smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1	ZINC000451086089	877343542	/nfs/dbraw/zinc/34/35/42/877343542.db2.gz	MAMKWHBMPQLHPA-UHFFFAOYSA-N	-2	3	388.445	3.543	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1	ZINC001186777482	914800259	/nfs/dbraw/zinc/80/02/59/914800259.db2.gz	QHKPWRDGQQSCMJ-UHFFFAOYSA-N	-2	3	392.742	3.617	20	30		GHEDHL
CC#CC[C@H](CC)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229446751	1033485770	/nfs/dbraw/zinc/48/57/70/1033485770.db2.gz	KVPYKSWKIZVJKZ-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(-c3nnn[n-]3)cc2Cl)c1[O-]	ZINC000823634192	607121876	/nfs/dbraw/zinc/12/18/76/607121876.db2.gz	CJRJPWHOLDDDOS-UHFFFAOYSA-N	-2	3	379.163	3.538	20	30		GHEDHL
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(-c3nn[n-]n3)cc2Cl)c1[O-]	ZINC000823634192	607121878	/nfs/dbraw/zinc/12/18/78/607121878.db2.gz	CJRJPWHOLDDDOS-UHFFFAOYSA-N	-2	3	379.163	3.538	20	30		GHEDHL
N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1	ZINC001194011359	871431726	/nfs/dbraw/zinc/43/17/26/871431726.db2.gz	YJHQUICLINPBDU-UHFFFAOYSA-N	-2	3	389.191	3.503	20	30		GHEDHL
CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C=CC(=O)[O-])o2)cc1	ZINC001595009233	982933055	/nfs/dbraw/zinc/93/30/55/982933055.db2.gz	GVORDSDGCUCBIN-WZMLOTFKSA-N	-2	3	380.400	3.852	20	30		GHEDHL
C=CC[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229789952	1033716335	/nfs/dbraw/zinc/71/63/35/1033716335.db2.gz	BOUXFEXCGKXUBP-LLVKDONJSA-N	-2	3	384.384	3.929	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1cccc(F)c1	ZINC001234128328	1039868638	/nfs/dbraw/zinc/86/86/38/1039868638.db2.gz	LLPMGAKPNRPFML-QGZVFWFLSA-N	-2	3	393.326	3.846	20	30		GHEDHL
Cc1csc(C(C#N)=C([O-])c2ccc3c(ccn3CCCNC(=O)[O-])c2)n1	ZINC000830654962	603674196	/nfs/dbraw/zinc/67/41/96/603674196.db2.gz	DJSMYMBEZBHNDA-HNNXBMFYSA-N	-2	3	382.445	3.554	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826400286	609272441	/nfs/dbraw/zinc/27/24/41/609272441.db2.gz	UXAVYILXTQGISP-DUXPYHPUSA-N	-2	3	379.178	3.914	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826400286	609272442	/nfs/dbraw/zinc/27/24/42/609272442.db2.gz	UXAVYILXTQGISP-DUXPYHPUSA-N	-2	3	379.178	3.914	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000745020764	869239378	/nfs/dbraw/zinc/23/93/78/869239378.db2.gz	OYBSCZUWACCHOJ-JMEBYUIHSA-N	-2	3	376.792	3.802	20	30		GHEDHL
COc1cccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1[O-]	ZINC001599642750	994382226	/nfs/dbraw/zinc/38/22/26/994382226.db2.gz	QDPMPBSCQLBXAH-UHFFFAOYSA-N	-2	3	387.391	3.751	20	30		GHEDHL
CC#C[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229795882	1033721386	/nfs/dbraw/zinc/72/13/86/1033721386.db2.gz	IHGMKSNHINYVIY-AWEZNQCLSA-N	-2	3	396.395	3.766	20	30		GHEDHL
CCC#C[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229794453	1033721972	/nfs/dbraw/zinc/72/19/72/1033721972.db2.gz	AAFBEFFQIXTCPD-GFCCVEGCSA-N	-2	3	396.395	3.766	20	30		GHEDHL
CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243512181	1036186987	/nfs/dbraw/zinc/18/69/87/1036186987.db2.gz	SFCNBNCPKGWMTN-ODCIPOBUSA-N	-2	3	377.347	3.518	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1F	ZINC001234753849	1040282822	/nfs/dbraw/zinc/28/28/22/1040282822.db2.gz	RXPDGCQZLGVOES-IBGZPJMESA-N	-2	3	393.326	3.846	20	30		GHEDHL
COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000730149317	860898845	/nfs/dbraw/zinc/89/88/45/860898845.db2.gz	GEGSFMBRCKNZQL-NSCUHMNNSA-N	-2	3	383.219	3.819	20	30		GHEDHL
C=C[C@@H](CCCCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001229786082	1033713593	/nfs/dbraw/zinc/71/35/93/1033713593.db2.gz	LNRMLKDRAGNXCS-ZDUSSCGKSA-N	-2	3	388.416	3.959	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1F	ZINC001234753850	1040282963	/nfs/dbraw/zinc/28/29/63/1040282963.db2.gz	RXPDGCQZLGVOES-LJQANCHMSA-N	-2	3	393.326	3.846	20	30		GHEDHL
CCCCCCCCCCCCS(=O)(=O)NCCCCP(=O)([O-])[O-]	ZINC001187724409	915479893	/nfs/dbraw/zinc/47/98/93/915479893.db2.gz	RMCPZWAKLKCLMC-UHFFFAOYSA-N	-2	3	385.507	3.785	20	30		GHEDHL
C#C[C@H]1CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1	ZINC001225627902	1031517504	/nfs/dbraw/zinc/51/75/04/1031517504.db2.gz	JVFGOCFMEAPBOL-SJCJKPOMSA-N	-2	3	378.380	3.758	20	30		GHEDHL
C=C[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229797001	1033722908	/nfs/dbraw/zinc/72/29/08/1033722908.db2.gz	PZOORPPAENVIML-CYBMUJFWSA-N	-2	3	384.384	3.929	20	30		GHEDHL
C[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125250	1039866695	/nfs/dbraw/zinc/86/66/95/1039866695.db2.gz	PVUGQQQFNBNWQV-NSHDSACASA-N	-2	3	384.460	3.711	20	30		GHEDHL
N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])on2)c1	ZINC000447561336	871865051	/nfs/dbraw/zinc/86/50/51/871865051.db2.gz	HRLJSMOOTLUVDQ-UHFFFAOYSA-N	-2	3	384.735	3.733	20	30		GHEDHL
N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000915190639	885986945	/nfs/dbraw/zinc/98/69/45/885986945.db2.gz	FUUPHWDZDLULKN-FQEVSTJZSA-N	-2	3	392.436	3.841	20	30		GHEDHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Br)ccc1[O-]	ZINC000740053898	600153821	/nfs/dbraw/zinc/15/38/21/600153821.db2.gz	HFRVRKMSOWSTRH-PPAWOMOGSA-N	-2	3	387.233	3.751	20	30		GHEDHL
