smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccccc1F)c1c([O-])[n-]c(=O)sc1=O	ZINC000020803250	171273035	/nfs/dbraw/zinc/27/30/35/171273035.db2.gz	OKNNFPJZNNBSLW-AATRIKPKSA-N	-2	3	293.275	1.537	10	30		CDEEHL
C=C(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC	ZINC000357144505	266254620	/nfs/dbraw/zinc/25/46/20/266254620.db2.gz	FNGKPFHTKBKVMC-UHFFFAOYSA-N	-2	3	285.321	1.711	10	30		CDEEHL
N#Cc1cc([O-])c(CC(=O)[O-])cc1OC(F)(F)F	ZINC000575391874	364629970	/nfs/dbraw/zinc/62/99/70/364629970.db2.gz	SVCPVMMVNFQHJV-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000361986105	391705773	/nfs/dbraw/zinc/70/57/73/391705773.db2.gz	PMKHRXBTJGVYJZ-UHFFFAOYSA-N	-2	3	291.275	1.981	10	30		CDEEHL
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000830115415	694004510	/nfs/dbraw/zinc/00/45/10/694004510.db2.gz	HJPRUXVHFKVXJR-VIFPVBQESA-N	-2	3	273.310	1.286	10	30		CDEEHL
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000863419618	723685121	/nfs/dbraw/zinc/68/51/21/723685121.db2.gz	DMGCQIPSODGLGG-MRVPVSSYSA-N	-2	3	293.728	1.462	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-]	ZINC000274908946	371197990	/nfs/dbraw/zinc/19/79/90/371197990.db2.gz	JZAAEIPIPCPMDX-SECBINFHSA-N	-2	3	287.312	1.442	10	30		CDEEHL
C[C@H]1C(=NN=c2cc[n-]n2C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814907585	695860166	/nfs/dbraw/zinc/86/01/66/695860166.db2.gz	PQQMMZLYYGDWOO-UWVGGRQHSA-N	-2	3	278.356	1.767	10	30		CDEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1	ZINC000515303453	360471872	/nfs/dbraw/zinc/47/18/72/360471872.db2.gz	DDDCTKOWYWYIJY-VIFPVBQESA-N	-2	3	273.310	1.286	10	30		CDEEHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000630437705	368962366	/nfs/dbraw/zinc/96/23/66/368962366.db2.gz	KBSDFPISLWNCJT-SNVBAGLBSA-N	-2	3	287.312	1.523	10	30		CDEEHL
N#Cc1cc([N-]S(=O)(=O)CCC(=O)[O-])ccc1Cl	ZINC000037464543	173225273	/nfs/dbraw/zinc/22/52/73/173225273.db2.gz	HMWIMXJVWLRQAW-UHFFFAOYSA-N	-2	3	288.712	1.428	10	30		CDEEHL
N#Cc1c(CC(=O)[O-])ccc([O-])c1OC(F)(F)F	ZINC000575391872	364629639	/nfs/dbraw/zinc/62/96/39/364629639.db2.gz	SOWYNHSIRDGCQZ-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230326831	362016324	/nfs/dbraw/zinc/01/63/24/362016324.db2.gz	ZFVQYTZNVZJLNH-RQJHMYQMSA-N	-2	3	288.350	1.007	10	30		CDEEHL
O=C1c2ccc([O-])c(O)c2C(=O)C2=C1C([O-])=CCC2O	ZINC000584640625	346512061	/nfs/dbraw/zinc/51/20/61/346512061.db2.gz	IXUZFGKRMQGTIQ-UHFFFAOYSA-N	-2	3	274.228	1.895	10	30		CDEEHL
N#Cc1c([O-])ccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000514274014	360113102	/nfs/dbraw/zinc/11/31/02/360113102.db2.gz	GWILXRKJMROTGV-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#Cc1cc(N)ccc1S(=O)(=O)[N-]c1cccc([O-])c1	ZINC000040495261	174294240	/nfs/dbraw/zinc/29/42/40/174294240.db2.gz	GQWCFGYXUBDOJQ-UHFFFAOYSA-N	-2	3	289.316	1.647	10	30		CDEEHL
COc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c([O-])c1	ZINC001634234343	1166482145	/nfs/dbraw/zinc/48/21/45/1166482145.db2.gz	BRXJLTGEVXVANT-UHFFFAOYSA-N	-2	3	299.286	1.934	10	30		CDEEHL
N#Cc1cc([O-])cc(I)c1C(=O)[O-]	ZINC000306598436	360653136	/nfs/dbraw/zinc/65/31/36/360653136.db2.gz	GCGVUROUOQHJPG-UHFFFAOYSA-N	-2	3	289.028	1.567	10	30		CDEEHL
O=[N+]([O-])c1ccc(C=NNc2n[n-]c(=S)[n-]2)cc1	ZINC000006331924	170192806	/nfs/dbraw/zinc/19/28/06/170192806.db2.gz	RWYQEUOITJKUDX-BJMVGYQFSA-N	-2	3	264.270	1.821	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-]	ZINC000548199332	334146311	/nfs/dbraw/zinc/14/63/11/334146311.db2.gz	ZLTVXPRNOIWONM-UHFFFAOYSA-N	-2	3	273.285	1.842	10	30		CDEEHL
[O-]c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)nc1	ZINC000755510799	576947765	/nfs/dbraw/zinc/94/77/65/576947765.db2.gz	MKYVAGKLPRYKPT-UHFFFAOYSA-N	-2	3	289.242	1.568	10	30		CDEEHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000630437703	368962455	/nfs/dbraw/zinc/96/24/55/368962455.db2.gz	KBSDFPISLWNCJT-JTQLQIEISA-N	-2	3	287.312	1.523	10	30		CDEEHL
C=C[C@H](C)O[N-]C(=O)c1n[n-]c2ccccc2c1=O	ZINC001631874205	1166309046	/nfs/dbraw/zinc/30/90/46/1166309046.db2.gz	PTYDUOGNCMTNTA-QMMMGPOBSA-N	-2	3	259.265	1.571	10	30		CDEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F	ZINC000577067490	335294750	/nfs/dbraw/zinc/29/47/50/335294750.db2.gz	GIZRYQXCNNAWCG-VIFPVBQESA-N	-2	3	287.312	1.523	10	30		CDEEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H](C)C(=O)[O-]	ZINC000230326834	392757812	/nfs/dbraw/zinc/75/78/12/392757812.db2.gz	ZFVQYTZNVZJLNH-NKWVEPMBSA-N	-2	3	288.350	1.007	10	30		CDEEHL
C=CCCO[N-]C(=O)c1n[n-]c2ccccc2c1=O	ZINC001630753246	1166229510	/nfs/dbraw/zinc/22/95/10/1166229510.db2.gz	BOEIVZVBGSRTNA-UHFFFAOYSA-N	-2	3	259.265	1.573	10	30		CDEEHL
