	/nfs/dbraw/zinc/15/63/44/746156344.db2.gz	JEYHIQNJPPOAPS-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000560480996	354694719	/nfs/dbraw/zinc/69/47/19/354694719.db2.gz	PSPKUIBAKYISEQ-JTQLQIEISA-N	-2	3	315.395	1.241	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000563809520	335021297	/nfs/dbraw/zinc/02/12/97/335021297.db2.gz	NYIZUASGKWVWJS-SNVBAGLBSA-N	-2	3	301.368	1.162	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-]	ZINC000276455522	408861521	/nfs/dbraw/zinc/86/15/21/408861521.db2.gz	OAONPVLOVOMLTK-MRVPVSSYSA-N	-2	3	321.807	1.855	20	30		DDEDHL
C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130615169	196096432	/nfs/dbraw/zinc/09/64/32/196096432.db2.gz	KJRXTKJIUAYNCW-ZETCQYMHSA-N	-2	3	302.739	1.211	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000548588788	421451013	/nfs/dbraw/zinc/45/10/13/421451013.db2.gz	WHRGHCUDQPGGGA-KWQFWETISA-N	-2	3	310.306	1.005	20	30		DDEDHL
C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000555859163	303725718	/nfs/dbraw/zinc/72/57/18/303725718.db2.gz	RQLNSANUZLSOSJ-MRVPVSSYSA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	ZINC000577346156	308380339	/nfs/dbraw/zinc/38/03/39/308380339.db2.gz	POOUYHFPPFDZAY-UHFFFAOYSA-N	-2	3	314.750	1.355	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC000514936776	337975697	/nfs/dbraw/zinc/97/56/97/337975697.db2.gz	PXPZVJGQZHAQID-JTQLQIEISA-N	-2	3	314.363	1.178	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000832843662	601596810	/nfs/dbraw/zinc/59/68/10/601596810.db2.gz	YYBGLHRUKSRCKL-CQSZACIVSA-N	-2	3	317.345	1.188	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1	ZINC000822833577	606600736	/nfs/dbraw/zinc/60/07/36/606600736.db2.gz	SBVBCMWYSQPEIT-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1	ZINC000822833577	606600737	/nfs/dbraw/zinc/60/07/37/606600737.db2.gz	SBVBCMWYSQPEIT-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
N#C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1	ZINC001227595136	883094566	/nfs/dbraw/zinc/09/45/66/883094566.db2.gz	VRNNHRVUAQUNRA-NTSWFWBYSA-N	-2	3	324.138	1.892	20	30		DDEDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000275014319	212073461	/nfs/dbraw/zinc/07/34/61/212073461.db2.gz	QOFKSSVLDPBHNY-CYBMUJFWSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCCC(=O)[O-]	ZINC000274995535	212064676	/nfs/dbraw/zinc/06/46/76/212064676.db2.gz	ZWLXMQMEAOQCKA-UHFFFAOYSA-N	-2	3	300.311	1.231	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCC(=O)[O-])c1	ZINC000130612550	196095938	/nfs/dbraw/zinc/09/59/38/196095938.db2.gz	DKANXBQMVIEACL-UHFFFAOYSA-N	-2	3	302.739	1.355	20	30		DDEDHL
C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-])C1CC1	ZINC000548992378	421489694	/nfs/dbraw/zinc/48/96/94/421489694.db2.gz	XATAADFJAZZKIZ-CPCISQLKSA-N	-2	3	314.388	1.397	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000516954874	421582562	/nfs/dbraw/zinc/58/25/62/421582562.db2.gz	DIKIDYJVFZQONX-MRVPVSSYSA-N	-2	3	305.302	1.663	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000572695663	421812276	/nfs/dbraw/zinc/81/22/76/421812276.db2.gz	OMNGIHNDXAQGOX-QMMMGPOBSA-N	-2	3	304.393	1.403	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2[O-])c(F)c1	ZINC000530375403	268258438	/nfs/dbraw/zinc/25/84/38/268258438.db2.gz	RYFUCPAQEWZDSO-UHFFFAOYSA-N	-2	3	307.306	1.276	20	30		DDEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547936305	303561729	/nfs/dbraw/zinc/56/17/29/303561729.db2.gz	IYSHPAHWJAHRKB-JTQLQIEISA-N	-2	3	314.338	1.332	20	30		DDEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)[nH]1	ZINC000823386982	607252880	/nfs/dbraw/zinc/25/28/80/607252880.db2.gz	ADMBQHRLGGYRIO-UHFFFAOYSA-N	-2	3	311.305	1.017	20	30		DDEDHL
O=C([O-])c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)[nH]1	ZINC000823386982	607252881	/nfs/dbraw/zinc/25/28/81/607252881.db2.gz	ADMBQHRLGGYRIO-UHFFFAOYSA-N	-2	3	311.305	1.017	20	30		DDEDHL
C=C[C@H](C)O[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000846551796	703295761	/nfs/dbraw/zinc/29/57/61/703295761.db2.gz	XKCPPVUQFNNIAM-ZETCQYMHSA-N	-2	3	324.811	1.302	20	30		DDEDHL
N#Cc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c([O-])c1	ZINC001195759201	746688687	/nfs/dbraw/zinc/68/86/87/746688687.db2.gz	ZCHSDBDDFITNGS-UHFFFAOYSA-N	-2	3	322.280	1.871	20	30		DDEDHL
C#C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223912	898539603	/nfs/dbraw/zinc/53/96/03/898539603.db2.gz	OQHOZBAQIIHLRD-LURJTMIESA-N	-2	3	305.714	1.477	20	30		DDEDHL
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126054159	354049866	/nfs/dbraw/zinc/04/98/66/354049866.db2.gz	DLJFURORTCMUPU-ZETCQYMHSA-N	-2	3	302.739	1.211	20	30		DDEDHL
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326496	407687754	/nfs/dbraw/zinc/68/77/54/407687754.db2.gz	ZGKJBOMHRNVLCU-LLVKDONJSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000274938929	408570341	/nfs/dbraw/zinc/57/03/41/408570341.db2.gz	DSXHXBBPGDCXEC-MRVPVSSYSA-N	-2	3	300.311	1.229	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000541934725	421814823	/nfs/dbraw/zinc/81/48/23/421814823.db2.gz	XEJIBWIXUGPJOV-LLVKDONJSA-N	-2	3	303.286	1.110	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000521228057	269963799	/nfs/dbraw/zinc/96/37/99/269963799.db2.gz	INONRKNOPSWYOJ-KYZUINATSA-N	-2	3	314.750	1.353	20	30		DDEDHL
CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833474622	604539691	/nfs/dbraw/zinc/53/96/91/604539691.db2.gz	RCVLPEZAWHYORZ-ZETCQYMHSA-N	-2	3	303.365	1.058	20	30		DDEDHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000863421609	705925594	/nfs/dbraw/zinc/92/55/94/705925594.db2.gz	UCBNRJVFXAQUFM-SSDOTTSWSA-N	-2	3	324.811	1.580	20	30		DDEDHL
CSc1ncc(C(=O)N([O-])C(=N)c2ccccc2N)c(=O)[n-]1	ZINC001191436354	745512188	/nfs/dbraw/zinc/51/21/88/745512188.db2.gz	DOYAHQAOJGBKND-UHFFFAOYSA-N	-2	3	319.346	1.343	20	30		DDEDHL
N#Cc1ccc(NC(=O)c2cccc(OCCO)c2[O-])c([O-])c1	ZINC001193344025	746070315	/nfs/dbraw/zinc/07/03/15/746070315.db2.gz	CFAVTILBBWLWOQ-UHFFFAOYSA-N	-2	3	314.297	1.593	20	30		DDEDHL
CCC(CC)(NC(=O)c1ccc(C#N)c([O-])c1)c1nnn[n-]1	ZINC001362859979	884819134	/nfs/dbraw/zinc/81/91/34/884819134.db2.gz	ZEYZNXZUXQACLM-UHFFFAOYSA-N	-2	3	300.322	1.222	20	30		DDEDHL
CCC(CC)(NC(=O)c1ccc(C#N)c([O-])c1)c1nn[n-]n1	ZINC001362859979	884819145	/nfs/dbraw/zinc/81/91/45/884819145.db2.gz	ZEYZNXZUXQACLM-UHFFFAOYSA-N	-2	3	300.322	1.222	20	30		DDEDHL
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cn[n-]c21	ZINC001233933896	887473002	/nfs/dbraw/zinc/47/30/02/887473002.db2.gz	DXGPRTCTPOZOSQ-QMMMGPOBSA-N	-2	3	306.322	1.311	20	30		DDEDHL
CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001260216862	899093889	/nfs/dbraw/zinc/09/38/89/899093889.db2.gz	FTTMCFDSLORVHE-ALCCZGGFSA-N	-2	3	301.295	1.295	20	30		DDEDHL
Cc1nc(C=Cc2nc(C#N)cs2)[n-]c(=O)c1CC(=O)[O-]	ZINC000357085418	409860917	/nfs/dbraw/zinc/86/09/17/409860917.db2.gz	SUTVSNGPJMHRMU-IHWYPQMZSA-N	-2	3	302.315	1.616	20	30		DDEDHL
C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000559602920	421835866	/nfs/dbraw/zinc/83/58/66/421835866.db2.gz	OSFPLTQIKBMZFN-VIFPVBQESA-N	-2	3	316.404	1.932	20	30		DDEDHL
C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000548259868	303578593	/nfs/dbraw/zinc/57/85/93/303578593.db2.gz	DSPOSGNQWAIJTB-SECBINFHSA-N	-2	3	314.338	1.477	20	30		DDEDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548554545	307775910	/nfs/dbraw/zinc/77/59/10/307775910.db2.gz	QRDUPDOOYFMYER-VIFPVBQESA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-]	ZINC000668136329	484979838	/nfs/dbraw/zinc/97/98/38/484979838.db2.gz	IYSDQFRNMPTITD-UWVGGRQHSA-N	-2	3	313.379	1.088	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/CC[C@@H]2CCCN(C(=O)[O-])C2)c1[O-]	ZINC000740230995	602624723	/nfs/dbraw/zinc/62/47/23/602624723.db2.gz	IJLKZLINZJZSQA-OPFCKLNOSA-N	-2	3	321.377	1.787	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2CNC(=O)[O-])c1[O-]	ZINC000740233470	603370616	/nfs/dbraw/zinc/37/06/16/603370616.db2.gz	VSUZHMOOEFIEDD-LMXWAAMESA-N	-2	3	321.377	1.833	20	30		DDEDHL
C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000159723079	697311706	/nfs/dbraw/zinc/31/17/06/697311706.db2.gz	KBIGAOWKIHVIGE-YFKPBYRVSA-N	-2	3	324.152	1.593	20	30		DDEDHL
CCOc1cc(C=NNCC(=O)[O-])cc(Br)c1[O-]	ZINC000814960218	701776742	/nfs/dbraw/zinc/77/67/42/701776742.db2.gz	IJZJOYKZPZWVIC-UHFFFAOYSA-N	-2	3	317.139	1.562	20	30		DDEDHL