O=C([O-])C(=O)/C(=C\c1cc([O-])ccc1Br)c1ccc2ccccc2n1	ZINC000255129362	838280874	/nfs/dbraw/zinc/28/08/74/838280874.db2.gz	UYSRTGSSFRCFSR-UVTDQMKNSA-N	-2	3	398.212	3.897	20	30		GHEDHL
N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000520617043	855811204	/nfs/dbraw/zinc/81/12/04/855811204.db2.gz	KOROYUSDILXYQT-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
CC(C)(C)c1ccc(Oc2ccc(C=Nn3c(=O)[n-][n-]c3=O)cc2[N+](=O)[O-])cc1	ZINC000814232920	892425687	/nfs/dbraw/zinc/42/56/87/892425687.db2.gz	RZYMUVMWRZYRFI-UHFFFAOYSA-N	-2	3	397.391	3.570	20	30		GHEDHL
N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1Cl	ZINC001188313861	915880989	/nfs/dbraw/zinc/88/09/89/915880989.db2.gz	BKPLAEJJIKCJSJ-UHFFFAOYSA-N	-2	3	389.191	3.503	20	30		GHEDHL
C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001588771029	984137379	/nfs/dbraw/zinc/13/73/79/984137379.db2.gz	MBUZZTKPTAEEGF-YGRLFVJLSA-N	-2	3	375.849	3.591	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1cccc(F)c1	ZINC001228121529	1032795394	/nfs/dbraw/zinc/79/53/94/1032795394.db2.gz	DIBGJCJVKKDHIT-HXUWFJFHSA-N	-2	3	379.343	3.817	20	30		GHEDHL
N#Cc1ccc(NC(=O)c2cc(=O)c3cccc([O-])c3[n-]2)c(OC(F)(F)F)c1	ZINC001152679777	1031321476	/nfs/dbraw/zinc/32/14/76/1031321476.db2.gz	OUHSTMUEVKUHMI-UHFFFAOYSA-N	-2	3	389.289	3.669	20	30		GHEDHL
C=CC[C@H](CCCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001229793743	1033721692	/nfs/dbraw/zinc/72/16/92/1033721692.db2.gz	XTDWEXLMKOEBHW-CYBMUJFWSA-N	-2	3	388.416	3.959	20	30		GHEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1	ZINC000538299389	879212742	/nfs/dbraw/zinc/21/27/42/879212742.db2.gz	VVBDLLGCQCTHOW-GFCCVEGCSA-N	-2	3	378.475	3.596	20	30		GHEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836044	885800743	/nfs/dbraw/zinc/80/07/43/885800743.db2.gz	OKLFQVCCBAQTPD-UHFFFAOYSA-N	-2	3	394.258	3.537	20	30		GHEDHL
N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000409869786	925082783	/nfs/dbraw/zinc/08/27/83/925082783.db2.gz	KLICDSMEBRWSSE-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
C=C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1	ZINC001229789137	1033715913	/nfs/dbraw/zinc/71/59/13/1033715913.db2.gz	DTPNGJWSBCHJPO-SFHVURJKSA-N	-2	3	394.379	3.752	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1cccc(F)c1	ZINC001234128326	1039869342	/nfs/dbraw/zinc/86/93/42/1039869342.db2.gz	LLPMGAKPNRPFML-KRWDZBQOSA-N	-2	3	393.326	3.846	20	30		GHEDHL
N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1csc(CNC(=O)[O-])n1	ZINC000740311725	602699780	/nfs/dbraw/zinc/69/97/80/602699780.db2.gz	UIKLQHVFESTIRZ-UHFFFAOYSA-N	-2	3	384.442	3.763	20	30		GHEDHL
O=C(c1nn(-c2ccccc2F)cc1[O-])N([O-])Cc1cccc2ccccc21	ZINC001184340479	913159044	/nfs/dbraw/zinc/15/90/44/913159044.db2.gz	NKFHJRVMLLKKBD-UHFFFAOYSA-N	-2	3	377.375	3.902	20	30		GHEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001599941781	985464006	/nfs/dbraw/zinc/46/40/06/985464006.db2.gz	UDCVYBKEAQKYAU-IBGZPJMESA-N	-2	3	394.427	3.527	20	30		GHEDHL
C=CC[C@@H]1[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C	ZINC001228973469	1033211439	/nfs/dbraw/zinc/21/14/39/1033211439.db2.gz	IPDFYAKDLFWYQX-UKRRQHHQSA-N	-2	3	394.424	3.729	20	30		GHEDHL
N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1c([O-])cc2ccccc2c1[O-]	ZINC001154023443	1031880158	/nfs/dbraw/zinc/88/01/58/1031880158.db2.gz	VOHYIODPQZICGG-UHFFFAOYSA-N	-2	3	382.379	3.832	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC001260269910	1045435134	/nfs/dbraw/zinc/43/51/34/1045435134.db2.gz	BZHYAGHYFRSSJL-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588771517	984140374	/nfs/dbraw/zinc/14/03/74/984140374.db2.gz	WYBRDWGVZFHMQD-GXFFZTMASA-N	-2	3	375.849	3.591	20	30		GHEDHL
C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227596193	1032478938	/nfs/dbraw/zinc/47/89/38/1032478938.db2.gz	INJOUNNJYZGWAD-SECBINFHSA-N	-2	3	391.225	3.526	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1F	ZINC001234127295	1039869883	/nfs/dbraw/zinc/86/98/83/1039869883.db2.gz	FIHGFSNRWKNQLC-QGZVFWFLSA-N	-2	3	393.326	3.846	20	30		GHEDHL
N#CCc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccc1F	ZINC001260878804	1045735486	/nfs/dbraw/zinc/73/54/86/1045735486.db2.gz	WULNZDORQXMOIG-UHFFFAOYSA-N	-2	3	375.208	3.705	20	30		GHEDHL
C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC001444102407	1059264755	/nfs/dbraw/zinc/26/47/55/1059264755.db2.gz	QVKMOPLGHBBYNM-GFCCVEGCSA-N	-2	3	394.880	3.541	20	30		GHEDHL
CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000920383221	882076594	/nfs/dbraw/zinc/07/65/94/882076594.db2.gz	HLSJTLMXWAFLKD-UHFFFAOYSA-N	-2	3	387.288	3.933	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1cccc(F)c1	ZINC001228121528	1032796401	/nfs/dbraw/zinc/79/64/01/1032796401.db2.gz	DIBGJCJVKKDHIT-FQEVSTJZSA-N	-2	3	379.343	3.817	20	30		GHEDHL
C=C(C)C(=O)OC[C@@H](C)Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O	ZINC001229771589	1033702553	/nfs/dbraw/zinc/70/25/53/1033702553.db2.gz	KJJYBSRTBFXZBN-CYBMUJFWSA-N	-2	3	396.395	3.758	20	30		GHEDHL
CC(C)(C)c1[n-]n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c(=O)c1CCC#N	ZINC000583014560	848875430	/nfs/dbraw/zinc/87/54/30/848875430.db2.gz	MIBDEWQNSZHLAQ-UHFFFAOYSA-N	-2	3	377.448	3.553	20	30		GHEDHL