N#Cc1cc([O-])cc(C(=O)NCc2ncccc2[O-])c1	ZINC000619423200	349696282	/nfs/dbraw/zinc/69/62/82/349696282.db2.gz	WOLWBQRJMZDWFG-UHFFFAOYSA-N	-2	3	269.260	1.294	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000161283757	377173149	/nfs/dbraw/zinc/17/31/49/377173149.db2.gz	YTJFXGBUUOCGDI-SNVBAGLBSA-N	-2	3	287.312	1.442	10	30		CDEEHL
Cc1nnc(NN=C2CCc3c2ccc([O-])c3F)[n-]c1=O	ZINC000807951319	788707846	/nfs/dbraw/zinc/70/78/46/788707846.db2.gz	PTJFGQIHFHNMBU-UHFFFAOYSA-N	-2	3	289.270	1.493	10	30		CDEEHL
COC(=O)c1nc(NC(=O)c2cc(C)ccc2[O-])n[n-]1	ZINC000058184045	357382496	/nfs/dbraw/zinc/38/24/96/357382496.db2.gz	WXXTVVGUNJONOI-UHFFFAOYSA-N	-2	3	276.252	1.242	10	30		CDEEHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cn1	ZINC000131391736	279674265	/nfs/dbraw/zinc/67/42/65/279674265.db2.gz	NBSMDFFDIATQFF-UHFFFAOYSA-N	-2	3	293.279	1.599	10	30		CDEEHL
C=CCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000291902752	198100838	/nfs/dbraw/zinc/10/08/38/198100838.db2.gz	QVIZVNAMIWAMLE-UHFFFAOYSA-N	-2	3	285.321	1.798	10	30		CDEEHL
N#Cc1cc([O-])c(OC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575391828	364629360	/nfs/dbraw/zinc/62/93/60/364629360.db2.gz	QOQPWHUVIBQGJL-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=CCCC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000903058880	625809889	/nfs/dbraw/zinc/80/98/89/625809889.db2.gz	KBJVCBDOQQIFEO-VIFPVBQESA-N	-2	3	273.310	1.367	10	30		CDEEHL
CCC(C#N)=C([O-])N=c1[nH][n-]c(C)c1Br	ZINC000597732313	343619359	/nfs/dbraw/zinc/61/93/59/343619359.db2.gz	VOPWEEODLNIHIX-LURJTMIESA-N	-2	3	271.118	1.391	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F	ZINC000361984527	391705985	/nfs/dbraw/zinc/70/59/85/391705985.db2.gz	KCPZPGNXJNDLFH-UHFFFAOYSA-N	-2	3	273.285	1.842	10	30		CDEEHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000630438611	368959239	/nfs/dbraw/zinc/95/92/39/368959239.db2.gz	TVQXKYXJDWETCD-QMMMGPOBSA-N	-2	3	290.366	1.149	10	30		CDEEHL
N#Cc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[O-]	ZINC001363003739	971807452	/nfs/dbraw/zinc/80/74/52/971807452.db2.gz	NFDWLTNKECZPOA-LLVKDONJSA-N	-2	3	298.302	1.322	10	30		CDEEHL
N#CCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000266745277	391179738	/nfs/dbraw/zinc/17/97/38/391179738.db2.gz	AQKTYIOFBPQDLX-UHFFFAOYSA-N	-2	3	284.293	1.136	10	30		CDEEHL
CC(=NN=c1cc[n-]n1C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814907699	842830537	/nfs/dbraw/zinc/83/05/37/842830537.db2.gz	VRDBWUCNRLEHOD-MNOVXSKESA-N	-2	3	278.356	1.767	10	30		CDEEHL
N#Cc1cccc(NC(=O)CCP(=O)([O-])[O-])c1	ZINC000584613157	346499549	/nfs/dbraw/zinc/49/95/49/346499549.db2.gz	HYSJMTTVNWVUIH-UHFFFAOYSA-N	-2	3	254.182	1.065	10	30		CDEEHL
C=C(C)C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000630092312	367724232	/nfs/dbraw/zinc/72/42/32/367724232.db2.gz	CXFBEUFGLRJDME-QMMMGPOBSA-N	-2	3	275.351	1.446	10	30		CDEEHL
C=C(C)CO[N-]C(=O)c1n[n-]c2ccccc2c1=O	ZINC001164450918	939474329	/nfs/dbraw/zinc/47/43/29/939474329.db2.gz	LXMXRZAVFXPKSI-UHFFFAOYSA-N	-2	3	259.265	1.573	10	30		CDEEHL
N#Cc1cc(OC(F)(F)F)cc([O-])c1CC(=O)[O-]	ZINC000575391501	391312278	/nfs/dbraw/zinc/31/22/78/391312278.db2.gz	KURBKJZWWIAEOP-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#Cc1cc([O-])cc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575391465	391312348	/nfs/dbraw/zinc/31/23/48/391312348.db2.gz	IKVGZUDIEUYPIO-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1	ZINC000515303452	360471865	/nfs/dbraw/zinc/47/18/65/360471865.db2.gz	DDDCTKOWYWYIJY-SECBINFHSA-N	-2	3	273.310	1.286	10	30		CDEEHL
CCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254452	342781225	/nfs/dbraw/zinc/78/12/25/342781225.db2.gz	IWQGOWMCFXSNIT-ZETCQYMHSA-N	-2	3	288.350	1.151	10	30		CDEEHL
C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H](C)C(=O)[O-]	ZINC000593271526	342782543	/nfs/dbraw/zinc/78/25/43/342782543.db2.gz	HSJJVYCPPVTWDP-BQBZGAKWSA-N	-2	3	288.350	1.007	10	30		CDEEHL
[O-]/N=C1\C=C/C(=N\[O-])c2nn(-c3ccccc3)nc21	ZINC000584657239	397612704	/nfs/dbraw/zinc/61/27/04/397612704.db2.gz	GIHQIIZJFXVBHS-KAVGSWPWSA-N	-2	3	255.237	1.194	10	30		CDEEHL
N#Cc1cc([O-])cc(C(=O)[O-])c1I	ZINC000306607472	358570796	/nfs/dbraw/zinc/57/07/96/358570796.db2.gz	UIEFOFBPQRDOTD-UHFFFAOYSA-N	-2	3	289.028	1.567	10	30		CDEEHL
O=c1[n-][n-]c(=O)n1N=Cc1cc(Cl)c([O-])cc1Cl	ZINC000814231606	682357542	/nfs/dbraw/zinc/35/75/42/682357542.db2.gz	AMXUAMFAWVHGLG-UHFFFAOYSA-N	-3	3	289.078	1.584	10	30		CDEEHL
C=C[C@@H](C)O[N-]C(=O)c1n[n-]c2ccccc2c1=O	ZINC001631874204	1166308853	/nfs/dbraw/zinc/30/88/53/1166308853.db2.gz	PTYDUOGNCMTNTA-MRVPVSSYSA-N	-2	3	259.265	1.571	10	30		CDEEHL