C[C@@H](CC[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593262186	355836744	/nfs/dbraw/zinc/83/67/44/355836744.db2.gz	KDMYYTJAKAWJTA-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H](C)C(=O)[O-]	ZINC000571737808	421739544	/nfs/dbraw/zinc/73/95/44/421739544.db2.gz	IZXATMMDLZXDLI-JGVFFNPUSA-N	-2	3	300.311	1.085	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2)c([N+](=O)[O-])c1	ZINC000134610755	281550501	/nfs/dbraw/zinc/55/05/01/281550501.db2.gz	JFHUTUMRTUASHH-UHFFFAOYSA-N	-2	3	319.298	1.973	20	30		DDEDHL
CCOc1cc(C(=O)N[C@H]2CCN([O-])C2=O)cc(Cl)c1[O-]	ZINC000820173762	704234295	/nfs/dbraw/zinc/23/42/95/704234295.db2.gz	CHKXWYDSTPOENE-VIFPVBQESA-N	-2	3	314.725	1.164	20	30		DDEDHL
N#Cc1cc(NC(=O)c2c[n-]c3cccnc3c2=O)ccc1[O-]	ZINC001153857389	864165858	/nfs/dbraw/zinc/16/58/58/864165858.db2.gz	MACJVIIVDLHUBZ-UHFFFAOYSA-N	-2	3	306.281	1.753	20	30		DDEDHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126064689	354049820	/nfs/dbraw/zinc/04/98/20/354049820.db2.gz	PMGVYUBTNPFOEM-QMMMGPOBSA-N	-2	3	316.766	1.743	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(Cl)c1	ZINC000126098140	354051304	/nfs/dbraw/zinc/05/13/04/354051304.db2.gz	JRCNPFIHAORIEW-UHFFFAOYSA-N	-2	3	314.750	1.355	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C(=O)[O-]	ZINC000594460060	356224761	/nfs/dbraw/zinc/22/47/61/356224761.db2.gz	KWNBVSZFVOOWCB-QMMMGPOBSA-N	-2	3	305.334	1.045	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-]	ZINC000594574161	356253196	/nfs/dbraw/zinc/25/31/96/356253196.db2.gz	YGNYESLUSXHMJO-VIFPVBQESA-N	-2	3	320.729	1.303	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)ccc1F	ZINC000556714879	421725855	/nfs/dbraw/zinc/72/58/55/421725855.db2.gz	XQUAIPQYIVZUHB-SNVBAGLBSA-N	-2	3	301.339	1.832	20	30		DDEDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(=O)[O-]	ZINC000548240186	307761126	/nfs/dbraw/zinc/76/11/26/307761126.db2.gz	QNQUCTUCXOWXFK-VIFPVBQESA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)CC1	ZINC000582066230	333197389	/nfs/dbraw/zinc/19/73/89/333197389.db2.gz	UKVSHJSDTFJWGL-UHFFFAOYSA-N	-2	3	312.322	1.959	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1	ZINC000822833346	606585194	/nfs/dbraw/zinc/58/51/94/606585194.db2.gz	OIHHPVQVWWCFSZ-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1	ZINC000822833346	606585196	/nfs/dbraw/zinc/58/51/96/606585196.db2.gz	OIHHPVQVWWCFSZ-UHFFFAOYSA-N	-2	3	312.314	1.758	20	30		DDEDHL
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c([O-])c(Cl)c1	ZINC000848135120	703512523	/nfs/dbraw/zinc/51/25/23/703512523.db2.gz	KRHHKHKWXSYLFK-VIFPVBQESA-N	-2	3	302.689	1.295	20	30		DDEDHL
O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000820131660	704226489	/nfs/dbraw/zinc/22/64/89/704226489.db2.gz	KDJOHROEKLSYOO-MRVPVSSYSA-N	-2	3	304.224	1.131	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000864452877	706174151	/nfs/dbraw/zinc/17/41/51/706174151.db2.gz	UAQSWPWTXMRZGI-SECBINFHSA-N	-2	3	322.745	1.572	20	30		DDEDHL
COc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(Cl)c1[O-]	ZINC000916282977	713449691	/nfs/dbraw/zinc/44/96/91/713449691.db2.gz	WQWSHJWHIHTUIY-UHFFFAOYSA-N	-2	3	309.713	1.699	20	30		DDEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000416964620	529588757	/nfs/dbraw/zinc/58/87/57/529588757.db2.gz	WEDRFCCXBLOKPJ-ZWNOBZJWSA-N	-2	3	310.375	1.994	20	30		DDEDHL
CC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593266954	355838830	/nfs/dbraw/zinc/83/88/30/355838830.db2.gz	ZRZHPDHCIATMIB-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC[C@@H](CC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593271463	355841697	/nfs/dbraw/zinc/84/16/97/355841697.db2.gz	CHXJZEHTLLDZOH-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000275060941	212099839	/nfs/dbraw/zinc/09/98/39/212099839.db2.gz	URXDIAVPGKIEHU-SNVBAGLBSA-N	-2	3	319.741	1.624	20	30		DDEDHL
C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000274907320	212024801	/nfs/dbraw/zinc/02/48/01/212024801.db2.gz	JNXSWKKXXZPTTO-SSDOTTSWSA-N	-2	3	302.739	1.211	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000514915977	421464705	/nfs/dbraw/zinc/46/47/05/421464705.db2.gz	OPTVSCXWYSPHGC-UHFFFAOYSA-N	-2	3	300.311	1.229	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126027853	280329003	/nfs/dbraw/zinc/32/90/03/280329003.db2.gz	LEFQLIMATIIGPU-NSHDSACASA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\Cc2cccc(C(=O)[O-])c2)c1[O-]	ZINC000821189939	601844952	/nfs/dbraw/zinc/84/49/52/601844952.db2.gz	HNAGIJIWNGIRMD-IUXPMGMMSA-N	-2	3	300.314	1.905	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\CC[C@@H]2CCCN(C(=O)[O-])C2)c1[O-]	ZINC000740230997	602624498	/nfs/dbraw/zinc/62/44/98/602624498.db2.gz	IJLKZLINZJZSQA-OYZNXWOWSA-N	-2	3	321.377	1.787	20	30		DDEDHL
Cc1cc(=O)[n-]c(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)n1	ZINC000765542211	701018558	/nfs/dbraw/zinc/01/85/58/701018558.db2.gz	IKIRSORMEMGYOI-UHFFFAOYSA-N	-2	3	312.289	1.511	20	30		DDEDHL
CCCCN([O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000904209003	711409965	/nfs/dbraw/zinc/40/99/65/711409965.db2.gz	PQFQQRHIFAOJKU-UHFFFAOYSA-N	-2	3	322.333	1.261	20	30		DDEDHL
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1[O-]	ZINC000087049257	873118076	/nfs/dbraw/zinc/11/80/76/873118076.db2.gz	ZXGMFSSDPKUVQE-LURJTMIESA-N	-2	3	305.153	1.808	20	30		DDEDHL
Cc1oc(C#N)cc1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[n-]1	ZINC001364975483	889797918	/nfs/dbraw/zinc/79/79/18/889797918.db2.gz	VTFWJSVRFSKXEI-UHFFFAOYSA-N	-2	3	316.317	1.284	20	30		DDEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1	ZINC000416950070	529588344	/nfs/dbraw/zinc/58/83/44/529588344.db2.gz	HPNGFNLUXMVLGW-GFCCVEGCSA-N	-2	3	312.347	1.584	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1	ZINC000593257013	355834137	/nfs/dbraw/zinc/83/41/37/355834137.db2.gz	VXIUQTNKHOKGMT-UHFFFAOYSA-N	-2	3	314.388	1.543	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cc1F	ZINC000291878675	408938741	/nfs/dbraw/zinc/93/87/41/408938741.db2.gz	MRUUDJPFISKFSA-SECBINFHSA-N	-2	3	322.264	1.084	20	30		DDEDHL
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000424606585	228294695	/nfs/dbraw/zinc/29/46/95/228294695.db2.gz	YIBLMBWQFXKTAG-WCBMZHEXSA-N	-2	3	312.322	1.494	20	30		DDEDHL
CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833474621	604539469	/nfs/dbraw/zinc/53/94/69/604539469.db2.gz	RCVLPEZAWHYORZ-SSDOTTSWSA-N	-2	3	303.365	1.058	20	30		DDEDHL
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccccc1-c1nnn[n-]1	ZINC001184245570	744000269	/nfs/dbraw/zinc/00/02/69/744000269.db2.gz	TWMFCDJMMGXZIS-UHFFFAOYSA-N	-2	3	308.321	1.855	20	30		DDEDHL
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccccc1-c1nn[n-]n1	ZINC001184245570	744000273	/nfs/dbraw/zinc/00/02/73/744000273.db2.gz	TWMFCDJMMGXZIS-UHFFFAOYSA-N	-2	3	308.321	1.855	20	30		DDEDHL
C[C@@H](C#N)S(=O)(=O)[N-]c1c([O-])cccc1Br	ZINC001193146005	745995919	/nfs/dbraw/zinc/99/59/19/745995919.db2.gz	FJJJDXRDHCWEAK-LURJTMIESA-N	-2	3	305.153	1.808	20	30		DDEDHL
COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncc([O-])cc2C)c1	ZINC001193639795	746158068	/nfs/dbraw/zinc/15/80/68/746158068.db2.gz	CTAWVULNTLKQLO-UHFFFAOYSA-N	-2	3	319.342	1.777	20	30		DDEDHL
C=CCOc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1	ZINC001148468423	773480314	/nfs/dbraw/zinc/48/03/14/773480314.db2.gz	YZUMBSCRTKSLGB-UHFFFAOYSA-N	-2	3	313.290	1.939	20	30		DDEDHL
Cn1ccc(C(=O)N([O-])C(=N)c2ccccc2N)c1CC(=O)[O-]	ZINC001177366983	778551289	/nfs/dbraw/zinc/55/12/89/778551289.db2.gz	ATRMCIZRVHZSDF-UHFFFAOYSA-N	-2	3	316.317	1.091	20	30		DDEDHL
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000270425945	408531861	/nfs/dbraw/zinc/53/18/61/408531861.db2.gz	GXSCJZLCUHNXFG-SECBINFHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
COc1cccc2c1n[n-]c2C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000347916362	410788118	/nfs/dbraw/zinc/78/81/18/410788118.db2.gz	SLPDAKGDWWUKMM-UHFFFAOYSA-N	-2	3	307.273	1.290	20	30		DDEDHL
COc1cccc2c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)n[n-]c21	ZINC000347916362	410788125	/nfs/dbraw/zinc/78/81/25/410788125.db2.gz	SLPDAKGDWWUKMM-UHFFFAOYSA-N	-2	3	307.273	1.290	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000563521024	421517081	/nfs/dbraw/zinc/51/70/81/421517081.db2.gz	WTBXQSZVNRSZML-ZJUUUORDSA-N	-2	3	312.322	1.229	20	30		DDEDHL
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000563351507	333594594	/nfs/dbraw/zinc/59/45/94/333594594.db2.gz	PWAFFFIVIDCQJK-BDAKNGLRSA-N	-2	3	303.361	1.068	20	30		DDEDHL
CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000424387522	527049692	/nfs/dbraw/zinc/04/96/92/527049692.db2.gz	FYTJOKNCPHIRHL-UHFFFAOYSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195258142	746558057	/nfs/dbraw/zinc/55/80/57/746558057.db2.gz	KOVKZKKMSLPQOL-UHFFFAOYSA-N	-2	3	304.274	1.245	20	30		DDEDHL
CN(C)/C=N/c1ccc(NCCOP(=O)([O-])[O-])cc1C#N	ZINC001168592842	751231928	/nfs/dbraw/zinc/23/19/28/751231928.db2.gz	ZVTUYJTYWSKVAP-OQLLNIDSSA-N	-2	3	312.266	1.301	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)ccc1[O-]	ZINC001210534080	875427908	/nfs/dbraw/zinc/42/79/08/875427908.db2.gz	YKTCCYGYZUWWOV-UHFFFAOYSA-N	-2	3	307.306	1.786	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(C(N)=O)c2)cc1	ZINC001258135869	898081709	/nfs/dbraw/zinc/08/17/09/898081709.db2.gz	IWZOAQKYZTYSCP-UHFFFAOYSA-N	-2	3	317.326	1.164	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1	ZINC000591831300	355392943	/nfs/dbraw/zinc/39/29/43/355392943.db2.gz	BWAGPTFWQYIBQK-SNVBAGLBSA-N	-2	3	314.301	1.372	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000262639073	203360385	/nfs/dbraw/zinc/36/03/85/203360385.db2.gz	GXFWBKUBQXOVKR-JTQLQIEISA-N	-2	3	300.311	1.229	20	30		DDEDHL
N#CCCCS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F	ZINC000274930513	408565957	/nfs/dbraw/zinc/56/59/57/408565957.db2.gz	CHOJKSOJWZYCBS-UHFFFAOYSA-N	-2	3	304.274	1.708	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000282853413	409066997	/nfs/dbraw/zinc/06/69/97/409066997.db2.gz	OACQUDIXYUDXOZ-UHFFFAOYSA-N	-2	3	314.750	1.497	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000571737809	421739131	/nfs/dbraw/zinc/73/91/31/421739131.db2.gz	IZXATMMDLZXDLI-SFYZADRCSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000162568468	601236744	/nfs/dbraw/zinc/23/67/44/601236744.db2.gz	NSUAGKMCSYDCGS-ZETCQYMHSA-N	-2	3	305.302	1.906	20	30		DDEDHL
O=C([O-])N[C@@H]1CC(=N[N-]c2[nH+]cnc3[n-]cnc32)c2ccccc21	ZINC000834156708	605743895	/nfs/dbraw/zinc/74/38/95/605743895.db2.gz	CBKFGAOREUPDKC-SNVBAGLBSA-N	-2	3	323.316	1.882	20	30		DDEDHL
C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCCP(=O)([O-])[O-]	ZINC001224608102	881468412	/nfs/dbraw/zinc/46/84/12/881468412.db2.gz	ZAHPJNSFSJJHLV-NSHDSACASA-N	-2	3	321.310	1.746	20	30		DDEDHL
N#C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1	ZINC001227595150	883096219	/nfs/dbraw/zinc/09/62/19/883096219.db2.gz	VRNNHRVUAQUNRA-PHDIDXHHSA-N	-2	3	324.138	1.892	20	30		DDEDHL
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224720	898540062	/nfs/dbraw/zinc/54/00/62/898540062.db2.gz	OCSFQWRYVNMHBQ-LURJTMIESA-N	-2	3	320.729	1.758	20	30		DDEDHL
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000070393998	190884412	/nfs/dbraw/zinc/88/44/12/190884412.db2.gz	AYLACBHXKNYQRL-UHFFFAOYSA-N	-2	3	314.338	1.619	20	30		DDEDHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000261660179	203088629	/nfs/dbraw/zinc/08/86/29/203088629.db2.gz	IYWQADNWSBXKNG-LLVKDONJSA-N	-2	3	300.311	1.085	20	30		DDEDHL
C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-])C1CC1	ZINC000548992383	421489971	/nfs/dbraw/zinc/48/99/71/421489971.db2.gz	XATAADFJAZZKIZ-WRWORJQWSA-N	-2	3	314.388	1.397	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000570903602	332837989	/nfs/dbraw/zinc/83/79/89/332837989.db2.gz	JXVCIMRSWABISH-SNVBAGLBSA-N	-2	3	305.302	1.663	20	30		DDEDHL
C=CCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000582304779	336905754	/nfs/dbraw/zinc/90/57/54/336905754.db2.gz	BBRLSGPQUKTIAV-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000159723210	697311880	/nfs/dbraw/zinc/31/18/80/697311880.db2.gz	KBIGAOWKIHVIGE-RXMQYKEDSA-N	-2	3	324.152	1.593	20	30		DDEDHL
C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(CC(=O)[O-])nn1	ZINC000759078067	700736292	/nfs/dbraw/zinc/73/62/92/700736292.db2.gz	ZGIOOBWLOPUXNV-YHESJLBYSA-N	-2	3	317.276	1.591	20	30		DDEDHL
C[C@H]1C(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814815708	701754655	/nfs/dbraw/zinc/75/46/55/701754655.db2.gz	ASQGHDUSAJRJFG-DGCLKSJQSA-N	-2	3	324.402	1.983	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844784570	703073528	/nfs/dbraw/zinc/07/35/28/703073528.db2.gz	GKDAJOZGSXQQOQ-SECBINFHSA-N	-2	3	322.745	1.572	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2nnc3ccccc3c2[O-])c1	ZINC000176395334	744895088	/nfs/dbraw/zinc/89/50/88/744895088.db2.gz	MNXQDXXDNOPKBO-UHFFFAOYSA-N	-2	3	306.281	1.753	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc([O-])c1F	ZINC001233871867	846138835	/nfs/dbraw/zinc/13/88/35/846138835.db2.gz	QSCBPGKSSQVXQX-VIFPVBQESA-N	-2	3	306.311	1.369	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](C)C(=O)[O-]	ZINC000133270906	354108643	/nfs/dbraw/zinc/10/86/43/354108643.db2.gz	CYFVRZCDUQZTAH-JGVFFNPUSA-N	-2	3	316.766	1.599	20	30		DDEDHL
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230325425	354326458	/nfs/dbraw/zinc/32/64/58/354326458.db2.gz	OOXSBEHIIBOYIC-VIFPVBQESA-N	-2	3	302.377	1.255	20	30		DDEDHL
C=C(C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000119211294	408014166	/nfs/dbraw/zinc/01/41/66/408014166.db2.gz	DHYSCNGTAGMQCK-UHFFFAOYSA-N	-2	3	322.383	1.052	20	30		DDEDHL
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000340448284	410852115	/nfs/dbraw/zinc/85/21/15/410852115.db2.gz	KFABXZYENAYXFH-SSDOTTSWSA-N	-2	3	302.739	1.353	20	30		DDEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000360211485	411102217	/nfs/dbraw/zinc/10/22/17/411102217.db2.gz	IGHKYTSFONSNDP-VIFPVBQESA-N	-2	3	317.392	1.102	20	30		DDEDHL
CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130614292	196095908	/nfs/dbraw/zinc/09/59/08/196095908.db2.gz	FOBMUYJMXJGNRD-SECBINFHSA-N	-2	3	302.739	1.353	20	30		DDEDHL
Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3nnn[n-]3)s2)n1	ZINC000822210637	606368306	/nfs/dbraw/zinc/36/83/06/606368306.db2.gz	LIYXEDHWQJIUQW-UHFFFAOYSA-N	-2	3	302.323	1.178	20	30		DDEDHL
C=C[C@H](C)O[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000846543278	703294572	/nfs/dbraw/zinc/29/45/72/703294572.db2.gz	IJVAYAATSGXAHE-JTQLQIEISA-N	-2	3	319.386	1.698	20	30		DDEDHL
COc1ncccc1S(=O)(=O)[N-]c1ccc([O-])cc1C#N	ZINC001194717421	746448595	/nfs/dbraw/zinc/44/85/95/746448595.db2.gz	DETFENWTTXCDSH-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
CCc1oc(C)c([O-])c1Oc1c([O-])cc(C(=O)OC)cc1[O-]	ZINC001227532847	883062185	/nfs/dbraw/zinc/06/21/85/883062185.db2.gz	MFGBEPSYAVIGBK-ZETCQYMHSA-N	-3	3	308.286	1.873	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc(Cl)cc1[O-]	ZINC001227981514	883267243	/nfs/dbraw/zinc/26/72/43/883267243.db2.gz	XFFTZCDUXOCTTL-SECBINFHSA-N	-2	3	323.754	1.278	20	30		DDEDHL
C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326697	354326505	/nfs/dbraw/zinc/32/65/05/354326505.db2.gz	XUADDFJVDDLQHH-MRVPVSSYSA-N	-2	3	302.377	1.541	20	30		DDEDHL
CCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000262634436	203358216	/nfs/dbraw/zinc/35/82/16/203358216.db2.gz	FYRUNLXPEMTPIJ-LLVKDONJSA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=CCN=c1[n-]nc(Sc2nc3c(cnn3C)c(=O)[n-]2)s1	ZINC000356531716	411077153	/nfs/dbraw/zinc/07/71/53/411077153.db2.gz	SGNKUAXRYBKUGH-UHFFFAOYSA-N	-2	3	321.391	1.670	20	30		DDEDHL
N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1	ZINC000436893611	420382391	/nfs/dbraw/zinc/38/23/91/420382391.db2.gz	OGRJEBSYPLPDGP-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCC(=O)[O-]	ZINC000514601998	421438261	/nfs/dbraw/zinc/43/82/61/421438261.db2.gz	CSEWOEMJEUTWKF-UHFFFAOYSA-N	-2	3	319.361	1.532	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(C)c1F	ZINC000556714560	331726944	/nfs/dbraw/zinc/72/69/44/331726944.db2.gz	JEWWTWZQGAJOJA-JTQLQIEISA-N	-2	3	301.339	1.832	20	30		DDEDHL
C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000569481582	332101134	/nfs/dbraw/zinc/10/11/34/332101134.db2.gz	MCVCNFUCXVTNBA-UHFFFAOYSA-N	-2	3	305.377	1.484	20	30		DDEDHL
C=C[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000340890906	334393752	/nfs/dbraw/zinc/39/37/52/334393752.db2.gz	RYLQEUCLPHGDAM-MRVPVSSYSA-N	-2	3	322.383	1.050	20	30		DDEDHL
C=CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000656724489	484300714	/nfs/dbraw/zinc/30/07/14/484300714.db2.gz	RPLCOLRVNQSCIG-UHFFFAOYSA-N	-2	3	303.336	1.157	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C(=O)[O-]	ZINC000832843314	601704198	/nfs/dbraw/zinc/70/41/98/601704198.db2.gz	UEMFPDBXGFLAHV-UHFFFAOYSA-N	-2	3	319.361	1.435	20	30		DDEDHL