CCOc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000916157954	888775470	/nfs/dbraw/zinc/77/54/70/888775470.db2.gz	ZALSQSILXCDUPP-SREVYHEPSA-N	-2	3	376.792	3.804	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2)o1	ZINC000826402146	899783670	/nfs/dbraw/zinc/78/36/70/899783670.db2.gz	NTWRNDNYBLAJGJ-KTKRTIGZSA-N	-2	3	386.367	3.721	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2)o1	ZINC000826402146	899783676	/nfs/dbraw/zinc/78/36/76/899783676.db2.gz	NTWRNDNYBLAJGJ-KTKRTIGZSA-N	-2	3	386.367	3.721	20	30		GHEDHL
C[C@@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749807	1040277436	/nfs/dbraw/zinc/27/74/36/1040277436.db2.gz	DGSFAMGFWPQMIF-NSHDSACASA-N	-2	3	384.460	3.711	20	30		GHEDHL
CCCCCCN([O-])C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC001458010708	1063506325	/nfs/dbraw/zinc/50/63/25/1063506325.db2.gz	JXDCWRCJWHWGED-UHFFFAOYSA-N	-2	3	382.804	3.551	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC001188741867	916171519	/nfs/dbraw/zinc/17/15/19/916171519.db2.gz	FFEGOVLLYODHCJ-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001588771026	984137480	/nfs/dbraw/zinc/13/74/80/984137480.db2.gz	MBUZZTKPTAEEGF-HZMBPMFUSA-N	-2	3	375.849	3.591	20	30		GHEDHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H](C)[C@H](C)S)cc1	ZINC001229672390	1033632081	/nfs/dbraw/zinc/63/20/81/1033632081.db2.gz	SQRBDIDSWHNTED-MNOVXSKESA-N	-2	3	388.441	3.965	20	30		GHEDHL
O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N([O-])Cc1ccc(F)cc1	ZINC001161842998	1035313754	/nfs/dbraw/zinc/31/37/54/1035313754.db2.gz	WOZGLEXEMWYQOK-UHFFFAOYSA-N	-2	3	395.312	3.767	20	30		GHEDHL
C#C[C@H](CC(C)C)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234739170	1040266377	/nfs/dbraw/zinc/26/63/77/1040266377.db2.gz	DSPQWTLRVUFZKM-CQSZACIVSA-N	-2	3	396.395	3.709	20	30		GHEDHL
CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)c3ccc([O-])cc3)c2c1C	ZINC001195773418	872633247	/nfs/dbraw/zinc/63/32/47/872633247.db2.gz	XZIFLNJUTXXVGY-UHFFFAOYSA-N	-2	3	387.486	3.854	20	30		GHEDHL
N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(Cl)c1	ZINC000767733890	872808667	/nfs/dbraw/zinc/80/86/67/872808667.db2.gz	HEPROBRJQMEYRX-UHFFFAOYSA-N	-2	3	389.191	3.503	20	30		GHEDHL
COc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1OCCC(=O)[O-]	ZINC000763373972	889012881	/nfs/dbraw/zinc/01/28/81/889012881.db2.gz	ODPNYXNJQKYULW-GJSJWPQCSA-N	-2	3	386.375	3.777	20	30		GHEDHL
C#C[C@@H](CC(C)C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227462496	1032430172	/nfs/dbraw/zinc/43/01/72/1032430172.db2.gz	LZNMERFAIYUEMC-AWEZNQCLSA-N	-2	3	396.395	3.709	20	30		GHEDHL
C#C[C@@H]1CCC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1	ZINC001225627903	1031518121	/nfs/dbraw/zinc/51/81/21/1031518121.db2.gz	JVFGOCFMEAPBOL-SJKOYZFVSA-N	-2	3	378.380	3.758	20	30		GHEDHL
C#C[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c4c(c3c(=O)c12)CCC(C)(C)O4	ZINC001234799877	1040330366	/nfs/dbraw/zinc/33/03/66/1040330366.db2.gz	WAQHYFDVOFHAMR-LLVKDONJSA-N	-2	3	380.396	3.862	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl	ZINC001260322731	1045460548	/nfs/dbraw/zinc/46/05/48/1045460548.db2.gz	XAQNGWUBCYFHGS-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
Cc1csc(C(C#N)=C([O-])c2ccc3c(ccn3CCCNC(=O)[O-])c2)n1	ZINC000830654963	603674234	/nfs/dbraw/zinc/67/42/34/603674234.db2.gz	DJSMYMBEZBHNDA-OAHLLOKOSA-N	-2	3	382.445	3.554	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2)o1	ZINC000826402147	899783883	/nfs/dbraw/zinc/78/38/83/899783883.db2.gz	NTWRNDNYBLAJGJ-MDZDMXLPSA-N	-2	3	386.367	3.721	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2)o1	ZINC000826402147	899783891	/nfs/dbraw/zinc/78/38/91/899783891.db2.gz	NTWRNDNYBLAJGJ-MDZDMXLPSA-N	-2	3	386.367	3.721	20	30		GHEDHL
CCOc1cc(C(=O)N([O-])Cc2cccc3ccccc32)ccc1OCC(=O)[O-]	ZINC001596994634	986292830	/nfs/dbraw/zinc/29/28/30/986292830.db2.gz	WXPFPMIGZORTKS-UHFFFAOYSA-N	-2	3	395.411	3.734	20	30		GHEDHL
C#C[C@H](CCCC)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227648732	1032502150	/nfs/dbraw/zinc/50/21/50/1032502150.db2.gz	AFERVEVKDDKQCD-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC001229669277	1033630423	/nfs/dbraw/zinc/63/04/23/1033630423.db2.gz	OVAZJMIYASVCOS-MLGOLLRUSA-N	-2	3	393.395	3.951	20	30		GHEDHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CC(C#N)C2)cc1	ZINC001229672380	1033632396	/nfs/dbraw/zinc/63/23/96/1033632396.db2.gz	SHWQSKGFEDRYOY-UHFFFAOYSA-N	-2	3	379.368	3.561	20	30		GHEDHL
CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc([O-])c(C#N)c2)cc1	ZINC001242564442	1035924539	/nfs/dbraw/zinc/92/45/39/1035924539.db2.gz	ZZBMMSIPKXTRMQ-UHFFFAOYSA-N	-2	3	395.440	3.525	20	30		GHEDHL
N#C[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1cccc(F)c1	ZINC001234751272	1040279945	/nfs/dbraw/zinc/27/99/45/1040279945.db2.gz	WLDAAWPEJYWFCJ-QGZVFWFLSA-N	-2	3	393.326	3.846	20	30		GHEDHL
N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])ccc1F	ZINC001259417266	1045136313	/nfs/dbraw/zinc/13/63/13/1045136313.db2.gz	NMBOBAWLZFZQDD-UHFFFAOYSA-N	-2	3	376.356	3.806	20	30		GHEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)c1	ZINC000539399562	871901538	/nfs/dbraw/zinc/90/15/38/871901538.db2.gz	VKDSOHMNOIIDHC-UHFFFAOYSA-N	-2	3	396.424	3.866	20	30		GHEDHL
CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCCCCP(=O)([O-])[O-])c1	ZINC001197366588	873775169	/nfs/dbraw/zinc/77/51/69/873775169.db2.gz	YWHLMOVMWFRQNR-UHFFFAOYSA-N	-3	3	399.424	3.623	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc(Br)c1[O-]	ZINC000915990053	888610798	/nfs/dbraw/zinc/61/07/98/888610798.db2.gz	IKEMQANMAJYCQK-DAXSKMNVSA-N	-2	3	391.217	3.687	20	30		GHEDHL
COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1OCCC(=O)[O-]	ZINC000763373973	889012323	/nfs/dbraw/zinc/01/23/23/889012323.db2.gz	ODPNYXNJQKYULW-KWJWQAOWSA-N	-2	3	386.375	3.777	20	30		GHEDHL
O=C([O-])c1cccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1	ZINC000814829621	893211743	/nfs/dbraw/zinc/21/17/43/893211743.db2.gz	CGDVZRKZPMPDSE-UHFFFAOYSA-N	-2	3	395.440	3.632	20	30		GHEDHL
Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C#N)c3ccccc3)c1C2=O	ZINC001227994289	1032730444	/nfs/dbraw/zinc/73/04/44/1032730444.db2.gz	MDPRAMWXVWTSMR-IBGZPJMESA-N	-2	3	385.375	3.825	20	30		GHEDHL
C=CC[C@H](C=C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229447380	1033485116	/nfs/dbraw/zinc/48/51/16/1033485116.db2.gz	QFKLUJUIPBGXJX-ZDUSSCGKSA-N	-2	3	382.368	3.792	20	30		GHEDHL
C#CC[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229794608	1033721511	/nfs/dbraw/zinc/72/15/11/1033721511.db2.gz	CDXDATLGBDRRNO-CQSZACIVSA-N	-2	3	396.395	3.766	20	30		GHEDHL
C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234752878	1040282543	/nfs/dbraw/zinc/28/25/43/1040282543.db2.gz	JZZMGFBLMVXIGH-LLVKDONJSA-N	-2	3	384.460	3.711	20	30		GHEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(F)(F)F)c(Cl)c1	ZINC001259112688	1044967047	/nfs/dbraw/zinc/96/70/47/1044967047.db2.gz	DEHYEMYNTRGLAE-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c(Br)c1[O-]	ZINC000760997794	857078755	/nfs/dbraw/zinc/07/87/55/857078755.db2.gz	UJFNSFCXLOBBQJ-UHFFFAOYSA-N	-2	3	399.628	3.961	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000745020765	869239677	/nfs/dbraw/zinc/23/96/77/869239677.db2.gz	OYBSCZUWACCHOJ-ZADCQDASSA-N	-2	3	376.792	3.802	20	30		GHEDHL
CCc1oc(C)c(Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1[O-]	ZINC001227704024	1032523711	/nfs/dbraw/zinc/52/37/11/1032523711.db2.gz	YRRSBTBXCQSDST-QGZVFWFLSA-N	-2	3	397.383	3.828	20	30		GHEDHL
CCC1=C(Oc2cc(-c3cc(=O)c4ccc([O-])cc4o3)ccc2[O-])C(=O)[C@H](C)O1	ZINC001234498775	1040080846	/nfs/dbraw/zinc/08/08/46/1040080846.db2.gz	ZECIEVUNYRMANH-NSHDSACASA-N	-2	3	394.379	3.859	20	30		GHEDHL
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc([O-])cc3C#N)s2)cs1	ZINC001259983354	1045341274	/nfs/dbraw/zinc/34/12/74/1045341274.db2.gz	HKSAHPGAMAXEMO-UHFFFAOYSA-N	-2	3	377.472	3.558	20	30		GHEDHL
COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)[nH]c(C(=O)[O-])c3C)n2)cc1	ZINC000832124592	604881331	/nfs/dbraw/zinc/88/13/31/604881331.db2.gz	VVYCNGGHYPJEMC-CQSZACIVSA-N	-2	3	395.440	3.952	20	30		GHEDHL
CCc1oc(C)c(Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1[O-]	ZINC001227704018	1032523783	/nfs/dbraw/zinc/52/37/83/1032523783.db2.gz	YRRSBTBXCQSDST-KRWDZBQOSA-N	-2	3	397.383	3.828	20	30		GHEDHL
C#C[C@@H](Oc1c(-c2ccc(OC)cc2)oc2cc([O-])cc([O-])c2c1=O)C(C)C	ZINC001229672137	1033631954	/nfs/dbraw/zinc/63/19/54/1033631954.db2.gz	POTJWLKDSINRNR-QGZVFWFLSA-N	-2	3	380.396	3.916	20	30		GHEDHL
Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001187579311	915374074	/nfs/dbraw/zinc/37/40/74/915374074.db2.gz	SRWPVDKSOGDWBD-UHFFFAOYSA-N	-2	3	385.228	3.673	20	30		GHEDHL
CC#CC[C@H](CC)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227648785	1032501952	/nfs/dbraw/zinc/50/19/52/1032501952.db2.gz	AZABONWKYHKRRV-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234752880	1040282038	/nfs/dbraw/zinc/28/20/38/1040282038.db2.gz	JZZMGFBLMVXIGH-NSHDSACASA-N	-2	3	384.460	3.711	20	30		GHEDHL
C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC001444102411	1059265633	/nfs/dbraw/zinc/26/56/33/1059265633.db2.gz	QVKMOPLGHBBYNM-LBPRGKRZSA-N	-2	3	394.880	3.541	20	30		GHEDHL
CCOc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(Br)c1[O-]	ZINC000071813689	868857468	/nfs/dbraw/zinc/85/74/68/868857468.db2.gz	WGEVRQJNUULMNV-CHHVJCJISA-N	-2	3	377.190	3.875	20	30		GHEDHL
CC#CC[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227463017	1032430000	/nfs/dbraw/zinc/43/00/00/1032430000.db2.gz	ROFMADFBMIKYOL-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205068973	1033234050	/nfs/dbraw/zinc/23/40/50/1033234050.db2.gz	IUUYQMDCDRVCAR-ODCIPOBUSA-N	-2	3	377.347	3.518	20	30		GHEDHL
N#C[C@@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1F	ZINC001234750769	1040276310	/nfs/dbraw/zinc/27/63/10/1040276310.db2.gz	OMKMZDMCPXVJQL-QGZVFWFLSA-N	-2	3	393.326	3.846	20	30		GHEDHL
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([O-])CCCCc2ccccc2)n1	ZINC001306896181	1048949728	/nfs/dbraw/zinc/94/97/28/1048949728.db2.gz	NDNWNAUAUKLSRU-UHFFFAOYSA-N	-2	3	383.423	3.880	20	30		GHEDHL
N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)c1	ZINC000609428756	599974149	/nfs/dbraw/zinc/97/41/49/599974149.db2.gz	HKZYIHHHNCGZEE-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc(Br)c1[O-]	ZINC000831975267	604627055	/nfs/dbraw/zinc/62/70/55/604627055.db2.gz	DGAABOKXJMFYBQ-UQCOIBPSSA-N	-2	3	377.190	3.758	20	30		GHEDHL