CCCS(=O)(=O)[N-]c1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000086113025	179234023	/nfs/dbraw/zinc/23/40/23/179234023.db2.gz	FCJVGNHKDOZYKE-UHFFFAOYSA-N	-2	3	291.760	1.586	10	30		CDEEHL
C=CCC(F)(F)C(=O)[N-][C@@H](CCC)c1nn[n-]n1	ZINC000294888782	199232422	/nfs/dbraw/zinc/23/24/22/199232422.db2.gz	IKRZIWKFPXJONZ-ZETCQYMHSA-N	-2	3	259.260	1.369	10	30		CDEEHL
C[C@@H]1CC(=NN=c2cc[n-]n2C)CC[C@@H]1C(=O)[O-]	ZINC000814907389	693129162	/nfs/dbraw/zinc/12/91/62/693129162.db2.gz	HPMQRGIMKDAEAA-SCZZXKLOSA-N	-2	3	250.302	1.131	10	30		CDEEHL
Cn1[n-]ccc1=NN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814907394	694824974	/nfs/dbraw/zinc/82/49/74/694824974.db2.gz	HRPDOCWAYPRNTO-UHFFFAOYSA-N	-2	3	284.319	1.497	10	30		CDEEHL
C=CCO[N-]C(=O)c1c(C)[n-]c(=O)nc1SC	ZINC001297992106	955106796	/nfs/dbraw/zinc/10/67/96/955106796.db2.gz	WAFKPIAUQZKSDB-UHFFFAOYSA-N	-2	3	255.299	1.060	10	30		CDEEHL
N#Cc1ccc([O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1	ZINC001137934187	936437672	/nfs/dbraw/zinc/43/76/72/936437672.db2.gz	MEEJJCDHXUIPJL-UHFFFAOYSA-N	-2	3	296.286	1.889	10	30		CDEEHL
C=CCCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-]	ZINC000910922133	618601017	/nfs/dbraw/zinc/60/10/17/618601017.db2.gz	HLBQZVTWRSZOBA-LBPRGKRZSA-N	-2	3	293.319	1.940	10	30		CDEEHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256232	342781534	/nfs/dbraw/zinc/78/15/34/342781534.db2.gz	GWMCUKHIYBVWCK-ZETCQYMHSA-N	-2	3	288.350	1.151	10	30		CDEEHL
COc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)n[n-]1	ZINC000183000554	148282078	/nfs/dbraw/zinc/28/20/78/148282078.db2.gz	NUBXSVZMLWPNPE-UHFFFAOYSA-N	-2	3	279.206	1.215	10	30		CDEEHL
N#Cc1ccc([O-])c(NC(=O)c2ccc([O-])cn2)c1	ZINC001624287288	1165831800	/nfs/dbraw/zinc/83/18/00/1165831800.db2.gz	CRIKWAYDHLRKTE-UHFFFAOYSA-N	-2	3	255.233	1.617	10	30		CDEEHL
C=CCO[N-]C(=O)c1c(C)nc(C(C)C)[n-]c1=O	ZINC001468107748	970127279	/nfs/dbraw/zinc/12/72/79/970127279.db2.gz	YLXPFIQRMRXEIO-UHFFFAOYSA-N	-2	3	251.286	1.461	10	30		CDEEHL
N#Cc1cc(OC(F)(F)F)cc(CC(=O)[O-])c1[O-]	ZINC000575391201	364626913	/nfs/dbraw/zinc/62/69/13/364626913.db2.gz	AYFSEKDRKMSWGA-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
COc1ccc(C=NNc2n[n-]c(=S)[n-]2)cc1OC	ZINC000006246887	170185301	/nfs/dbraw/zinc/18/53/01/170185301.db2.gz	SJVJVBOMMGVISP-WUXMJOGZSA-N	-2	3	279.325	1.930	10	30		CDEEHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593271529	342782614	/nfs/dbraw/zinc/78/26/14/342782614.db2.gz	HSJJVYCPPVTWDP-RQJHMYQMSA-N	-2	3	288.350	1.007	10	30		CDEEHL
O=C(c1ccccc1)N(O)CCCP(=O)([O-])[O-]	ZINC000013644061	356686476	/nfs/dbraw/zinc/68/64/76/356686476.db2.gz	IIWMVQGECOWGCK-UHFFFAOYSA-N	-2	3	259.198	1.086	10	30		CDEEHL
COc1c(Br)cc(/C=N\[O-])cc1CC(=O)[O-]	ZINC000575601614	370575188	/nfs/dbraw/zinc/57/51/88/370575188.db2.gz	FTFCBZCQMIQXIC-XGICHPGQSA-N	-2	3	288.097	1.893	10	30		CDEEHL
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230326131	345192561	/nfs/dbraw/zinc/19/25/61/345192561.db2.gz	OYNMAJSDFXSBGP-SSDOTTSWSA-N	-2	3	288.350	1.009	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000161280872	539117403	/nfs/dbraw/zinc/11/74/03/539117403.db2.gz	CUOLQPFWOGTJKE-JTQLQIEISA-N	-2	3	291.275	1.272	10	30		CDEEHL
N#Cc1ccc(OC(F)(F)F)c([O-])c1CC(=O)[O-]	ZINC000575391597	364628213	/nfs/dbraw/zinc/62/82/13/364628213.db2.gz	BJUWRVJRQNSNSQ-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
O=C(/C=C/c1cccs1)c1c([O-])[n-]c(=O)sc1=O	ZINC000020803257	171273297	/nfs/dbraw/zinc/27/32/97/171273297.db2.gz	VLMUYAQZFFLUEH-ONEGZZNKSA-N	-2	3	281.314	1.460	10	30		CDEEHL
N#CCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000274872019	263031422	/nfs/dbraw/zinc/03/14/22/263031422.db2.gz	AUGQXVMHENCSII-UHFFFAOYSA-N	-2	3	284.293	1.136	10	30		CDEEHL
N#CCCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000274895155	263031294	/nfs/dbraw/zinc/03/12/94/263031294.db2.gz	GYIQMCPQWHMMQL-UHFFFAOYSA-N	-2	3	298.320	1.526	10	30		CDEEHL
C=C(C)C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000909050098	628491456	/nfs/dbraw/zinc/49/14/56/628491456.db2.gz	WYLVLJXVYICGQI-NSHDSACASA-N	-2	3	296.298	1.750	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000161280984	539117388	/nfs/dbraw/zinc/11/73/88/539117388.db2.gz	CUOLQPFWOGTJKE-SNVBAGLBSA-N	-2	3	291.275	1.272	10	30		CDEEHL
N/C(=N/[O-])c1ccc(Cl)cc1[N-]S(=O)(=O)C1CC1	ZINC000086113034	179234118	/nfs/dbraw/zinc/23/41/18/179234118.db2.gz	YXPYCBPIXYXAQO-UHFFFAOYSA-N	-2	3	289.744	1.339	10	30		CDEEHL