O=S1(=O)[N-]C(=NN=Cc2cccc(F)c2[O-])c2ccccc21	ZINC000755641485	700574889	/nfs/dbraw/zinc/57/48/89/700574889.db2.gz	ZJOVHYITNJBNDK-UHFFFAOYSA-N	-2	3	319.317	1.604	20	30		DDEDHL
O=c1nc(NN=Cc2cc(Cl)c(F)cc2[O-])nc2[nH][n-]cc1-2	ZINC000814842727	701757131	/nfs/dbraw/zinc/75/71/31/701757131.db2.gz	DRJNIBCMENPZBM-UHFFFAOYSA-N	-2	3	322.687	1.376	20	30		DDEDHL
COc1cc(C=NNCC(=O)[O-])cc(Br)c1[O-]	ZINC000814956524	701776180	/nfs/dbraw/zinc/77/61/80/701776180.db2.gz	BVFVONGENYOFGN-UHFFFAOYSA-N	-2	3	303.112	1.171	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1c(F)cccc1Br	ZINC000814233444	702500761	/nfs/dbraw/zinc/50/07/61/702500761.db2.gz	PXOUGUKESUKJSC-UHFFFAOYSA-N	-2	3	301.075	1.473	20	30		DDEDHL
C=CC(=NCOC)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167934976	739728395	/nfs/dbraw/zinc/72/83/95/739728395.db2.gz	YLRIEHWERAMPNT-UHFFFAOYSA-N	-2	3	310.290	1.437	20	30		DDEDHL
N=C(c1ccccc1N)N([O-])C(=O)c1cc([O-])cnc1Cl	ZINC001195310008	746573188	/nfs/dbraw/zinc/57/31/88/746573188.db2.gz	YVZZDTXXWKMZKT-UHFFFAOYSA-N	-2	3	306.709	1.880	20	30		DDEDHL
N#C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1	ZINC001198730425	747582827	/nfs/dbraw/zinc/58/28/27/747582827.db2.gz	NDXFYJBVTNCEAJ-ZDUSSCGKSA-N	-2	3	316.338	1.928	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc([O-])cc(C#N)c1	ZINC001234143659	887684076	/nfs/dbraw/zinc/68/40/76/887684076.db2.gz	GFFXBCJUDMIYEV-CYBMUJFWSA-N	-2	3	313.331	1.102	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(Cl)c1	ZINC000126074307	354050981	/nfs/dbraw/zinc/05/09/81/354050981.db2.gz	KVLZLIVCPQCLIW-UHFFFAOYSA-N	-2	3	300.723	1.107	20	30		DDEDHL
CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230326145	354326692	/nfs/dbraw/zinc/32/66/92/354326692.db2.gz	WWOYQKOKXHUQBH-QMMMGPOBSA-N	-2	3	302.377	1.399	20	30		DDEDHL
N#CCC1(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)CC1	ZINC000593271899	355841578	/nfs/dbraw/zinc/84/15/78/355841578.db2.gz	KGKICLCLGJWFQQ-UHFFFAOYSA-N	-2	3	312.322	1.959	20	30		DDEDHL
CCOC(=O)c1ncc(NC(=O)c2cc([O-])cc(C#N)c2)[n-]1	ZINC000619446421	364013921	/nfs/dbraw/zinc/01/39/21/364013921.db2.gz	JGCHXQWTAFYFRP-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
CCOC(=O)c1nc(NC(=O)c2cc([O-])cc(C#N)c2)c[n-]1	ZINC000619446421	364013924	/nfs/dbraw/zinc/01/39/24/364013924.db2.gz	JGCHXQWTAFYFRP-UHFFFAOYSA-N	-2	3	300.274	1.416	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000517700463	340475601	/nfs/dbraw/zinc/47/56/01/340475601.db2.gz	SDZPUYQRLADLIE-ZETCQYMHSA-N	-2	3	323.292	1.802	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000567852343	341636848	/nfs/dbraw/zinc/63/68/48/341636848.db2.gz	NEZLIDBZQGBFGN-QMMMGPOBSA-N	-2	3	300.361	1.317	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC)c1F	ZINC000656160323	483984665	/nfs/dbraw/zinc/98/46/65/483984665.db2.gz	SSAIJZWPRYHEPS-VIFPVBQESA-N	-2	3	317.338	1.532	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H]2CNC(=O)[O-])c1[O-]	ZINC000740231495	603316909	/nfs/dbraw/zinc/31/69/09/603316909.db2.gz	LSFXFTFJKANCQL-VJUWEASZSA-N	-2	3	307.350	1.443	20	30		DDEDHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000822645896	606293802	/nfs/dbraw/zinc/29/38/02/606293802.db2.gz	VJMAQBGZELIWMK-UHFFFAOYSA-N	-2	3	309.289	1.035	20	30		DDEDHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000822645896	606293803	/nfs/dbraw/zinc/29/38/03/606293803.db2.gz	VJMAQBGZELIWMK-UHFFFAOYSA-N	-2	3	309.289	1.035	20	30		DDEDHL
COc1ccc(C=NNCC(=O)[O-])c(Br)c1[O-]	ZINC000814958582	701776053	/nfs/dbraw/zinc/77/60/53/701776053.db2.gz	CXEVVSGIJWNJAP-UHFFFAOYSA-N	-2	3	303.112	1.171	20	30		DDEDHL
N#Cc1cc([O-])cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1	ZINC000811188255	701932460	/nfs/dbraw/zinc/93/24/60/701932460.db2.gz	XPTUTIKQXCNGMO-UHFFFAOYSA-N	-2	3	316.235	1.489	20	30		DDEDHL
C[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224981	898539713	/nfs/dbraw/zinc/53/97/13/898539713.db2.gz	VYNQBFZWOLSNPI-YFKPBYRVSA-N	-2	3	306.702	1.368	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260441386	899144397	/nfs/dbraw/zinc/14/43/97/899144397.db2.gz	GNUDMIPEKDNULV-UHFFFAOYSA-N	-2	3	316.298	1.601	20	30		DDEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000087496481	185226820	/nfs/dbraw/zinc/22/68/20/185226820.db2.gz	SEOLRRJMKBGRIL-SNVBAGLBSA-N	-2	3	314.338	1.332	20	30		DDEDHL
CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230326143	354326816	/nfs/dbraw/zinc/32/68/16/354326816.db2.gz	WWOYQKOKXHUQBH-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593258049	355834656	/nfs/dbraw/zinc/83/46/56/355834656.db2.gz	YOXLGURISVACJI-SECBINFHSA-N	-2	3	316.404	1.932	20	30		DDEDHL
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	ZINC000297199965	226834731	/nfs/dbraw/zinc/83/47/31/226834731.db2.gz	MOEVKIXJILGFCM-UHFFFAOYSA-N	-2	3	314.750	1.355	20	30		DDEDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547917827	421377992	/nfs/dbraw/zinc/37/79/92/421377992.db2.gz	XNUPMVFXXRGOJT-NSHDSACASA-N	-2	3	314.338	1.475	20	30		DDEDHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547936306	421380147	/nfs/dbraw/zinc/38/01/47/421380147.db2.gz	IYSHPAHWJAHRKB-SNVBAGLBSA-N	-2	3	314.338	1.332	20	30		DDEDHL
C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000054156588	601238871	/nfs/dbraw/zinc/23/88/71/601238871.db2.gz	HIYUHDWYBXFMOC-ZCFIWIBFSA-N	-2	3	304.274	1.101	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000832843660	601596793	/nfs/dbraw/zinc/59/67/93/601596793.db2.gz	YYBGLHRUKSRCKL-AWEZNQCLSA-N	-2	3	317.345	1.188	20	30		DDEDHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)c[n-]1	ZINC000618906679	363792219	/nfs/dbraw/zinc/79/22/19/363792219.db2.gz	TZOJTXCLSZCTNI-UHFFFAOYSA-N	-2	3	320.330	1.259	20	30		DDEDHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)[n-]1	ZINC000618906679	363792220	/nfs/dbraw/zinc/79/22/20/363792220.db2.gz	TZOJTXCLSZCTNI-UHFFFAOYSA-N	-2	3	320.330	1.259	20	30		DDEDHL
Cc1ncc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C#N	ZINC000562347847	421355930	/nfs/dbraw/zinc/35/59/30/421355930.db2.gz	RKRLKPUMPUHMMQ-UHFFFAOYSA-N	-2	3	307.306	1.907	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1	ZINC000548262841	421415352	/nfs/dbraw/zinc/41/53/52/421415352.db2.gz	CONBGWSIXUGVFS-NSHDSACASA-N	-2	3	314.750	1.353	20	30		DDEDHL
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000416964619	529271053	/nfs/dbraw/zinc/27/10/53/529271053.db2.gz	WEDRFCCXBLOKPJ-MFKMUULPSA-N	-2	3	310.375	1.994	20	30		DDEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198782446	747595618	/nfs/dbraw/zinc/59/56/18/747595618.db2.gz	KVRJBNGXTBWPJG-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
N#Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1	ZINC001260219860	899093043	/nfs/dbraw/zinc/09/30/43/899093043.db2.gz	VELKDIHHWMAOKI-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)s1	ZINC000596027163	356748893	/nfs/dbraw/zinc/74/88/93/356748893.db2.gz	QJGQBAJNIIUZJR-SNVBAGLBSA-N	-2	3	314.388	1.399	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](C)C(=O)[O-]	ZINC000562644008	421391198	/nfs/dbraw/zinc/39/11/98/421391198.db2.gz	WDHULJLFVSGVMY-HTQZYQBOSA-N	-2	3	316.766	1.599	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000566546444	341561524	/nfs/dbraw/zinc/56/15/24/341561524.db2.gz	CHUUFHMTILDSFK-VIFPVBQESA-N	-2	3	304.755	1.433	20	30		DDEDHL
Cc1ncc(CO)c(/C=N/Cc2cccc(C(=O)[O-])c2)c1[O-]	ZINC000821189937	601844792	/nfs/dbraw/zinc/84/47/92/601844792.db2.gz	HNAGIJIWNGIRMD-CAOOACKPSA-N	-2	3	300.314	1.905	20	30		DDEDHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000814232753	702500207	/nfs/dbraw/zinc/50/02/07/702500207.db2.gz	KPZMAUOMARQBES-UHFFFAOYSA-N	-2	3	318.076	1.787	20	30		DDEDHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000518110657	421639637	/nfs/dbraw/zinc/63/96/37/421639637.db2.gz	PVKQCKZVDJRNPM-SFYZADRCSA-N	-2	3	300.311	1.085	20	30		DDEDHL
N#Cc1c(Cn2cc(Cl)c(=O)[n-]c2=O)cccc1C(=O)[O-]	ZINC000833761313	604553006	/nfs/dbraw/zinc/55/30/06/604553006.db2.gz	UGVYYIQWWJQKKX-UHFFFAOYSA-N	-2	3	305.677	1.220	20	30		DDEDHL
O=c1nc(NN=Cc2c([O-])ccc(Cl)c2F)nc2[nH][n-]cc1-2	ZINC000790162177	699446404	/nfs/dbraw/zinc/44/64/04/699446404.db2.gz	RDGNZNLDWBINAU-UHFFFAOYSA-N	-2	3	322.687	1.376	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2[n-]c(=S)oc2c1	ZINC000820470886	704285356	/nfs/dbraw/zinc/28/53/56/704285356.db2.gz	IDJBETZLSJBZPK-SECBINFHSA-N	-2	3	307.331	1.227	20	30		DDEDHL