C=CCc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc(OC)c1O	ZINC000833379867	604633982	/nfs/dbraw/zinc/63/39/82/604633982.db2.gz	OMJKAVCBZPILRK-UHFFFAOYSA-N	-2	3	391.851	3.575	20	30		GHEDHL
Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)ccc1[O-]	ZINC000742434439	867305903	/nfs/dbraw/zinc/30/59/03/867305903.db2.gz	ITQRKIITVXHYQB-GORDUTHDSA-N	-2	3	391.217	3.823	20	30		GHEDHL
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c(F)c1	ZINC001196090910	872874231	/nfs/dbraw/zinc/87/42/31/872874231.db2.gz	VJODIPUQTBDMQX-UHFFFAOYSA-N	-2	3	396.399	3.863	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000806559061	884813166	/nfs/dbraw/zinc/81/31/66/884813166.db2.gz	SYECJYCYDMBVLQ-WAYWQWQTSA-N	-2	3	377.190	3.758	20	30		GHEDHL
C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001588771028	984137293	/nfs/dbraw/zinc/13/72/93/984137293.db2.gz	MBUZZTKPTAEEGF-QMTHXVAHSA-N	-2	3	375.849	3.591	20	30		GHEDHL
CC#CC[C@H](CC)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234738298	1040265538	/nfs/dbraw/zinc/26/55/38/1040265538.db2.gz	AHBIJJRCJLKWJT-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
N#C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1F	ZINC001234750768	1040277635	/nfs/dbraw/zinc/27/76/35/1040277635.db2.gz	OMKMZDMCPXVJQL-KRWDZBQOSA-N	-2	3	393.326	3.846	20	30		GHEDHL
N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1C(F)(F)F	ZINC000799924232	933171003	/nfs/dbraw/zinc/17/10/03/933171003.db2.gz	APTVHJFTKCKGPK-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
COc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)c(Br)c1[O-]	ZINC001599543588	997885201	/nfs/dbraw/zinc/88/52/01/997885201.db2.gz	JWHUGMQDLRNUMR-UHFFFAOYSA-N	-2	3	399.628	3.961	20	30		GHEDHL
N#Cc1cnc(NC(=O)c2c([O-])cc3ccccc3c2[O-])c(Br)c1	ZINC001154022853	1031880839	/nfs/dbraw/zinc/88/08/39/1031880839.db2.gz	GVWTUILYDLOFIL-UHFFFAOYSA-N	-2	3	384.189	3.532	20	30		GHEDHL
O=C(c1nn(-c2cccc(F)c2)cc1[O-])N([O-])Cc1cccc2ccccc21	ZINC001306899799	1048951355	/nfs/dbraw/zinc/95/13/55/1048951355.db2.gz	BYJMJUQXLQOFFP-UHFFFAOYSA-N	-2	3	377.375	3.902	20	30		GHEDHL
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)c([O-])cc2Cl)o1	ZINC000824280632	607964787	/nfs/dbraw/zinc/96/47/87/607964787.db2.gz	RGHHTVRMQOFRCK-UHFFFAOYSA-N	-2	3	396.238	3.512	20	30		GHEDHL
C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC001192451560	870415459	/nfs/dbraw/zinc/41/54/59/870415459.db2.gz	APMCAMICJZWZJZ-UHFFFAOYSA-N	-2	3	378.208	3.667	20	30		GHEDHL
Cc1ccc(C(C)C)c(Oc2ccc(C=Nn3c(=O)[n-][n-]c3=O)cc2[N+](=O)[O-])c1	ZINC000814231697	892424239	/nfs/dbraw/zinc/42/42/39/892424239.db2.gz	LRUJSPYVJQTUBA-UHFFFAOYSA-N	-2	3	397.391	3.704	20	30		GHEDHL
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(C(=O)[O-])nn2-c2ccccc2)s1	ZINC001590515671	990128870	/nfs/dbraw/zinc/12/88/70/990128870.db2.gz	ZLXYJTVKGPUSRA-CYBMUJFWSA-N	-2	3	394.456	3.815	20	30		GHEDHL
Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(OC3CCC(C#N)CC3)c1C2=O	ZINC001227994233	1032729195	/nfs/dbraw/zinc/72/91/95/1032729195.db2.gz	KDIAXWQQSBJWFG-UHFFFAOYSA-N	-2	3	377.396	3.643	20	30		GHEDHL
N#Cc1ccc(F)c(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1	ZINC001215471041	1029227175	/nfs/dbraw/zinc/22/71/75/1029227175.db2.gz	NASNPXSPGGXOHO-UHFFFAOYSA-N	-2	3	376.141	3.588	20	30		GHEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000737948601	600494505	/nfs/dbraw/zinc/49/45/05/600494505.db2.gz	JPUKVRJSTWBGBS-RPJLVFAOSA-N	-2	3	378.222	3.798	20	30		GHEDHL
C=CC[C@@H](C=C)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227650947	1032503049	/nfs/dbraw/zinc/50/30/49/1032503049.db2.gz	RDNICOPSCJRGJY-CYBMUJFWSA-N	-2	3	382.368	3.792	20	30		GHEDHL
N#C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1ccccc1	ZINC001234751185	1040279143	/nfs/dbraw/zinc/27/91/43/1040279143.db2.gz	SNROFIUXNQBFOR-KRWDZBQOSA-N	-2	3	375.336	3.707	20	30		GHEDHL
O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N([O-])Cc1cc(Cl)cc(Cl)c1	ZINC001306892114	1048947883	/nfs/dbraw/zinc/94/78/83/1048947883.db2.gz	AAHOWNPJOPVZBW-UHFFFAOYSA-N	-2	3	396.255	3.963	20	30		GHEDHL
CC(=NNc1ccc(C(=O)[O-])cn1)c1cc(Br)cc(Cl)c1[O-]	ZINC000763368923	604668441	/nfs/dbraw/zinc/66/84/41/604668441.db2.gz	QJGJPBDPEUOXFA-UHFFFAOYSA-N	-2	3	384.617	3.737	20	30		GHEDHL
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3cc(Cl)sc3[n-]2)n1	ZINC000811393941	889533294	/nfs/dbraw/zinc/53/32/94/889533294.db2.gz	UOTSZCPMAKFJBD-VIFPVBQESA-N	-2	3	379.850	3.681	20	30		GHEDHL
C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227596194	1032478982	/nfs/dbraw/zinc/47/89/82/1032478982.db2.gz	INJOUNNJYZGWAD-VIFPVBQESA-N	-2	3	391.225	3.526	20	30		GHEDHL
Cc1c2c(c(C)c(S(=O)(=O)[N-]c3ccc([O-])cc3C#N)c1C)CC(C)(C)O2	ZINC001260246700	1045426913	/nfs/dbraw/zinc/42/69/13/1045426913.db2.gz	IHXKCSUEBCRNLC-UHFFFAOYSA-N	-2	3	386.473	3.703	20	30		GHEDHL
N#Cc1c2ccccc2sc1[N-]C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152697479	1031331164	/nfs/dbraw/zinc/33/11/64/1031331164.db2.gz	IOZPLUIETLBVFE-UHFFFAOYSA-N	-2	3	386.410	3.556	20	30		GHEDHL