N#Cc1cc(F)cc(C2(C(=O)N=c3ccc([O-])n[n-]3)CC2)c1	ZINC000343721519	152278937	/nfs/dbraw/zinc/27/89/37/152278937.db2.gz	MAOVOQISRRBTEY-UHFFFAOYSA-N	-2	3	298.277	1.285	10	30		CDEEHL
C=CCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000291814778	378479782	/nfs/dbraw/zinc/47/97/82/378479782.db2.gz	DEKLHQXQCLKTNJ-UHFFFAOYSA-N	-2	3	285.321	1.798	10	30		CDEEHL
CN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1[O-]	ZINC000040547380	174325624	/nfs/dbraw/zinc/32/56/24/174325624.db2.gz	YLCOIVJMCOHVJY-UHFFFAOYSA-N	-2	3	263.253	1.468	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000351655691	361843907	/nfs/dbraw/zinc/84/39/07/361843907.db2.gz	LLNGGQRYPWMWAO-UHFFFAOYSA-N	-2	3	273.285	1.842	10	30		CDEEHL
COC(=O)c1ccc(C=NNc2n[n-]c(=S)[n-]2)cc1	ZINC000020805898	171273425	/nfs/dbraw/zinc/27/34/25/171273425.db2.gz	PSMRYEYMINVKIS-WUXMJOGZSA-N	-2	3	277.309	1.700	10	30		CDEEHL
C=C(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000584204585	327063768	/nfs/dbraw/zinc/06/37/68/327063768.db2.gz	RLJBVADWWIUADI-UHFFFAOYSA-N	-2	3	271.294	1.408	10	30		CDEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1	ZINC000567218143	370917084	/nfs/dbraw/zinc/91/70/84/370917084.db2.gz	WLRMEYLUVIIJLG-MRVPVSSYSA-N	-2	3	275.351	1.446	10	30		CDEEHL
N#Cc1c([O-])c(OC(F)(F)F)ccc1CC(=O)[O-]	ZINC000575391897	364630893	/nfs/dbraw/zinc/63/08/93/364630893.db2.gz	UKLUUFGUCZLALT-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#Cc1cc(OC(F)(F)F)c(CC(=O)[O-])cc1[O-]	ZINC000575391944	364631160	/nfs/dbraw/zinc/63/11/60/364631160.db2.gz	XTALRRSUAMUPOR-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#Cc1c[n-]n2c1nc([O-])c(-c1ccccc1)c2=O	ZINC000071474366	176186476	/nfs/dbraw/zinc/18/64/76/176186476.db2.gz	UOTRFROPJNTIOP-UHFFFAOYSA-N	-2	3	252.233	1.679	10	30		CDEEHL
O=C([O-])c1cccc(NN=Cc2ccc([O-])cn2)c1	ZINC000755471529	576946168	/nfs/dbraw/zinc/94/61/68/576946168.db2.gz	GEUFDRQBTDRSEW-UHFFFAOYSA-N	-2	3	257.249	1.931	10	30		CDEEHL
C=C(C)C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000909050097	628491571	/nfs/dbraw/zinc/49/15/71/628491571.db2.gz	WYLVLJXVYICGQI-LLVKDONJSA-N	-2	3	296.298	1.750	10	30		CDEEHL
N#Cc1cccc(O[N-]C(=O)c2cnc(C3CC3)[n-]c2=O)c1	ZINC001302374054	956007777	/nfs/dbraw/zinc/00/77/77/956007777.db2.gz	QMPIFLNGPONLBP-UHFFFAOYSA-N	-2	3	296.286	1.655	10	30		CDEEHL
C=CCN=C([S-])NN=Cc1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000006692246	170226373	/nfs/dbraw/zinc/22/63/73/170226373.db2.gz	UURYVTAUSFWKFP-AWNIVKPZSA-N	-3	3	296.308	1.401	10	30		CDEEHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000630438610	368958973	/nfs/dbraw/zinc/95/89/73/368958973.db2.gz	TVQXKYXJDWETCD-MRVPVSSYSA-N	-2	3	290.366	1.149	10	30		CDEEHL
Cc1c(C(=O)[O-])oc2c1C(=NN=c1cc[n-]n1C)CCC2	ZINC000774415684	575203674	/nfs/dbraw/zinc/20/36/74/575203674.db2.gz	RBVMFCCOTZVCNG-UHFFFAOYSA-N	-2	3	288.307	1.594	10	30		CDEEHL
Cc1cc(Cl)cc(C=Nn2c(=O)cn[n-]c2=S)c1[O-]	ZINC000766475704	576106240	/nfs/dbraw/zinc/10/62/40/576106240.db2.gz	XHTVPWFAXWTOSC-UHFFFAOYSA-N	-2	3	296.739	1.477	10	30		CDEEHL
C[C@@H]1C(=NN=c2cc[n-]n2C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814907587	698317639	/nfs/dbraw/zinc/31/76/39/698317639.db2.gz	PQQMMZLYYGDWOO-ZJUUUORDSA-N	-2	3	278.356	1.767	10	30		CDEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cs1	ZINC000577157640	335311533	/nfs/dbraw/zinc/31/15/33/335311533.db2.gz	WYGDWACDJZHWSN-SECBINFHSA-N	-2	3	289.378	1.754	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000161295620	539117471	/nfs/dbraw/zinc/11/74/71/539117471.db2.gz	LEJKSVHTBWGWCL-SECBINFHSA-N	-2	3	291.275	1.272	10	30		CDEEHL
N#Cc1cc(CC(=O)[O-])cc([O-])c1OC(F)(F)F	ZINC000575391781	364629577	/nfs/dbraw/zinc/62/95/77/364629577.db2.gz	OROLBBRKFGFWBH-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000629332507	361841732	/nfs/dbraw/zinc/84/17/32/361841732.db2.gz	KEXAXKZMABFXPZ-UHFFFAOYSA-N	-2	3	287.337	1.858	10	30		CDEEHL
O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc([O-])cn1	ZINC000755616241	576952341	/nfs/dbraw/zinc/95/23/41/576952341.db2.gz	AIQSXITYUUOBRN-UHFFFAOYSA-N	-2	3	298.327	1.668	10	30		CDEEHL
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593270302	342782328	/nfs/dbraw/zinc/78/23/28/342782328.db2.gz	NJXDCCDTAWNSOO-UHFFFAOYSA-N	-2	3	288.350	1.151	10	30		CDEEHL
C=C(C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000910288056	628964129	/nfs/dbraw/zinc/96/41/29/628964129.db2.gz	UTOUBTUBCOICFM-LLVKDONJSA-N	-2	3	281.283	1.609	10	30		CDEEHL
N#Cc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[O-]	ZINC001363003760	971807692	/nfs/dbraw/zinc/80/76/92/971807692.db2.gz	NFDWLTNKECZPOA-NSHDSACASA-N	-2	3	298.302	1.322	10	30		CDEEHL