N#CC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1	ZINC001195264454	746559641	/nfs/dbraw/zinc/55/96/41/746559641.db2.gz	ZYGFSWVSWSMNFG-UHFFFAOYSA-N	-2	3	316.285	1.243	20	30		DDEDHL
C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259224765	898540017	/nfs/dbraw/zinc/54/00/17/898540017.db2.gz	POPYGVVDKKGSBQ-LURJTMIESA-N	-2	3	320.729	1.758	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ncc(C(=O)[O-])s1	ZINC000582003555	354739310	/nfs/dbraw/zinc/73/93/10/354739310.db2.gz	NZJHIFWRYXPGCU-SSDOTTSWSA-N	-2	3	315.376	1.125	20	30		DDEDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593257166	355834255	/nfs/dbraw/zinc/83/42/55/355834255.db2.gz	SMZSJKJZNVLYSB-MRVPVSSYSA-N	-2	3	302.377	1.397	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000274918719	212033469	/nfs/dbraw/zinc/03/34/69/212033469.db2.gz	AMGUNKRRDNFSIR-NSHDSACASA-N	-2	3	317.313	1.418	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547932943	421379609	/nfs/dbraw/zinc/37/96/09/421379609.db2.gz	FJVUYXRXTQFTLA-UHFFFAOYSA-N	-2	3	300.311	1.086	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1	ZINC000548262840	421415070	/nfs/dbraw/zinc/41/50/70/421415070.db2.gz	CONBGWSIXUGVFS-LLVKDONJSA-N	-2	3	314.750	1.353	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-]	ZINC000629296235	422590750	/nfs/dbraw/zinc/59/07/50/422590750.db2.gz	RDRWGWIMDNMZPV-SECBINFHSA-N	-2	3	317.313	1.418	20	30		DDEDHL
CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000584513907	337352574	/nfs/dbraw/zinc/35/25/74/337352574.db2.gz	DLXIJGCQFIBKMA-SNVBAGLBSA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=CC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000682895975	485817057	/nfs/dbraw/zinc/81/70/57/485817057.db2.gz	FHFPGOKRKUFUTK-QMMMGPOBSA-N	-2	3	324.280	1.408	20	30		DDEDHL
C=CCCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000856034227	704510550	/nfs/dbraw/zinc/51/05/50/704510550.db2.gz	JESFOXSREWFAQM-CYBMUJFWSA-N	-2	3	304.346	1.621	20	30		DDEDHL
N#Cc1cc(NC(=O)c2ccccc2S(=O)(=O)[O-])ccc1[O-]	ZINC001189694610	744954690	/nfs/dbraw/zinc/95/46/90/744954690.db2.gz	XBPKESVDZCAQEQ-UHFFFAOYSA-N	-2	3	318.310	1.763	20	30		DDEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000092181934	193171536	/nfs/dbraw/zinc/17/15/36/193171536.db2.gz	JXXNAAHUGMIIPH-IUCAKERBSA-N	-2	3	310.306	1.005	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000274932529	408567555	/nfs/dbraw/zinc/56/75/55/408567555.db2.gz	CQVWYTUFZIIUJX-SNVBAGLBSA-N	-2	3	321.276	1.249	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000547931550	303561191	/nfs/dbraw/zinc/56/11/91/303561191.db2.gz	DBAUOVRUFIFIHL-MRVPVSSYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000569924007	332693669	/nfs/dbraw/zinc/69/36/69/332693669.db2.gz	VSBUEVUHXPEKDK-MRVPVSSYSA-N	-2	3	304.393	1.864	20	30		DDEDHL
C=CCCO[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000856031271	704510310	/nfs/dbraw/zinc/51/03/10/704510310.db2.gz	JNPPAWPNFSEWPZ-UHFFFAOYSA-N	-2	3	315.333	1.114	20	30		DDEDHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000863421611	705925309	/nfs/dbraw/zinc/92/53/09/705925309.db2.gz	UCBNRJVFXAQUFM-ZETCQYMHSA-N	-2	3	324.811	1.580	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000906001025	712217162	/nfs/dbraw/zinc/21/71/62/712217162.db2.gz	MWIGDRBIGFIZGX-VIFPVBQESA-N	-2	3	318.782	1.741	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000581592658	354735538	/nfs/dbraw/zinc/73/55/38/354735538.db2.gz	WXXAACFDITYXLZ-JTQLQIEISA-N	-2	3	301.368	1.162	20	30		DDEDHL
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000061890140	184192381	/nfs/dbraw/zinc/19/23/81/184192381.db2.gz	ZDFMCLDTTCMFGH-GXSJLCMTSA-N	-2	3	312.322	1.494	20	30		DDEDHL
C[C@H](CCC[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326890	407689132	/nfs/dbraw/zinc/68/91/32/407689132.db2.gz	NLEMHFIYWXUROU-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000274911840	408565662	/nfs/dbraw/zinc/56/56/62/408565662.db2.gz	KYUGBVQAOBEGOL-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000571264561	421700408	/nfs/dbraw/zinc/70/04/08/421700408.db2.gz	MLRVCRWSFVIYAN-MNOVXSKESA-N	-2	3	315.322	1.146	20	30		DDEDHL
Cc1ncc(CO)c(/C=N\[C@@H]2CCCCN(C(=O)[O-])C2)c1[O-]	ZINC000740232696	602749017	/nfs/dbraw/zinc/74/90/17/602749017.db2.gz	SBQPCAPOLBDYAV-JGSGYBEMSA-N	-2	3	307.350	1.539	20	30		DDEDHL
CC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000833636641	604541107	/nfs/dbraw/zinc/54/11/07/604541107.db2.gz	YIPIKDRSXSJTOP-ZCFIWIBFSA-N	-2	3	304.274	1.243	20	30		DDEDHL
C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(CC(=O)[O-])nn1	ZINC000759078058	700736273	/nfs/dbraw/zinc/73/62/73/700736273.db2.gz	ZGIOOBWLOPUXNV-CPLNQPMESA-N	-2	3	317.276	1.591	20	30		DDEDHL
N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC1	ZINC001195185760	746540525	/nfs/dbraw/zinc/54/05/25/746540525.db2.gz	ALMKWJIDGIPDPO-UHFFFAOYSA-N	-2	3	316.285	1.388	20	30		DDEDHL
C[C@H](CS)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227595566	843597921	/nfs/dbraw/zinc/59/79/21/843597921.db2.gz	AGFLJEQJFOPTRR-GSVOUGTGSA-N	-2	3	305.157	1.518	20	30		DDEDHL
CSc1ccccc1[N-]C(=S)N[C@@H]1C(=O)N([O-])C[C@@H]1C	ZINC001249715517	894109169	/nfs/dbraw/zinc/10/91/69/894109169.db2.gz	SRRNDLVRJVLQIC-KWQFWETISA-N	-2	3	311.432	1.931	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-]	ZINC000594573973	356253180	/nfs/dbraw/zinc/25/31/80/356253180.db2.gz	RUBTYAPWDQNOKC-SECBINFHSA-N	-2	3	320.729	1.303	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000275079132	212108994	/nfs/dbraw/zinc/10/89/94/212108994.db2.gz	YHVGXOUZTBVKMW-NSHDSACASA-N	-2	3	303.286	1.110	20	30		DDEDHL
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCC(=O)[O-])c1	ZINC000160695132	408514027	/nfs/dbraw/zinc/51/40/27/408514027.db2.gz	CRHXCDVXGFXEGT-UHFFFAOYSA-N	-2	3	316.766	1.745	20	30		DDEDHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000558590340	421815077	/nfs/dbraw/zinc/81/50/77/421815077.db2.gz	ONKQAUGQZVGEDK-UHFFFAOYSA-N	-2	3	314.750	1.497	20	30		DDEDHL
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000562993138	333024574	/nfs/dbraw/zinc/02/45/74/333024574.db2.gz	UDXCTBBDYUXHDE-WPRPVWTQSA-N	-2	3	317.388	1.316	20	30		DDEDHL
CCOc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc(Cl)c1[O-]	ZINC000820173761	704234122	/nfs/dbraw/zinc/23/41/22/704234122.db2.gz	CHKXWYDSTPOENE-SECBINFHSA-N	-2	3	314.725	1.164	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000864452385	706173609	/nfs/dbraw/zinc/17/36/09/706173609.db2.gz	PEOIQJKFNOAMMC-LLVKDONJSA-N	-2	3	319.329	1.971	20	30		DDEDHL
C[C@@H](CS)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227595567	843598039	/nfs/dbraw/zinc/59/80/39/843598039.db2.gz	AGFLJEQJFOPTRR-VKHMYHEASA-N	-2	3	305.157	1.518	20	30		DDEDHL
C#C[C@H](COc1cccc(Cl)c1)OCCP(=O)([O-])[O-]	ZINC001224603299	844921705	/nfs/dbraw/zinc/92/17/05/844921705.db2.gz	XQQAZKFWQCGMOS-LLVKDONJSA-N	-2	3	304.666	1.915	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000565539832	304075145	/nfs/dbraw/zinc/07/51/45/304075145.db2.gz	VOXAZUVYVLWDSU-SNVBAGLBSA-N	-2	3	305.334	1.140	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000274935741	408566829	/nfs/dbraw/zinc/56/68/29/408566829.db2.gz	DGRHBQJIRBLBCR-JTQLQIEISA-N	-2	3	319.741	1.624	20	30		DDEDHL
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([O-])c1	ZINC000134603985	281549779	/nfs/dbraw/zinc/54/97/79/281549779.db2.gz	XYCXMMSKWFRTNM-UHFFFAOYSA-N	-2	3	319.298	1.973	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822833857	606296797	/nfs/dbraw/zinc/29/67/97/606296797.db2.gz	XXOWRNQXZQARDC-UHFFFAOYSA-N	-2	3	320.312	1.625	20	30		DDEDHL
Cc1cc(=O)[n-]c(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)n1	ZINC000844563587	703044363	/nfs/dbraw/zinc/04/43/63/703044363.db2.gz	RAFSXXCCXWIVTQ-UHFFFAOYSA-N	-2	3	310.317	1.615	20	30		DDEDHL
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000820121041	704224353	/nfs/dbraw/zinc/22/43/53/704224353.db2.gz	VTXUOHHTABTFCT-MRVPVSSYSA-N	-2	3	305.117	1.419	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000837291088	707613735	/nfs/dbraw/zinc/61/37/35/707613735.db2.gz	GTLJRIPMXLKTGB-QMMMGPOBSA-N	-2	3	321.786	1.080	20	30		DDEDHL
Cc1cc([O-])cnc1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190611334	851138774	/nfs/dbraw/zinc/13/87/74/851138774.db2.gz	MZXKGLUIQJNJJD-UHFFFAOYSA-N	-2	3	307.306	1.907	20	30		DDEDHL
N#Cc1cnc(NC(=O)c2cc(=O)c3cccc([O-])c3[n-]2)cn1	ZINC001152668981	863483664	/nfs/dbraw/zinc/48/36/64/863483664.db2.gz	DIVQSURVHNBPIR-UHFFFAOYSA-N	-2	3	307.269	1.560	20	30		DDEDHL