CCc1oc(C)c([O-])c1Oc1cc(C=C2Oc3cc(O)ccc3C2=O)ccc1[O-]	ZINC001229208564	1033343438	/nfs/dbraw/zinc/34/34/38/1033343438.db2.gz	OYMXDMUGPGFGFE-FBRGWYAUSA-N	-2	3	394.379	3.702	20	30		GHEDHL
C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234125248	1039867554	/nfs/dbraw/zinc/86/75/54/1039867554.db2.gz	PVUGQQQFNBNWQV-LLVKDONJSA-N	-2	3	384.460	3.711	20	30		GHEDHL
CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239337346	1042809508	/nfs/dbraw/zinc/80/95/08/1042809508.db2.gz	RLCGHFXMBTVWIM-ODCIPOBUSA-N	-2	3	377.347	3.518	20	30		GHEDHL
Cc1oc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C(=O)[O-]	ZINC000738969047	600006134	/nfs/dbraw/zinc/00/61/34/600006134.db2.gz	GVDQMENBKAKZNJ-UHFFFAOYSA-N	-2	3	399.428	3.533	20	30		GHEDHL
COc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1OCCC(=O)[O-]	ZINC000763373977	889014124	/nfs/dbraw/zinc/01/41/24/889014124.db2.gz	ODPNYXNJQKYULW-VSXLWIIGSA-N	-2	3	386.375	3.777	20	30		GHEDHL
[O-]c1c(F)cc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1F	ZINC000749859859	927317160	/nfs/dbraw/zinc/31/71/60/927317160.db2.gz	RPDJFEFQTYTUGL-UHFFFAOYSA-N	-2	3	378.429	3.725	20	30		GHEDHL
CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C=CC(=O)[O-])o2)cc1	ZINC001595009227	982933080	/nfs/dbraw/zinc/93/30/80/982933080.db2.gz	GVORDSDGCUCBIN-ACCNSPFPSA-N	-2	3	380.400	3.852	20	30		GHEDHL
CC#CC[C@@H](CC)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234738303	1040266140	/nfs/dbraw/zinc/26/61/40/1040266140.db2.gz	AHBIJJRCJLKWJT-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000737948604	600494283	/nfs/dbraw/zinc/49/42/83/600494283.db2.gz	JPUKVRJSTWBGBS-SMLKNPDNSA-N	-2	3	378.222	3.798	20	30		GHEDHL
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)c([O-])cc2Cl)o1	ZINC000824142880	607964927	/nfs/dbraw/zinc/96/49/27/607964927.db2.gz	ZCTYHEDKPBLQPV-UHFFFAOYSA-N	-2	3	396.238	3.611	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000730149316	860898293	/nfs/dbraw/zinc/89/82/93/860898293.db2.gz	GEGSFMBRCKNZQL-IHWYPQMZSA-N	-2	3	383.219	3.819	20	30		GHEDHL
C=CCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1	ZINC000541078149	872867039	/nfs/dbraw/zinc/86/70/39/872867039.db2.gz	IVUMCLMHSBFALW-UHFFFAOYSA-N	-2	3	389.473	3.605	20	30		GHEDHL
Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3cc(Cl)sc3[n-]2)n1	ZINC000811393940	889532571	/nfs/dbraw/zinc/53/25/71/889532571.db2.gz	UOTSZCPMAKFJBD-SECBINFHSA-N	-2	3	379.850	3.681	20	30		GHEDHL
C=CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1	ZINC001588767169	984128960	/nfs/dbraw/zinc/12/89/60/984128960.db2.gz	NALUZFQRQYGBCO-UHFFFAOYSA-N	-2	3	375.849	3.592	20	30		GHEDHL
C#C[C@@H](CCCC)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227648730	1032501790	/nfs/dbraw/zinc/50/17/90/1032501790.db2.gz	AFERVEVKDDKQCD-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(Br)cc1[O-]	ZINC000756901031	1023853293	/nfs/dbraw/zinc/85/32/93/1023853293.db2.gz	GHNLBFLUXPBFDG-UHFFFAOYSA-N	-2	3	379.210	3.698	20	30		GHEDHL
CC#C[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229795884	1033722039	/nfs/dbraw/zinc/72/20/39/1033722039.db2.gz	IHGMKSNHINYVIY-CQSZACIVSA-N	-2	3	396.395	3.766	20	30		GHEDHL
COc1c([O-])ccc2c1oc1cc([O-])cc(OC3CCC(C#N)CC3)c1c2=O	ZINC001234747500	1040272076	/nfs/dbraw/zinc/27/20/76/1040272076.db2.gz	BJHQIGUEXGVNRQ-UHFFFAOYSA-N	-2	3	381.384	3.827	20	30		GHEDHL
O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1	ZINC000739573556	600473207	/nfs/dbraw/zinc/47/32/07/600473207.db2.gz	HZFMUZILRXNZGK-QGZVFWFLSA-N	-2	3	386.835	3.876	20	30		GHEDHL
N#CC(=C([O-])c1ccc(F)c(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1	ZINC000740303389	603170875	/nfs/dbraw/zinc/17/08/75/603170875.db2.gz	IZDJVWBYIJADSQ-LBPRGKRZSA-N	-2	3	382.376	3.924	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)cc2)o1	ZINC000822922598	606304805	/nfs/dbraw/zinc/30/48/05/606304805.db2.gz	HYTPAOFSNXMIGU-WAYWQWQTSA-N	-2	3	392.396	3.783	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)cc2)o1	ZINC000822922598	606304806	/nfs/dbraw/zinc/30/48/06/606304806.db2.gz	HYTPAOFSNXMIGU-WAYWQWQTSA-N	-2	3	392.396	3.783	20	30		GHEDHL
C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588771518	984140397	/nfs/dbraw/zinc/14/03/97/984140397.db2.gz	WYBRDWGVZFHMQD-MFKMUULPSA-N	-2	3	375.849	3.591	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1	ZINC001234125677	1039869006	/nfs/dbraw/zinc/86/90/06/1039869006.db2.gz	WJFGGZJEAMTBDZ-KRWDZBQOSA-N	-2	3	375.336	3.707	20	30		GHEDHL
C#C[C@H](CCCC)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234738326	1040266552	/nfs/dbraw/zinc/26/65/52/1040266552.db2.gz	ANHXAIMLFDTTRG-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1C(F)(F)F	ZINC000808113540	886024300	/nfs/dbraw/zinc/02/43/00/886024300.db2.gz	CMKAJNRDKWMZLW-UHFFFAOYSA-N	-2	3	394.733	3.876	20	30		GHEDHL
C#C[C@@H](CCCC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227462258	1032430130	/nfs/dbraw/zinc/43/01/30/1032430130.db2.gz	IYUBLXQYCMSQHG-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
CCc1oc(C)c([O-])c1Oc1cc(C=C2Oc3cc(O)ccc3C2=O)ccc1[O-]	ZINC001229208561	1033343754	/nfs/dbraw/zinc/34/37/54/1033343754.db2.gz	OYMXDMUGPGFGFE-CZPFXKHOSA-N	-2	3	394.379	3.702	20	30		GHEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)c1	ZINC000775673463	872708392	/nfs/dbraw/zinc/70/83/92/872708392.db2.gz	VIYHYWCFZWCQCD-LJQANCHMSA-N	-2	3	394.452	3.857	20	30		GHEDHL