C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593256231	342781545	/nfs/dbraw/zinc/78/15/45/342781545.db2.gz	GWMCUKHIYBVWCK-SSDOTTSWSA-N	-2	3	288.350	1.151	10	30		CDEEHL
Cc1nc(C)c(CC(=O)[N-]Oc2cccc(C#N)c2)c(=O)[n-]1	ZINC001454681915	968525333	/nfs/dbraw/zinc/52/53/33/968525333.db2.gz	FSYCQQTWHBCYBL-UHFFFAOYSA-N	-2	3	298.302	1.323	10	30		CDEEHL
N#Cc1cc([O-])c(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000575391235	364621913	/nfs/dbraw/zinc/62/19/13/364621913.db2.gz	BEVZVFWYDMDOSU-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#CCCCS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000265428606	391155680	/nfs/dbraw/zinc/15/56/80/391155680.db2.gz	QTLZANUDRIIIMW-UHFFFAOYSA-N	-2	3	286.284	1.569	10	30		CDEEHL
O=C(/C=C/c1ccccc1)c1c([O-])[n-]c(=O)sc1=O	ZINC000020803222	171273182	/nfs/dbraw/zinc/27/31/82/171273182.db2.gz	YNHQAEIFDJARJI-VOTSOKGWSA-N	-2	3	275.285	1.398	10	30		CDEEHL
N#Cc1ccc([O-])c(NC(=O)c2cc(=O)[n-]cn2)c1	ZINC001546333165	976187666	/nfs/dbraw/zinc/18/76/66/976187666.db2.gz	VJERKVCMODCNAQ-UHFFFAOYSA-N	-2	3	256.221	1.012	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-]	ZINC000274980941	356889630	/nfs/dbraw/zinc/88/96/30/356889630.db2.gz	XRPOZQQBWYZMCT-SNVBAGLBSA-N	-2	3	287.312	1.442	10	30		CDEEHL
C=C(C)C[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-]	ZINC000630319414	368718755	/nfs/dbraw/zinc/71/87/55/368718755.db2.gz	AALVRPASHREXSG-LLVKDONJSA-N	-2	3	263.293	1.850	10	30		CDEEHL
N#Cc1ccc(C=Nn2c(=O)[n-][n-]c2=O)c(C(F)(F)F)c1	ZINC000814232596	734935240	/nfs/dbraw/zinc/93/52/40/734935240.db2.gz	DNTPNBJINYJCMN-UHFFFAOYSA-N	-2	3	297.196	1.462	10	30		CDEEHL
N#CCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F	ZINC000548198831	334146369	/nfs/dbraw/zinc/14/63/69/334146369.db2.gz	LBKHUJKYGPPXLR-UHFFFAOYSA-N	-2	3	286.284	1.569	10	30		CDEEHL
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NN=c1cc[n-]n1C	ZINC000814907772	738877141	/nfs/dbraw/zinc/87/71/41/738877141.db2.gz	ZHUUARUUDDUPEK-IUCAKERBSA-N	-2	3	250.302	1.131	10	30		CDEEHL
N#Cc1cccc(NC(=O)CCCP(=O)([O-])[O-])c1	ZINC000096907968	185128306	/nfs/dbraw/zinc/12/83/06/185128306.db2.gz	CMNJUUFHXITLGT-UHFFFAOYSA-N	-2	3	268.209	1.455	10	30		CDEEHL
C=C(C)C[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-]	ZINC000630320067	368719175	/nfs/dbraw/zinc/71/91/75/368719175.db2.gz	OKOVMTZNKZZNGX-NSHDSACASA-N	-2	3	279.292	1.550	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F	ZINC000548260575	334147873	/nfs/dbraw/zinc/14/78/73/334147873.db2.gz	IGHBLVHMAWSUPE-UHFFFAOYSA-N	-2	3	291.275	1.981	10	30		CDEEHL
CC1C(=O)c2cccc([O-])c2C(=O)C1=CCC(=O)[O-]	ZINC000013861896	356695885	/nfs/dbraw/zinc/69/58/85/356695885.db2.gz	NXZAUINGPRFZPU-UHFFFAOYSA-N	-2	3	260.245	1.953	10	30		CDEEHL
N#Cc1c([O-])ccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575391442	369997451	/nfs/dbraw/zinc/99/74/51/369997451.db2.gz	HWXIZPKANFYNIS-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1	ZINC000581235606	336029002	/nfs/dbraw/zinc/02/90/02/336029002.db2.gz	ZSHVIROFAJNROU-MRVPVSSYSA-N	-2	3	290.366	1.149	10	30		CDEEHL
C[C@H]1CC(=NN=c2cc[n-]n2C)CC[C@@H]1C(=O)[O-]	ZINC000814907391	754355748	/nfs/dbraw/zinc/35/57/48/754355748.db2.gz	HPMQRGIMKDAEAA-WPRPVWTQSA-N	-2	3	250.302	1.131	10	30		CDEEHL
Cn1[n-]ccc1=NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814907737	755816096	/nfs/dbraw/zinc/81/60/96/755816096.db2.gz	XMUFIFSWBRKZND-UHFFFAOYSA-N	-2	3	284.319	1.426	10	30		CDEEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H](C)C(=O)[O-]	ZINC000230326828	391376620	/nfs/dbraw/zinc/37/66/20/391376620.db2.gz	ZFVQYTZNVZJLNH-RNFRBKRXSA-N	-2	3	288.350	1.007	10	30		CDEEHL
CC(C)n1cc(C=NNc2n[n-]c(=S)[n-]2)cn1	ZINC000020827494	171274173	/nfs/dbraw/zinc/27/41/73/171274173.db2.gz	JESBUWPHQLWPGO-XCVCLJGOSA-N	-2	3	251.319	1.691	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-]	ZINC000269299603	132152191	/nfs/dbraw/zinc/15/21/91/132152191.db2.gz	QBPCVRBZRGOSAB-UHFFFAOYSA-N	-2	3	285.321	1.711	10	30		CDEEHL
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccccc1[O-]	ZINC001597056545	1174257243	/nfs/dbraw/zinc/25/72/43/1174257243.db2.gz	HZZZAYXLWZHOFD-UHFFFAOYSA-N	-2	3	269.260	1.925	10	30		CDEEHL
NC1=C([O-])C(=O)c2c([O-])c(Cl)c(Cl)c([O-])c2C1=O	ZINC000584630885	346505915	/nfs/dbraw/zinc/50/59/15/346505915.db2.gz	FQIQJHDAZHUXRC-UHFFFAOYSA-N	-3	3	290.058	1.512	10	30		CDEEHL
C=CCCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000903058879	625810149	/nfs/dbraw/zinc/81/01/49/625810149.db2.gz	KBJVCBDOQQIFEO-SECBINFHSA-N	-2	3	273.310	1.367	10	30		CDEEHL