CC[C@H](CC[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593271462	355841629	/nfs/dbraw/zinc/84/16/29/355841629.db2.gz	CHXJZEHTLLDZOH-MRVPVSSYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230323505	407688986	/nfs/dbraw/zinc/68/89/86/407688986.db2.gz	NOKCBIXOBAPHQQ-VIFPVBQESA-N	-2	3	302.377	1.541	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1	ZINC000319423242	409893409	/nfs/dbraw/zinc/89/34/09/409893409.db2.gz	OXAZVTJIYLWDSD-UHFFFAOYSA-N	-2	3	321.289	1.591	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](C)C(=O)[O-]	ZINC000577473735	308390653	/nfs/dbraw/zinc/39/06/53/308390653.db2.gz	ZWLBWYJECJLLPZ-JGVFFNPUSA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1oc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)cc1C(=O)[O-]	ZINC000833029018	602305326	/nfs/dbraw/zinc/30/53/26/602305326.db2.gz	XDTCKRBZVQJSDX-SECBINFHSA-N	-2	3	300.336	1.503	20	30		DDEDHL
O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000820121042	704224377	/nfs/dbraw/zinc/22/43/77/704224377.db2.gz	VTXUOHHTABTFCT-QMMMGPOBSA-N	-2	3	305.117	1.419	20	30		DDEDHL
N#Cc1ccc([O-])c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000822832864	705053642	/nfs/dbraw/zinc/05/36/42/705053642.db2.gz	GZNAYIYYPXDJIF-UHFFFAOYSA-N	-2	3	306.285	1.696	20	30		DDEDHL
Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC001363180083	885654664	/nfs/dbraw/zinc/65/46/64/885654664.db2.gz	YGRRHNFBHXTOAF-UHFFFAOYSA-N	-2	3	312.329	1.733	20	30		DDEDHL
C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C(C)(C)O1	ZINC001233940175	887478702	/nfs/dbraw/zinc/47/87/02/887478702.db2.gz	STFBVEZIXCOJPF-BMIGLBTASA-N	-2	3	304.350	1.927	20	30		DDEDHL
C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593261255	355836333	/nfs/dbraw/zinc/83/63/33/355836333.db2.gz	FKZDIKVCLVEAOL-PWSUYJOCSA-N	-2	3	314.388	1.541	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-]	ZINC000593272315	355841257	/nfs/dbraw/zinc/84/12/57/355841257.db2.gz	AEPKVERJOCBRGY-VIFPVBQESA-N	-2	3	314.388	1.541	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])s1	ZINC000515052655	268258528	/nfs/dbraw/zinc/25/85/28/268258528.db2.gz	NXKRVVPGFVHYBZ-JTQLQIEISA-N	-2	3	314.388	1.541	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000261677880	280328912	/nfs/dbraw/zinc/32/89/12/280328912.db2.gz	LIDXOBPXZHASGD-NSHDSACASA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000567863147	308098872	/nfs/dbraw/zinc/09/88/72/308098872.db2.gz	CDZZZOQJLORHRR-VIFPVBQESA-N	-2	3	319.361	1.387	20	30		DDEDHL
N#Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1[O-]	ZINC001193515971	746131780	/nfs/dbraw/zinc/13/17/80/746131780.db2.gz	WFQVMMBNVJHFNK-UHFFFAOYSA-N	-2	3	312.281	1.288	20	30		DDEDHL
C=C[C@@H]1O[C@@H](OCCCCP(=O)([O-])[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001225020423	881641152	/nfs/dbraw/zinc/64/11/52/881641152.db2.gz	NVJZJHCLCXQZFB-FIQHERPVSA-N	-2	3	322.294	1.392	20	30		DDEDHL
N#Cc1coc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC001260220867	899092902	/nfs/dbraw/zinc/09/29/02/899092902.db2.gz	RZCBNWYXJIWJJR-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
C=CCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000560480997	354694725	/nfs/dbraw/zinc/69/47/25/354694725.db2.gz	PSPKUIBAKYISEQ-SNVBAGLBSA-N	-2	3	315.395	1.241	20	30		DDEDHL
C=C(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000581015425	354729361	/nfs/dbraw/zinc/72/93/61/354729361.db2.gz	XFBZVYAHQSTNAU-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593274757	355843170	/nfs/dbraw/zinc/84/31/70/355843170.db2.gz	VPQNNQAVMCETCH-SNVBAGLBSA-N	-2	3	316.404	1.787	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000565539831	304075031	/nfs/dbraw/zinc/07/50/31/304075031.db2.gz	VOXAZUVYVLWDSU-JTQLQIEISA-N	-2	3	305.334	1.140	20	30		DDEDHL
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000581107041	421900463	/nfs/dbraw/zinc/90/04/63/421900463.db2.gz	XKIUDJWFFCFHMJ-LLVKDONJSA-N	-2	3	314.338	1.475	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-]	ZINC000630438743	422104362	/nfs/dbraw/zinc/10/43/62/422104362.db2.gz	YCCHWGMIRLADKM-JTQLQIEISA-N	-2	3	317.338	1.532	20	30		DDEDHL
C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814815785	701754614	/nfs/dbraw/zinc/75/46/14/701754614.db2.gz	DNROOEVXUHZEQO-SMDDNHRTSA-N	-2	3	324.402	1.983	20	30		DDEDHL
C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814815781	701754696	/nfs/dbraw/zinc/75/46/96/701754696.db2.gz	DNROOEVXUHZEQO-BXUZGUMPSA-N	-2	3	324.402	1.983	20	30		DDEDHL
Cc1ncc(CO)c(C(=O)N([O-])C(=N)c2ccccc2N)c1[O-]	ZINC001147840990	773265340	/nfs/dbraw/zinc/26/53/40/773265340.db2.gz	MPFATFBHZQGTJJ-UHFFFAOYSA-N	-2	3	316.317	1.027	20	30		DDEDHL
C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)[C@H](C)S	ZINC001227596378	883095014	/nfs/dbraw/zinc/09/50/14/883095014.db2.gz	LCJRIKOXGTVFIE-DMTCNVIQSA-N	-2	3	319.184	1.907	20	30		DDEDHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCS)c(F)cc1Cl	ZINC001259221598	898539647	/nfs/dbraw/zinc/53/96/47/898539647.db2.gz	NGWFKEYIUHPZRN-UHFFFAOYSA-N	-2	3	313.759	1.385	20	30		DDEDHL
N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1[O-]	ZINC001260189932	899082210	/nfs/dbraw/zinc/08/22/10/899082210.db2.gz	QAJHZWZIHSUZKY-UHFFFAOYSA-N	-3	3	318.310	1.763	20	30		DDEDHL
C=CCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000593310537	355851373	/nfs/dbraw/zinc/85/13/73/355851373.db2.gz	QJOHVJZWZWMWGA-UHFFFAOYSA-N	-2	3	314.319	1.538	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000274935742	408567527	/nfs/dbraw/zinc/56/75/27/408567527.db2.gz	DGRHBQJIRBLBCR-SNVBAGLBSA-N	-2	3	319.741	1.624	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(=O)[O-]	ZINC000738152755	597829307	/nfs/dbraw/zinc/82/93/07/597829307.db2.gz	GJMKWEGSVOLFLS-UHFFFAOYSA-N	-2	3	306.318	1.616	20	30		DDEDHL
COc1cc(C=NN=c2cc[n-]n2C)ccc1OCCC(=O)[O-]	ZINC000774409076	697875768	/nfs/dbraw/zinc/87/57/68/697875768.db2.gz	AOHKWNGQULMABG-UHFFFAOYSA-N	-2	3	318.333	1.150	20	30		DDEDHL
CC[C@@H](NN=Cc1c([O-])cccc1Br)C(=O)[O-]	ZINC000863114736	705862731	/nfs/dbraw/zinc/86/27/31/705862731.db2.gz	SAFZILXNTHGLOO-SECBINFHSA-N	-2	3	301.140	1.941	20	30		DDEDHL
N#CC1CC(Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1	ZINC001227595593	883094440	/nfs/dbraw/zinc/09/44/40/883094440.db2.gz	AZZJWSTZYABNQU-UHFFFAOYSA-N	-2	3	310.111	1.502	20	30		DDEDHL
C=CCSCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000596086843	356767149	/nfs/dbraw/zinc/76/71/49/356767149.db2.gz	DOYYXHXVPMXKTK-UHFFFAOYSA-N	-2	3	305.377	1.484	20	30		DDEDHL
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322703	407688105	/nfs/dbraw/zinc/68/81/05/407688105.db2.gz	NQZXEVGRTFSZGR-VIFPVBQESA-N	-2	3	302.377	1.397	20	30		DDEDHL
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000270411768	408523640	/nfs/dbraw/zinc/52/36/40/408523640.db2.gz	CHBMTGQXHUFULR-SSDOTTSWSA-N	-2	3	302.739	1.353	20	30		DDEDHL
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](C)C(=O)[O-]	ZINC000562644011	421391194	/nfs/dbraw/zinc/39/11/94/421391194.db2.gz	WDHULJLFVSGVMY-YUMQZZPRSA-N	-2	3	316.766	1.599	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC(=O)[O-]	ZINC000566225012	308049938	/nfs/dbraw/zinc/04/99/38/308049938.db2.gz	ONTUMVZIDAPDGF-UHFFFAOYSA-N	-2	3	305.334	1.189	20	30		DDEDHL
CC[C@H](NN=Cc1cc(Br)ccc1[O-])C(=O)[O-]	ZINC000793056274	699731045	/nfs/dbraw/zinc/73/10/45/699731045.db2.gz	FEDNNNNZYUJJPP-VIFPVBQESA-N	-2	3	301.140	1.941	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]	ZINC000864453392	706174140	/nfs/dbraw/zinc/17/41/40/706174140.db2.gz	ZJQVNLBLGWOFGU-NSHDSACASA-N	-2	3	319.329	1.971	20	30		DDEDHL
N#Cc1ccnc(N2CCC(OCCP(=O)([O-])[O-])CC2)c1	ZINC001224603527	881466732	/nfs/dbraw/zinc/46/67/32/881466732.db2.gz	ZNQCRVABSJSZMW-UHFFFAOYSA-N	-2	3	311.278	1.116	20	30		DDEDHL
CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087499191	185226944	/nfs/dbraw/zinc/22/69/44/185226944.db2.gz	ZQHDZXUHHCACBM-QMMMGPOBSA-N	-2	3	316.766	1.601	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(OC)cc1F	ZINC000577039432	422380801	/nfs/dbraw/zinc/38/08/01/422380801.db2.gz	FSHJVUOHGFYRAW-VIFPVBQESA-N	-2	3	317.338	1.532	20	30		DDEDHL
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000560888999	332392413	/nfs/dbraw/zinc/39/24/13/332392413.db2.gz	NCRBUMDNMRJRBO-ZJUUUORDSA-N	-2	3	317.388	1.458	20	30		DDEDHL