CCC#C[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229794465	1033721785	/nfs/dbraw/zinc/72/17/85/1033721785.db2.gz	AAFBEFFQIXTCPD-LBPRGKRZSA-N	-2	3	396.395	3.766	20	30		GHEDHL
C[C@H](CC(C)(C)S)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234128816	1039870262	/nfs/dbraw/zinc/87/02/62/1039870262.db2.gz	NYWGMTVUOGRJEG-SECBINFHSA-N	-2	3	376.430	3.929	20	30		GHEDHL
C#C[C@@H](CCCC)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234738323	1040264815	/nfs/dbraw/zinc/26/48/15/1040264815.db2.gz	ANHXAIMLFDTTRG-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)cc2)o1	ZINC000822922597	606304659	/nfs/dbraw/zinc/30/46/59/606304659.db2.gz	HYTPAOFSNXMIGU-AATRIKPKSA-N	-2	3	392.396	3.783	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)cc2)o1	ZINC000822922597	606304661	/nfs/dbraw/zinc/30/46/61/606304661.db2.gz	HYTPAOFSNXMIGU-AATRIKPKSA-N	-2	3	392.396	3.783	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826400287	609272406	/nfs/dbraw/zinc/27/24/06/609272406.db2.gz	UXAVYILXTQGISP-RQOWECAXSA-N	-2	3	379.178	3.914	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826400287	609272407	/nfs/dbraw/zinc/27/24/07/609272407.db2.gz	UXAVYILXTQGISP-RQOWECAXSA-N	-2	3	379.178	3.914	20	30		GHEDHL
C#C[C@H](CCCC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227462260	1032430106	/nfs/dbraw/zinc/43/01/06/1032430106.db2.gz	IYUBLXQYCMSQHG-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C[C@H](CC(C)(C)S)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749830	1040277773	/nfs/dbraw/zinc/27/77/73/1040277773.db2.gz	DZTUMJNWUWKOMO-SECBINFHSA-N	-2	3	376.430	3.929	20	30		GHEDHL
COc1cc([O-])cc2oc3cc([O-])c(OC4CCC(C#N)CC4)cc3c(=O)c12	ZINC001234800523	1040332262	/nfs/dbraw/zinc/33/22/62/1040332262.db2.gz	IQYOQCBLPXYEGM-UHFFFAOYSA-N	-2	3	381.384	3.827	20	30		GHEDHL
C#C[C@H]1CCC[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1	ZINC001225627904	1031518227	/nfs/dbraw/zinc/51/82/27/1031518227.db2.gz	JVFGOCFMEAPBOL-YVEFUNNKSA-N	-2	3	378.380	3.758	20	30		GHEDHL
C#C[C@@H](CC(C)C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229445338	1033485203	/nfs/dbraw/zinc/48/52/03/1033485203.db2.gz	CYWMNIGXQCTSMX-AWEZNQCLSA-N	-2	3	396.395	3.709	20	30		GHEDHL
C[C@@H](C#N)CSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nnn[n-]1	ZINC000735504846	598492970	/nfs/dbraw/zinc/49/29/70/598492970.db2.gz	OIRRQZMXWDMMOC-LBPRGKRZSA-N	-2	3	395.517	3.927	20	30		GHEDHL
C[C@@H](C#N)CSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nn[n-]n1	ZINC000735504846	598492971	/nfs/dbraw/zinc/49/29/71/598492971.db2.gz	OIRRQZMXWDMMOC-LBPRGKRZSA-N	-2	3	395.517	3.927	20	30		GHEDHL
COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(Br)c1[O-]	ZINC000915990054	888610642	/nfs/dbraw/zinc/61/06/42/888610642.db2.gz	IKEMQANMAJYCQK-QPJJXVBHSA-N	-2	3	391.217	3.687	20	30		GHEDHL
C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588771519	984140307	/nfs/dbraw/zinc/14/03/07/984140307.db2.gz	WYBRDWGVZFHMQD-ZWNOBZJWSA-N	-2	3	375.849	3.591	20	30		GHEDHL
CC#CC[C@@H](CC)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227648786	1032501601	/nfs/dbraw/zinc/50/16/01/1032501601.db2.gz	AZABONWKYHKRRV-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C#C[C@@H](Oc1cc([O-])cc2oc3c(ccc([O-])c3OC)c(=O)c12)c1ccncc1	ZINC001234750868	1040279216	/nfs/dbraw/zinc/27/92/16/1040279216.db2.gz	HAOSZDJDZHVHPW-MRXNPFEDSA-N	-2	3	389.363	3.514	20	30		GHEDHL
O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1	ZINC000739573554	600473129	/nfs/dbraw/zinc/47/31/29/600473129.db2.gz	HZFMUZILRXNZGK-KRWDZBQOSA-N	-2	3	386.835	3.876	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)cc2)o1	ZINC000822922617	606389241	/nfs/dbraw/zinc/38/92/41/606389241.db2.gz	IDLXICUVXQWZQD-FNORWQNLSA-N	-2	3	392.396	3.783	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)cc2)o1	ZINC000822922617	606389243	/nfs/dbraw/zinc/38/92/43/606389243.db2.gz	IDLXICUVXQWZQD-FNORWQNLSA-N	-2	3	392.396	3.783	20	30		GHEDHL
CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc([O-])c(Br)c([O-])c1	ZINC001148982020	904273440	/nfs/dbraw/zinc/27/34/40/904273440.db2.gz	XHRMLWXYHZOJRA-UHFFFAOYSA-N	-2	3	378.226	3.541	20	30		GHEDHL
COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)cc1	ZINC001187828209	915574820	/nfs/dbraw/zinc/57/48/20/915574820.db2.gz	IJIOHAXXXZGKBP-UHFFFAOYSA-N	-2	3	396.424	3.866	20	30		GHEDHL
C#C[C@H](CC(C)C)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227651333	1032504462	/nfs/dbraw/zinc/50/44/62/1032504462.db2.gz	UCAKWXSSLDIGEJ-CQSZACIVSA-N	-2	3	396.395	3.709	20	30		GHEDHL
N#Cc1cc(NC(=O)c2cnc3ccc(C(F)(F)F)cc3c2[O-])c([O-])cc1F	ZINC001150475744	1030539990	/nfs/dbraw/zinc/53/99/90/1030539990.db2.gz	NBSBTRFQSKJHDW-UHFFFAOYSA-N	-2	3	391.280	3.516	20	30		GHEDHL
CS(=O)(=O)[N-]c1cccc(F)c1C/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC001322458257	1056715397	/nfs/dbraw/zinc/71/53/97/1056715397.db2.gz	WGYNCKDORDLVFQ-GXHLCREISA-N	-2	3	391.251	3.829	20	30		GHEDHL
CCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)[O-]	ZINC000737179676	600056084	/nfs/dbraw/zinc/05/60/84/600056084.db2.gz	QBNJYVHJEUGKHC-CYBMUJFWSA-N	-2	3	396.424	3.648	20	30		GHEDHL