CCS(=O)(=O)[N-]c1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000086113026	179234369	/nfs/dbraw/zinc/23/43/69/179234369.db2.gz	BIDRODDHUVTBMK-UHFFFAOYSA-N	-2	3	277.733	1.196	10	30		CDEEHL
N#Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1[O-]	ZINC000352982532	374504523	/nfs/dbraw/zinc/50/45/23/374504523.db2.gz	CPWJMRIZWNGANX-CYBMUJFWSA-N	-2	3	298.302	1.513	10	30		CDEEHL
C=CCCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-]	ZINC000910922131	618601226	/nfs/dbraw/zinc/60/12/26/618601226.db2.gz	HLBQZVTWRSZOBA-GFCCVEGCSA-N	-2	3	293.319	1.940	10	30		CDEEHL
C[C@H]1CC(=NN=c2cc[n-]n2C)CC[C@H]1C(=O)[O-]	ZINC000814907390	793792171	/nfs/dbraw/zinc/79/21/71/793792171.db2.gz	HPMQRGIMKDAEAA-WCBMZHEXSA-N	-2	3	250.302	1.131	10	30		CDEEHL
COc1ccc([O-])cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359722078	158351394	/nfs/dbraw/zinc/35/13/94/158351394.db2.gz	FAVAIWCAKOXCRS-UHFFFAOYSA-N	-2	3	298.302	1.547	10	30		CDEEHL
N#Cc1ccc([N-]S(=O)(=O)CC(=O)[O-])cc1Cl	ZINC000037393385	173173808	/nfs/dbraw/zinc/17/38/08/173173808.db2.gz	NMGSDGQAUJLOET-UHFFFAOYSA-N	-2	3	274.685	1.038	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000547869518	334128632	/nfs/dbraw/zinc/12/86/32/334128632.db2.gz	COQQKAFZQYSWPR-UHFFFAOYSA-N	-2	3	271.294	1.408	10	30		CDEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cs1	ZINC000577157642	335311593	/nfs/dbraw/zinc/31/15/93/335311593.db2.gz	WYGDWACDJZHWSN-VIFPVBQESA-N	-2	3	289.378	1.754	10	30		CDEEHL
O=C1CN(N=Cc2cc(Cl)c([O-])cc2Cl)C(=O)[N-]1	ZINC000758098213	577071769	/nfs/dbraw/zinc/07/17/69/577071769.db2.gz	BRWWLFUOEUCKQT-UHFFFAOYSA-N	-2	3	288.090	1.585	10	30		CDEEHL
C=C(C)C(=O)OCCCCCCP(=O)([O-])[O-]	ZINC000217907415	344856805	/nfs/dbraw/zinc/85/68/05/344856805.db2.gz	AURJDXCVGVRNBW-UHFFFAOYSA-N	-2	3	250.231	1.844	10	30		CDEEHL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F	ZINC000577067489	335294744	/nfs/dbraw/zinc/29/47/44/335294744.db2.gz	GIZRYQXCNNAWCG-SECBINFHSA-N	-2	3	287.312	1.523	10	30		CDEEHL
Cc1ccc([O-])c(C=NNc2nc(C)cc(=O)[n-]2)n1	ZINC000728777603	574645281	/nfs/dbraw/zinc/64/52/81/574645281.db2.gz	IZNXBGQFWSVHRH-UHFFFAOYSA-N	-2	3	259.269	1.346	10	30		CDEEHL
N#CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000265425692	391155420	/nfs/dbraw/zinc/15/54/20/391155420.db2.gz	QAVSACUITNMJEO-UHFFFAOYSA-N	-2	3	286.284	1.569	10	30		CDEEHL
Cc1cc(Cl)cc(C=NNc2nnc(C)c(=O)[n-]2)c1[O-]	ZINC000774572620	575215933	/nfs/dbraw/zinc/21/59/33/575215933.db2.gz	BEZGMVBUBQRTCQ-UHFFFAOYSA-N	-2	3	293.714	1.999	10	30		CDEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1	ZINC000581235611	336029044	/nfs/dbraw/zinc/02/90/44/336029044.db2.gz	ZSHVIROFAJNROU-QMMMGPOBSA-N	-2	3	290.366	1.149	10	30		CDEEHL
C[C@H]1C(=NN=c2cc[n-]n2C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814907586	698723044	/nfs/dbraw/zinc/72/30/44/698723044.db2.gz	PQQMMZLYYGDWOO-VHSXEESVSA-N	-2	3	278.356	1.767	10	30		CDEEHL
N#Cc1ccc(C(=O)NCc2ncccc2[O-])cc1[O-]	ZINC000352505618	155233998	/nfs/dbraw/zinc/23/39/98/155233998.db2.gz	ADOWUYOGLBCWEK-UHFFFAOYSA-N	-2	3	269.260	1.294	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000547865913	334128345	/nfs/dbraw/zinc/12/83/45/334128345.db2.gz	ISWNEALRIDDCER-UHFFFAOYSA-N	-3	3	271.294	1.408	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-]	ZINC000547865913	334128347	/nfs/dbraw/zinc/12/83/47/334128347.db2.gz	ISWNEALRIDDCER-UHFFFAOYSA-N	-3	3	271.294	1.408	10	30		CDEEHL
CCc1ccc(C#CC(=O)NCc2nc([O-])cc(=O)[n-]2)cc1	ZINC001149283795	937166883	/nfs/dbraw/zinc/16/68/83/937166883.db2.gz	HRAGPROMWGRMHA-UHFFFAOYSA-N	-2	3	297.314	1.118	10	30		CDEEHL
C=C(C)C[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-]	ZINC000630320066	368718690	/nfs/dbraw/zinc/71/86/90/368718690.db2.gz	OKOVMTZNKZZNGX-LLVKDONJSA-N	-2	3	279.292	1.550	10	30		CDEEHL
C=C(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000685901791	483253983	/nfs/dbraw/zinc/25/39/83/483253983.db2.gz	OIAGMNODMDENOE-UHFFFAOYSA-N	-2	3	271.294	1.408	10	30		CDEEHL
N#Cc1c(OC(F)(F)F)ccc([O-])c1CC(=O)[O-]	ZINC000575391386	391311552	/nfs/dbraw/zinc/31/15/52/391311552.db2.gz	FFOQUAVZBGVFAK-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000830115412	678256438	/nfs/dbraw/zinc/25/64/38/678256438.db2.gz	HJPRUXVHFKVXJR-SECBINFHSA-N	-2	3	273.310	1.286	10	30		CDEEHL
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN=c1cc[n-]n1C	ZINC000814907770	678461510	/nfs/dbraw/zinc/46/15/10/678461510.db2.gz	ZHUUARUUDDUPEK-BDAKNGLRSA-N	-2	3	250.302	1.131	10	30		CDEEHL
C=C(C)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-]	ZINC000910288057	628963849	/nfs/dbraw/zinc/96/38/49/628963849.db2.gz	UTOUBTUBCOICFM-NSHDSACASA-N	-2	3	281.283	1.609	10	30		CDEEHL