C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000583847450	337341794	/nfs/dbraw/zinc/34/17/94/337341794.db2.gz	VIDUNMFWOHLJIZ-VIFPVBQESA-N	-2	3	314.338	1.619	20	30		DDEDHL
C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1	ZINC000656721911	484297741	/nfs/dbraw/zinc/29/77/41/484297741.db2.gz	YHFZJJJFNLBTGJ-UHFFFAOYSA-N	-2	3	315.347	1.381	20	30		DDEDHL
C[C@H](C(=O)NCCCCP(=O)([O-])[O-])c1ccc(C#N)cc1	ZINC001182798472	743719492	/nfs/dbraw/zinc/71/94/92/743719492.db2.gz	IFKOAZHNFPENEQ-NSHDSACASA-N	-2	3	310.290	1.736	20	30		DDEDHL
Cc1cc([O-])c([N-]S(=O)(=O)CC#N)cc1Br	ZINC001192981191	745940341	/nfs/dbraw/zinc/94/03/41/745940341.db2.gz	YNCJXDXAWQLHGB-UHFFFAOYSA-N	-2	3	305.153	1.728	20	30		DDEDHL
Cc1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)n[n-]2)o1	ZINC000174947194	408013421	/nfs/dbraw/zinc/01/34/21/408013421.db2.gz	SZLGALNMQLVDKP-UHFFFAOYSA-N	-2	3	307.273	1.697	20	30		DDEDHL
Cc1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)[n-]n2)o1	ZINC000174947194	408013426	/nfs/dbraw/zinc/01/34/26/408013426.db2.gz	SZLGALNMQLVDKP-UHFFFAOYSA-N	-2	3	307.273	1.697	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-]	ZINC000548533544	421448362	/nfs/dbraw/zinc/44/83/62/421448362.db2.gz	JUPFCYBCSZMVCE-MRVPVSSYSA-N	-2	3	322.264	1.084	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1F	ZINC000571022194	421681904	/nfs/dbraw/zinc/68/19/04/421681904.db2.gz	KTYMECXXVJLPEX-SECBINFHSA-N	-2	3	319.329	1.971	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000654787622	423908567	/nfs/dbraw/zinc/90/85/67/423908567.db2.gz	YTSQJIAPSOAIJJ-VIFPVBQESA-N	-2	3	301.368	1.231	20	30		DDEDHL
O=C(N[C@H]1CCN([O-])C1=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000820131661	704226640	/nfs/dbraw/zinc/22/66/40/704226640.db2.gz	KDJOHROEKLSYOO-QMMMGPOBSA-N	-2	3	304.224	1.131	20	30		DDEDHL
O=C([O-])COc1ccccc1C=N[N-]c1[nH+]cnc2[n-]cnc21	ZINC000917554829	713503216	/nfs/dbraw/zinc/50/32/16/713503216.db2.gz	GEHBKFNXPLMEBN-UHFFFAOYSA-N	-2	3	312.289	1.262	20	30		DDEDHL
Cc1[nH]c(=O)[n-]c(=S)c1C(=O)[N-]Oc1cccc(C#N)c1	ZINC001302373377	871063404	/nfs/dbraw/zinc/06/34/04/871063404.db2.gz	HCPRDSBHZZUIMG-UHFFFAOYSA-N	-2	3	302.315	1.375	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)CC(=O)[O-]	ZINC000593256454	355834486	/nfs/dbraw/zinc/83/44/86/355834486.db2.gz	JCXNSOWETPBQHS-UHFFFAOYSA-N	-2	3	302.377	1.399	20	30		DDEDHL
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000061890145	184192557	/nfs/dbraw/zinc/19/25/57/184192557.db2.gz	IKIHYQAFSGYUHF-CBAPKCEASA-N	-2	3	300.361	1.417	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000274944017	408572401	/nfs/dbraw/zinc/57/24/01/408572401.db2.gz	FMZUXVPNCYYPLA-SSDOTTSWSA-N	-2	3	307.780	1.546	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287358650	409024802	/nfs/dbraw/zinc/02/48/02/409024802.db2.gz	YBOUZOWRLWXIFJ-SSDOTTSWSA-N	-2	3	324.280	1.408	20	30		DDEDHL
C=CCCC[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000569924009	332693593	/nfs/dbraw/zinc/69/35/93/332693593.db2.gz	VSBUEVUHXPEKDK-QMMMGPOBSA-N	-2	3	304.393	1.864	20	30		DDEDHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000577067530	341883188	/nfs/dbraw/zinc/88/31/88/341883188.db2.gz	LLESVTZFJSMZNT-JTQLQIEISA-N	-2	3	301.339	1.832	20	30		DDEDHL
C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000162568568	601236804	/nfs/dbraw/zinc/23/68/04/601236804.db2.gz	NSUAGKMCSYDCGS-SSDOTTSWSA-N	-2	3	305.302	1.906	20	30		DDEDHL
C=C[C@@H](C)O[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000846543280	703294540	/nfs/dbraw/zinc/29/45/40/703294540.db2.gz	IJVAYAATSGXAHE-SNVBAGLBSA-N	-2	3	319.386	1.698	20	30		DDEDHL
COc1ccc(C#N)c(C(=O)NCCCCP(=O)([O-])[O-])c1	ZINC001189097005	744827667	/nfs/dbraw/zinc/82/76/67/744827667.db2.gz	OOOPMUZIQHUYFM-UHFFFAOYSA-N	-2	3	312.262	1.255	20	30		DDEDHL
C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1OCCP(=O)([O-])[O-]	ZINC001224608101	881468154	/nfs/dbraw/zinc/46/81/54/881468154.db2.gz	ZAHPJNSFSJJHLV-LLVKDONJSA-N	-2	3	321.310	1.746	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c(Cl)c1	ZINC000126055294	354049843	/nfs/dbraw/zinc/04/98/43/354049843.db2.gz	VGVUSUQMCZWVPO-LLVKDONJSA-N	-2	3	314.750	1.353	20	30		DDEDHL
C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593270306	355840631	/nfs/dbraw/zinc/84/06/31/355840631.db2.gz	OTMXMOYOMHZEHB-MRVPVSSYSA-N	-2	3	316.404	1.787	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000593274540	355842146	/nfs/dbraw/zinc/84/21/46/355842146.db2.gz	SZSKJBVTGUFIBS-BDAKNGLRSA-N	-2	3	314.388	1.541	20	30		DDEDHL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593274755	355843190	/nfs/dbraw/zinc/84/31/90/355843190.db2.gz	VPQNNQAVMCETCH-JTQLQIEISA-N	-2	3	316.404	1.787	20	30		DDEDHL
C=CCCSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000594720564	356296511	/nfs/dbraw/zinc/29/65/11/356296511.db2.gz	PTMAPPQVRUWWLJ-UHFFFAOYSA-N	-2	3	305.377	1.565	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000548266878	421416160	/nfs/dbraw/zinc/41/61/60/421416160.db2.gz	KBAQRVCAPUTLJM-GFCCVEGCSA-N	-2	3	312.322	1.229	20	30		DDEDHL
C=CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000159593342	277881518	/nfs/dbraw/zinc/88/15/18/277881518.db2.gz	DDDCOMWJAPZLGH-SECBINFHSA-N	-2	3	314.319	1.211	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844787673	703073656	/nfs/dbraw/zinc/07/36/56/703073656.db2.gz	XSIAXZDUQGFQJH-SECBINFHSA-N	-2	3	320.729	1.019	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000905987589	712211380	/nfs/dbraw/zinc/21/13/80/712211380.db2.gz	IFWYGEZYRXHWKK-SECBINFHSA-N	-2	3	316.766	1.188	20	30		DDEDHL
N#Cc1c(F)c(F)c([N-][C@H]2SC(=O)[N-]C2=O)c(F)c1F	ZINC001163672634	868617182	/nfs/dbraw/zinc/61/71/82/868617182.db2.gz	PAQOTQXCVVOFLE-VIFPVBQESA-N	-2	3	305.212	1.836	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000275060939	212099136	/nfs/dbraw/zinc/09/91/36/212099136.db2.gz	URXDIAVPGKIEHU-JTQLQIEISA-N	-2	3	319.741	1.624	20	30		DDEDHL
COc1cc([O-])cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000355805906	410686638	/nfs/dbraw/zinc/68/66/38/410686638.db2.gz	FDVFUGHPIOFNER-UHFFFAOYSA-N	-2	3	305.315	1.468	20	30		DDEDHL
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000130613848	196095237	/nfs/dbraw/zinc/09/52/37/196095237.db2.gz	OLPQGTQWHMMNDM-SSDOTTSWSA-N	-2	3	302.739	1.353	20	30		DDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)CC(=O)[O-]	ZINC000738229167	600782242	/nfs/dbraw/zinc/78/22/42/600782242.db2.gz	IZVFVCPSQKNDOK-UHFFFAOYSA-N	-2	3	319.361	1.578	20	30		DDEDHL
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000833636640	604541170	/nfs/dbraw/zinc/54/11/70/604541170.db2.gz	YIPIKDRSXSJTOP-LURJTMIESA-N	-2	3	304.274	1.243	20	30		DDEDHL
C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814815783	701754675	/nfs/dbraw/zinc/75/46/75/701754675.db2.gz	DNROOEVXUHZEQO-RISCZKNCSA-N	-2	3	324.402	1.983	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000905986962	712210940	/nfs/dbraw/zinc/21/09/40/712210940.db2.gz	FTVBVEAITUUYDW-VIFPVBQESA-N	-2	3	318.782	1.741	20	30		DDEDHL
N#Cc1cnc(C[N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1	ZINC001198807269	747618334	/nfs/dbraw/zinc/61/83/34/747618334.db2.gz	GCODSZSDXDUYIU-UHFFFAOYSA-N	-2	3	323.355	1.191	20	30		DDEDHL
C#CCNC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC001152607098	863456432	/nfs/dbraw/zinc/45/64/32/863456432.db2.gz	NYXOCEDIRYYJMD-UHFFFAOYSA-N	-2	3	321.288	1.236	20	30		DDEDHL
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000416964618	529588603	/nfs/dbraw/zinc/58/86/03/529588603.db2.gz	WEDRFCCXBLOKPJ-GXFFZTMASA-N	-2	3	310.375	1.994	20	30		DDEDHL
C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000231937730	354328977	/nfs/dbraw/zinc/32/89/77/354328977.db2.gz	OPKFETBNSDXFGC-UHFFFAOYSA-N	-2	3	307.418	1.644	20	30		DDEDHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000270481352	296138511	/nfs/dbraw/zinc/13/85/11/296138511.db2.gz	KOCCEUMFXIMJJM-ZCFIWIBFSA-N	-2	3	322.264	1.328	20	30		DDEDHL
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000061890144	184192433	/nfs/dbraw/zinc/19/24/33/184192433.db2.gz	IKIHYQAFSGYUHF-IONNQARKSA-N	-2	3	300.361	1.417	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-]	ZINC000630438639	422105563	/nfs/dbraw/zinc/10/55/63/422105563.db2.gz	UVHGJAGKLBYZAN-VIFPVBQESA-N	-2	3	317.338	1.532	20	30		DDEDHL
CSc1[n-]c(=O)c(C(=O)NCc2ncccc2[O-])cc1C#N	ZINC000352517483	500876763	/nfs/dbraw/zinc/87/67/63/500876763.db2.gz	PQLBYUMTTTXPMX-UHFFFAOYSA-N	-2	3	316.342	1.411	20	30		DDEDHL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000593275326	355842929	/nfs/dbraw/zinc/84/29/29/355842929.db2.gz	XGYVOKCGUWGGAY-QMMMGPOBSA-N	-2	3	312.322	1.229	20	30		DDEDHL
Cc1nc(C=Cc2nc(C#N)cs2)[n-]c(=O)c1CC(=O)[O-]	ZINC000357085420	409860703	/nfs/dbraw/zinc/86/07/03/409860703.db2.gz	SUTVSNGPJMHRMU-NSCUHMNNSA-N	-2	3	302.315	1.616	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[O-]	ZINC000188465023	222014811	/nfs/dbraw/zinc/01/48/11/222014811.db2.gz	OCYCEQZGLBSAIW-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
N#Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[O-]	ZINC000188465023	222014813	/nfs/dbraw/zinc/01/48/13/222014813.db2.gz	OCYCEQZGLBSAIW-UHFFFAOYSA-N	-2	3	320.312	1.374	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000548229918	421413407	/nfs/dbraw/zinc/41/34/07/421413407.db2.gz	GCDYOEOTOHAVOX-UHFFFAOYSA-N	-2	3	316.766	1.601	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000567852342	421615846	/nfs/dbraw/zinc/61/58/46/421615846.db2.gz	NEZLIDBZQGBFGN-MRVPVSSYSA-N	-2	3	300.361	1.317	20	30		DDEDHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000630438608	422105068	/nfs/dbraw/zinc/10/50/68/422105068.db2.gz	TUGBJTGMLUEAAI-MRVPVSSYSA-N	-2	3	305.377	1.454	20	30		DDEDHL
CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160684985	280329169	/nfs/dbraw/zinc/32/91/69/280329169.db2.gz	GSPIENRKLJVCQZ-NSHDSACASA-N	-2	3	316.766	1.599	20	30		DDEDHL
O=C([O-])c1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000823392408	607252846	/nfs/dbraw/zinc/25/28/46/607252846.db2.gz	QDRZUENCSNJLOR-UHFFFAOYSA-N	-2	3	322.328	1.689	20	30		DDEDHL
O=C([O-])c1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000823392408	607252847	/nfs/dbraw/zinc/25/28/47/607252847.db2.gz	QDRZUENCSNJLOR-UHFFFAOYSA-N	-2	3	322.328	1.689	20	30		DDEDHL
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000846550422	703295657	/nfs/dbraw/zinc/29/56/57/703295657.db2.gz	SGONQHMZXGCYJR-AAEUAGOBSA-N	-2	3	304.346	1.619	20	30		DDEDHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)CC(=O)[O-]	ZINC000614352698	361819867	/nfs/dbraw/zinc/81/98/67/361819867.db2.gz	YHURWUBDKLGFRW-UHFFFAOYSA-N	-2	3	314.338	1.477	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	ZINC000593271985	355841755	/nfs/dbraw/zinc/84/17/55/355841755.db2.gz	RXEQTSYONPJYLK-UHFFFAOYSA-N	-2	3	300.361	1.153	20	30		DDEDHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160695400	408513182	/nfs/dbraw/zinc/51/31/82/408513182.db2.gz	QJEYIPINZOOHAN-MRVPVSSYSA-N	-2	3	316.766	1.743	20	30		DDEDHL
CC(C)(C)OC(=O)N=c1[n-]cc(C=NNCC(=O)[O-])s1	ZINC000495598125	421031610	/nfs/dbraw/zinc/03/16/10/421031610.db2.gz	XYSXKXUCGAVZOW-UHFFFAOYSA-N	-2	3	300.340	1.498	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000583009190	337228469	/nfs/dbraw/zinc/22/84/69/337228469.db2.gz	VHKDHNOAVIWKEP-LLVKDONJSA-N	-2	3	315.395	1.237	20	30		DDEDHL
C/C(=C/COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC000825758201	601412149	/nfs/dbraw/zinc/41/21/49/601412149.db2.gz	FUEKZZZCMIUZNR-TWGQIWQCSA-N	-2	3	318.329	1.782	20	30		DDEDHL
O=C([O-])c1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000826462508	608110467	/nfs/dbraw/zinc/11/04/67/608110467.db2.gz	ZYIQVBDTTFAADN-UHFFFAOYSA-N	-2	3	309.289	1.406	20	30		DDEDHL
C=CCCC[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-]	ZINC000903059095	711019393	/nfs/dbraw/zinc/01/93/93/711019393.db2.gz	MMMUWOAPBFXXHK-VIFPVBQESA-N	-2	3	318.420	1.793	20	30		DDEDHL
CCOC(=O)c1cc(C#N)c([N-]S(=O)(=O)CC#N)c(C)c1[O-]	ZINC001192980477	745954501	/nfs/dbraw/zinc/95/45/01/745954501.db2.gz	KWARESHWDVPWLR-UHFFFAOYSA-N	-2	3	323.330	1.014	20	30		DDEDHL
O=C(/C=C/C(=O)c1ccccc1)NCCCCP(=O)([O-])[O-]	ZINC001144714257	772601103	/nfs/dbraw/zinc/60/11/03/772601103.db2.gz	OTUHHLUXRWJCJQ-CMDGGOBGSA-N	-2	3	311.274	1.500	20	30		DDEDHL
C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000231791374	354329234	/nfs/dbraw/zinc/32/92/34/354329234.db2.gz	YFMCMULLDXGREY-UHFFFAOYSA-N	-2	3	305.377	1.317	20	30		DDEDHL
CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)[O-]	ZINC000592380083	355571507	/nfs/dbraw/zinc/57/15/07/355571507.db2.gz	LOKGRMKEMFJZBJ-LBPRGKRZSA-N	-2	3	305.334	1.188	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-]	ZINC000593271986	355841801	/nfs/dbraw/zinc/84/18/01/355841801.db2.gz	SCBYAAHZNWZJIF-QMMMGPOBSA-N	-2	3	300.361	1.151	20	30		DDEDHL
N#Cc1sccc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-]	ZINC000593273252	355842442	/nfs/dbraw/zinc/84/24/42/355842442.db2.gz	SSRRZFOXOJQOBH-VIFPVBQESA-N	-2	3	314.388	1.399	20	30		DDEDHL
N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000092181935	193171241	/nfs/dbraw/zinc/17/12/41/193171241.db2.gz	JXXNAAHUGMIIPH-DTWKUNHWSA-N	-2	3	310.306	1.005	20	30		DDEDHL
N#Cc1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])s1	ZINC000230322586	163347077	/nfs/dbraw/zinc/34/70/77/163347077.db2.gz	NDUFVQRFSQXCIC-UHFFFAOYSA-N	-2	3	302.377	1.543	20	30		DDEDHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000572790424	421862613	/nfs/dbraw/zinc/86/26/13/421862613.db2.gz	XLVJNHDXWXCFKD-UHFFFAOYSA-N	-2	3	300.311	1.229	20	30		DDEDHL
Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])cc1	ZINC000579272092	308519971	/nfs/dbraw/zinc/51/99/71/308519971.db2.gz	UWHITSUDWDGJEP-CYBMUJFWSA-N	-2	3	320.326	1.564	20	30		DDEDHL
C=CCCC[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000903059115	711019297	/nfs/dbraw/zinc/01/92/97/711019297.db2.gz	MYCNKDGTYGSEIK-VIFPVBQESA-N	-2	3	304.393	1.539	20	30		DDEDHL
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1c(F)ccc([O-])c1F	ZINC001192553060	745813816	/nfs/dbraw/zinc/81/38/16/745813816.db2.gz	VLDXWIMJAPKYSO-UHFFFAOYSA-N	-2	3	322.227	1.605	20	30		DDEDHL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C#N)ccc1[O-]	ZINC001227350376	882979347	/nfs/dbraw/zinc/97/93/47/882979347.db2.gz	MXASTYPXAWPBJT-LLVKDONJSA-N	-2	3	313.331	1.102	20	30		DDEDHL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc(Cl)cc1[O-]	ZINC001227981517	883267963	/nfs/dbraw/zinc/26/79/63/883267963.db2.gz	XFFTZCDUXOCTTL-VIFPVBQESA-N	-2	3	323.754	1.278	20	30		DDEDHL
CSCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322717	354327033	/nfs/dbraw/zinc/32/70/33/354327033.db2.gz	WKSBMADXZRQIJB-QMMMGPOBSA-N	-2	3	320.417	1.104	20	30		DDEDHL
CC[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593260354	355835986	/nfs/dbraw/zinc/83/59/86/355835986.db2.gz	URHWDDBDNKVIQD-NSHDSACASA-N	-2	3	302.377	1.399	20	30		DDEDHL
CC#CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000274918716	212033014	/nfs/dbraw/zinc/03/30/14/212033014.db2.gz	AMGUNKRRDNFSIR-LLVKDONJSA-N	-2	3	317.313	1.418	20	30		DDEDHL
CCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000160688520	408512605	/nfs/dbraw/zinc/51/26/05/408512605.db2.gz	WOICLENGGZUDST-JTQLQIEISA-N	-2	3	316.766	1.743	20	30		DDEDHL
C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000548196568	421410439	/nfs/dbraw/zinc/41/04/39/421410439.db2.gz	PPRQXWKFJDNSBD-ZETCQYMHSA-N	-2	3	302.739	1.211	20	30		DDEDHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000517700462	421624464	/nfs/dbraw/zinc/62/44/64/421624464.db2.gz	SDZPUYQRLADLIE-SSDOTTSWSA-N	-2	3	323.292	1.802	20	30		DDEDHL
C=CCC[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-]	ZINC000574892765	422207470	/nfs/dbraw/zinc/20/74/70/422207470.db2.gz	MNULGPKRSDYVJO-QMMMGPOBSA-N	-2	3	305.377	1.454	20	30		DDEDHL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1	ZINC000525958368	269954402	/nfs/dbraw/zinc/95/44/02/269954402.db2.gz	PRSFOZUFIZKYPB-UHFFFAOYSA-N	-2	3	324.289	1.467	20	30		DDEDHL
Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])c1	ZINC000554531790	303699963	/nfs/dbraw/zinc/69/99/63/303699963.db2.gz	KZZJPERUTOPMEZ-ZDUSSCGKSA-N	-2	3	320.326	1.564	20	30		DDEDHL
C=C(Cl)C[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000825647226	601579112	/nfs/dbraw/zinc/57/91/12/601579112.db2.gz	HKAYFQYAXPDFFK-UHFFFAOYSA-N	-2	3	311.693	1.694	20	30		DDEDHL
O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000848129991	703510034	/nfs/dbraw/zinc/51/00/34/703510034.db2.gz	DLSUWPKGLQPYCC-SECBINFHSA-N	-2	3	318.251	1.521	20	30		DDEDHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000864449759	706172846	/nfs/dbraw/zinc/17/28/46/706172846.db2.gz	VMYSOPORWYVGOB-JTQLQIEISA-N	-2	3	305.302	1.663	20	30		DDEDHL
CC#CC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-]	ZINC000905987590	712211223	/nfs/dbraw/zinc/21/12/23/712211223.db2.gz	IFWYGEZYRXHWKK-VIFPVBQESA-N	-2	3	316.766	1.188	20	30		DDEDHL