O=C(/C=C/c1cccc(F)c1)c1c([O-])[n-]c(=O)sc1=O	ZINC000020803247	171273120	/nfs/dbraw/zinc/27/31/20/171273120.db2.gz	XYKMVIJZJQBJOE-SNAWJCMRSA-N	-2	3	293.275	1.537	10	30		CDEEHL
C=CCc1cccc(C=N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1[O-]	ZINC000006361827	341999508	/nfs/dbraw/zinc/99/95/08/341999508.db2.gz	QUNLTXDFOILNDH-GHIJENOOSA-N	-2	3	299.330	1.959	10	30		CDEEHL
C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H](C)C(=O)[O-]	ZINC000593271527	342782641	/nfs/dbraw/zinc/78/26/41/342782641.db2.gz	HSJJVYCPPVTWDP-NKWVEPMBSA-N	-2	3	288.350	1.007	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-]	ZINC000548237021	330044769	/nfs/dbraw/zinc/04/47/69/330044769.db2.gz	AAXKLLGKAHSSCK-UHFFFAOYSA-N	-2	3	273.285	1.842	10	30		CDEEHL
C=CCOc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291396	374273633	/nfs/dbraw/zinc/27/36/33/374273633.db2.gz	LZTFTAOBSRLIRY-UHFFFAOYSA-N	-2	3	296.290	1.182	10	30		CDEEHL
C=CCOc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291396	374273636	/nfs/dbraw/zinc/27/36/36/374273636.db2.gz	LZTFTAOBSRLIRY-UHFFFAOYSA-N	-2	3	296.290	1.182	10	30		CDEEHL
C=CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000361980587	266914128	/nfs/dbraw/zinc/91/41/28/266914128.db2.gz	BTRIQXKKPCCTNK-UHFFFAOYSA-N	-2	3	273.285	1.842	10	30		CDEEHL
C[C@H]1C[C@H](C(=O)[O-])CCC1=NN=c1cc[n-]n1C	ZINC000814907771	729813787	/nfs/dbraw/zinc/81/37/87/729813787.db2.gz	ZHUUARUUDDUPEK-DTWKUNHWSA-N	-2	3	250.302	1.131	10	30		CDEEHL
C=CCc1cccc(C=N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1[O-]	ZINC000006361825	341999529	/nfs/dbraw/zinc/99/95/29/341999529.db2.gz	QUNLTXDFOILNDH-PVJNQWLSSA-N	-2	3	299.330	1.959	10	30		CDEEHL
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(=O)[O-]	ZINC000230326134	349776923	/nfs/dbraw/zinc/77/69/23/349776923.db2.gz	OYNMAJSDFXSBGP-ZETCQYMHSA-N	-2	3	288.350	1.009	10	30		CDEEHL
COc1ccc(C=NNc2n[n-]c(=S)[n-]2)c(OC)c1	ZINC000254395660	374703745	/nfs/dbraw/zinc/70/37/45/374703745.db2.gz	QVNOASKSCZFVQN-UHFFFAOYSA-N	-2	3	279.325	1.930	10	30		CDEEHL
C[C@@H]1CC(=NN=c2cc[n-]n2C)CC[C@H]1C(=O)[O-]	ZINC000814907388	733214704	/nfs/dbraw/zinc/21/47/04/733214704.db2.gz	HPMQRGIMKDAEAA-PSASIEDQSA-N	-2	3	250.302	1.131	10	30		CDEEHL
C=CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000837047969	734069659	/nfs/dbraw/zinc/06/96/59/734069659.db2.gz	OHPIOHAZRDHXBZ-LBPRGKRZSA-N	-2	3	290.319	1.231	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-]	ZINC000274980940	356889648	/nfs/dbraw/zinc/88/96/48/356889648.db2.gz	XRPOZQQBWYZMCT-JTQLQIEISA-N	-2	3	287.312	1.442	10	30		CDEEHL
N#Cc1ccc(CC(=O)[O-])c([O-])c1OC(F)(F)F	ZINC000514275995	360113447	/nfs/dbraw/zinc/11/34/47/360113447.db2.gz	NMMKKXAZAWSNBC-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000630092308	367724152	/nfs/dbraw/zinc/72/41/52/367724152.db2.gz	CXFBEUFGLRJDME-MRVPVSSYSA-N	-2	3	275.351	1.446	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000161283661	364474671	/nfs/dbraw/zinc/47/46/71/364474671.db2.gz	YTJFXGBUUOCGDI-JTQLQIEISA-N	-2	3	287.312	1.442	10	30		CDEEHL
Cc1noc(=NC([O-])=CSc2ccc(C#N)cc2F)[n-]1	ZINC000356060480	157339293	/nfs/dbraw/zinc/33/92/93/157339293.db2.gz	QOIIZVBRICQQIC-UHFFFAOYSA-N	-2	3	292.295	1.542	10	30		CDEEHL
Cc1ccc(/C(N)=N/[O-])cc1[N-]S(=O)(=O)C(F)F	ZINC000050436615	525940863	/nfs/dbraw/zinc/94/08/63/525940863.db2.gz	ZYCNQRWYEAMCHL-UHFFFAOYSA-N	-2	3	279.268	1.054	10	30		CDEEHL
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1[O-]	ZINC000575391933	364631083	/nfs/dbraw/zinc/63/10/83/364631083.db2.gz	WNJCYSOZBWRQGC-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
N#CCCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000274913735	263031474	/nfs/dbraw/zinc/03/14/74/263031474.db2.gz	LEQPHUMHGRTBPF-UHFFFAOYSA-N	-2	3	298.320	1.526	10	30		CDEEHL
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1[O-]	ZINC000514275929	360113166	/nfs/dbraw/zinc/11/31/66/360113166.db2.gz	GMAXIEBNJJZQPW-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-]	ZINC000274908950	371197725	/nfs/dbraw/zinc/19/77/25/371197725.db2.gz	JZAAEIPIPCPMDX-VIFPVBQESA-N	-2	3	287.312	1.442	10	30		CDEEHL
N#Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1[O-]	ZINC000352982539	374503445	/nfs/dbraw/zinc/50/34/45/374503445.db2.gz	CPWJMRIZWNGANX-ZDUSSCGKSA-N	-2	3	298.302	1.513	10	30		CDEEHL
N#Cc1ccc([O-])c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1	ZINC001447053177	966689417	/nfs/dbraw/zinc/68/94/17/966689417.db2.gz	YVIVNGNQTVPUBA-UHFFFAOYSA-N	-2	3	296.286	1.889	10	30		CDEEHL
CCCN(C)S(=O)(=O)[N-]c1cc(C#N)ccc1[O-]	ZINC000765095771	575985902	/nfs/dbraw/zinc/98/59/02/575985902.db2.gz	NJMOSDNWHJMJHM-UHFFFAOYSA-N	-2	3	269.326	1.262	10	30		CDEEHL
C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H](C)C(=O)[O-]	ZINC000593271528	342782521	/nfs/dbraw/zinc/78/25/21/342782521.db2.gz	HSJJVYCPPVTWDP-RNFRBKRXSA-N	-2	3	288.350	1.007	10	30		CDEEHL
N#Cc1cc([O-])cc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575391728	364629460	/nfs/dbraw/zinc/62/94/60/364629460.db2.gz	MIIGUPUDDSOKHF-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
CCCCCCN([O-])C(=O)CNC(=O)c1ncccc1[O-]	ZINC001184305959	919012449	/nfs/dbraw/zinc/01/24/49/919012449.db2.gz	YFOYHVXCSSBXPC-UHFFFAOYSA-N	-2	3	295.339	1.315	10	30		CDEEHL
N#Cc1cccc(NC(=O)CCCCP(=O)([O-])[O-])c1	ZINC000584613138	346499520	/nfs/dbraw/zinc/49/95/20/346499520.db2.gz	FLCGGNUBNULUIT-UHFFFAOYSA-N	-2	3	282.236	1.845	10	30		CDEEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H](C)C(=O)[O-]	ZINC000230326837	267187521	/nfs/dbraw/zinc/18/75/21/267187521.db2.gz	ZFVQYTZNVZJLNH-BQBZGAKWSA-N	-2	3	288.350	1.007	10	30		CDEEHL
C[C@@H]1C(=NN=c2cc[n-]n2C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814907584	788314843	/nfs/dbraw/zinc/31/48/43/788314843.db2.gz	PQQMMZLYYGDWOO-NXEZZACHSA-N	-2	3	278.356	1.767	10	30		CDEEHL
C=CCC(F)(F)C(=O)[N-][C@H](CCC)c1nn[n-]n1	ZINC000294888778	199233165	/nfs/dbraw/zinc/23/31/65/199233165.db2.gz	IKRZIWKFPXJONZ-SSDOTTSWSA-N	-2	3	259.260	1.369	10	30		CDEEHL
O=C(/C=C/c1ccc(F)cc1)c1c([O-])[n-]c(=O)sc1=O	ZINC000020803230	171273093	/nfs/dbraw/zinc/27/30/93/171273093.db2.gz	JCENXQQOAOVFOD-ZZXKWVIFSA-N	-2	3	293.275	1.537	10	30		CDEEHL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1	ZINC000567218144	334693918	/nfs/dbraw/zinc/69/39/18/334693918.db2.gz	WLRMEYLUVIIJLG-QMMMGPOBSA-N	-2	3	275.351	1.446	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000161279855	539117418	/nfs/dbraw/zinc/11/74/18/539117418.db2.gz	ILABFQFPQWPNIP-JTQLQIEISA-N	-2	3	291.275	1.272	10	30		CDEEHL
CCC(C#N)=C([O-])N=c1[nH][n-]c(C)c1Br	ZINC000597732314	343619462	/nfs/dbraw/zinc/61/94/62/343619462.db2.gz	VOPWEEODLNIHIX-ZCFIWIBFSA-N	-2	3	271.118	1.391	10	30		CDEEHL
C=C(C)C[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-]	ZINC000630319415	368719224	/nfs/dbraw/zinc/71/92/24/368719224.db2.gz	AALVRPASHREXSG-NSHDSACASA-N	-2	3	263.293	1.850	10	30		CDEEHL
N#Cc1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1Cl	ZINC000037393386	173173814	/nfs/dbraw/zinc/17/38/14/173173814.db2.gz	MXHBZKYWISSPGJ-UHFFFAOYSA-N	-2	3	288.712	1.428	10	30		CDEEHL
O=C([O-])c1ccc(NN=Cc2ccc([O-])cn2)cc1	ZINC000755456710	576945763	/nfs/dbraw/zinc/94/57/63/576945763.db2.gz	WQOTYINOCZPCBE-UHFFFAOYSA-N	-2	3	257.249	1.931	10	30		CDEEHL
Cc1ncc(S(=O)(=O)[N-]c2cccc([O-])c2)cc1C#N	ZINC000313087573	149241815	/nfs/dbraw/zinc/24/18/15/149241815.db2.gz	MHLMFUBREQOQEF-UHFFFAOYSA-N	-2	3	289.316	1.768	10	30		CDEEHL
N#CC1(CS(=O)(=O)[N-]c2ccccc2C(=O)[O-])CC1	ZINC000274932802	263031718	/nfs/dbraw/zinc/03/17/18/263031718.db2.gz	PKIXIGWBSAIPSY-UHFFFAOYSA-N	-2	3	280.305	1.430	10	30		CDEEHL
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000863419619	835004007	/nfs/dbraw/zinc/00/40/07/835004007.db2.gz	DMGCQIPSODGLGG-QMMMGPOBSA-N	-2	3	293.728	1.462	10	30		CDEEHL
CC(C)S(=O)(=O)[N-]c1cc(Cl)ccc1/C(N)=N/[O-]	ZINC000086113004	179233893	/nfs/dbraw/zinc/23/38/93/179233893.db2.gz	RUMREGJCKWMSJP-UHFFFAOYSA-N	-2	3	291.760	1.585	10	30		CDEEHL
N#Cc1cc([O-])c(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275616	360113234	/nfs/dbraw/zinc/11/32/34/360113234.db2.gz	CZJLQZMGODLBKM-UHFFFAOYSA-N	-2	3	261.155	1.790	10	30		CDEEHL
O=[N+]([O-])c1cccc(C=NNc2n[n-]c(=S)[n-]2)c1	ZINC000006331617	170192332	/nfs/dbraw/zinc/19/23/32/170192332.db2.gz	YKDLDXYHPILPLN-BJMVGYQFSA-N	-2	3	264.270	1.821	10	30		CDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000161279988	539117416	/nfs/dbraw/zinc/11/74/16/539117416.db2.gz	ILABFQFPQWPNIP-SNVBAGLBSA-N	-2	3	291.275	1.272	10	30		CDEEHL
C=CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000837047968	705871762	/nfs/dbraw/zinc/87/17/62/705871762.db2.gz	OHPIOHAZRDHXBZ-GFCCVEGCSA-N	-2	3	290.319	1.231	10	30		CDEEHL
N#Cc1cccc(O[N-]C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1	ZINC001631983110	1166320716	/nfs/dbraw/zinc/32/07/16/1166320716.db2.gz	LISYUCFNADCYSC-UHFFFAOYSA-N	-2	3	296.286	1.655	10	30		CDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000161295486	539117393	/nfs/dbraw/zinc/11/73/93/539117393.db2.gz	LEJKSVHTBWGWCL-VIFPVBQESA-N	-2	3	291.275	1.272	10	30		CDEEHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2[O-])s1	ZINC000435441514	248169026	/nfs/dbraw/zinc/16/90/26/248169026.db2.gz	GIJXDITVMMMIKL-UHFFFAOYSA-N	-2	3	295.345	1.199	10	30		CDEEHL