O=C([O-])c1ccc(OCc2ccccc2)c(N=Cc2ccc(O)c([O-])c2O)c1	ZINC000833322142	601950772	/nfs/dbraw/zinc/95/07/72/601950772.db2.gz	FMBNGHLMUSWJOZ-UHFFFAOYSA-N	-2	3	379.368	3.831	20	30		GHEDHL
N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)ccc1[O-]	ZINC001201363186	875641340	/nfs/dbraw/zinc/64/13/40/875641340.db2.gz	AJRJWIFDSIWRLK-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1	ZINC001201370810	875644332	/nfs/dbraw/zinc/64/43/32/875644332.db2.gz	GJPJGKGMTHMHEE-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
C=CC[C@@H](C=C)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234740617	1040266197	/nfs/dbraw/zinc/26/61/97/1040266197.db2.gz	ZNPQKHQMKYRJAQ-CYBMUJFWSA-N	-2	3	382.368	3.792	20	30		GHEDHL
C=CCOCC(COCC=C)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12	ZINC001234742103	1040268301	/nfs/dbraw/zinc/26/83/01/1040268301.db2.gz	MPLLKRDEWRXINH-UHFFFAOYSA-N	-2	3	398.411	3.510	20	30		GHEDHL
N#C[C@H](Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21)c1cccc(F)c1	ZINC001234751269	1040280153	/nfs/dbraw/zinc/28/01/53/1040280153.db2.gz	WLDAAWPEJYWFCJ-KRWDZBQOSA-N	-2	3	393.326	3.846	20	30		GHEDHL
Cc1ncc(CO)c(C=Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)c1[O-]	ZINC000833008769	601950429	/nfs/dbraw/zinc/95/04/29/601950429.db2.gz	USIJIQWPNAWSDY-UHFFFAOYSA-N	-2	3	392.411	3.616	20	30		GHEDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cc1C(=O)[O-]	ZINC000451083165	877336809	/nfs/dbraw/zinc/33/68/09/877336809.db2.gz	HRPSFPKINHGVRJ-UHFFFAOYSA-N	-2	3	388.445	3.543	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000826400421	899770243	/nfs/dbraw/zinc/77/02/43/899770243.db2.gz	YUXYRWYBSIOBDL-RQOWECAXSA-N	-2	3	379.178	3.914	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000826400421	899770251	/nfs/dbraw/zinc/77/02/51/899770251.db2.gz	YUXYRWYBSIOBDL-RQOWECAXSA-N	-2	3	379.178	3.914	20	30		GHEDHL
[O-]/N=C(/c1ccccc1)[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226781238	1032125327	/nfs/dbraw/zinc/12/53/27/1032125327.db2.gz	YGEUUNNBJPBEQY-DNPFKWNUSA-N	-2	3	377.429	3.640	20	30		GHEDHL
C#C[C@H](CC(C)C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229445339	1033485541	/nfs/dbraw/zinc/48/55/41/1033485541.db2.gz	CYWMNIGXQCTSMX-CQSZACIVSA-N	-2	3	396.395	3.709	20	30		GHEDHL
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([O-])Cc2ccccc2Cl)n1	ZINC001472619888	1073579579	/nfs/dbraw/zinc/57/95/79/1073579579.db2.gz	IPJIGHUKUWQKCX-UHFFFAOYSA-N	-2	3	375.787	3.710	20	30		GHEDHL
N#Cc1c(NC(=O)c2cc([O-])c(Br)c([O-])c2)sc2c1CCC2	ZINC001148981628	904272121	/nfs/dbraw/zinc/27/21/21/904272121.db2.gz	NWQHKBZZAKCZAS-UHFFFAOYSA-N	-2	3	379.235	3.534	20	30		GHEDHL
CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC001595532027	981369739	/nfs/dbraw/zinc/36/97/39/981369739.db2.gz	CSKMQYCRDIKQLV-UHFFFAOYSA-N	-2	3	393.292	3.832	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1ccccc1F	ZINC001228123126	1032798370	/nfs/dbraw/zinc/79/83/70/1032798370.db2.gz	RUNHTOIOJKXLOB-HXUWFJFHSA-N	-2	3	379.343	3.817	20	30		GHEDHL
C[C@@H](CC(C)(C)S)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12	ZINC001234128817	1039869084	/nfs/dbraw/zinc/86/90/84/1039869084.db2.gz	NYWGMTVUOGRJEG-VIFPVBQESA-N	-2	3	376.430	3.929	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(Br)c(Cl)s1	ZINC001260491729	1045514691	/nfs/dbraw/zinc/51/46/91/1045514691.db2.gz	SOLPGQVYURTRJX-UHFFFAOYSA-N	-2	3	393.671	3.542	20	30		GHEDHL
COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1OCCC(=O)[O-]	ZINC000763373975	889012861	/nfs/dbraw/zinc/01/28/61/889012861.db2.gz	ODPNYXNJQKYULW-NASPGAHYSA-N	-2	3	386.375	3.777	20	30		GHEDHL
C=CCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCCC1	ZINC001588782109	984170438	/nfs/dbraw/zinc/17/04/38/984170438.db2.gz	PCBZDTPHLGNMLJ-UHFFFAOYSA-N	-2	3	389.876	3.982	20	30		GHEDHL
N#C[C@@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1cccc(F)c1	ZINC001234753089	1040281919	/nfs/dbraw/zinc/28/19/19/1040281919.db2.gz	LSQHHNUZJFNLOT-LJQANCHMSA-N	-2	3	393.326	3.846	20	30		GHEDHL
N#Cc1ccc(CS(=O)(=O)[N-]c2c([O-])cc(C(F)(F)F)cc2Cl)cc1	ZINC001260045116	1045370232	/nfs/dbraw/zinc/37/02/32/1045370232.db2.gz	BLOHDMWXJYHVKU-UHFFFAOYSA-N	-2	3	390.770	3.878	20	30		GHEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1[O-]	ZINC001186776902	914799467	/nfs/dbraw/zinc/79/94/67/914799467.db2.gz	GGSMOZCUHWESHL-UHFFFAOYSA-N	-2	3	392.742	3.617	20	30		GHEDHL
C#C[C@H](Oc1c(-c2ccc(O)c(OC)c2)oc2cc([O-])cc([O-])c2c1=O)C(C)C	ZINC001229796972	1033723139	/nfs/dbraw/zinc/72/31/39/1033723139.db2.gz	OZCLLWSCDZPGPO-INIZCTEOSA-N	-2	3	396.395	3.622	20	30		GHEDHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(Br)ccc1[O-]	ZINC000740053896	600153671	/nfs/dbraw/zinc/15/36/71/600153671.db2.gz	HFRVRKMSOWSTRH-LIQPLZLLSA-N	-2	3	387.233	3.751	20	30		GHEDHL
COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc(Br)c1[O-]	ZINC000831975266	604627117	/nfs/dbraw/zinc/62/71/17/604627117.db2.gz	DGAABOKXJMFYBQ-FARCUNLSSA-N	-2	3	377.190	3.758	20	30		GHEDHL
N#CC1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCCC1	ZINC000548242787	842261136	/nfs/dbraw/zinc/26/11/36/842261136.db2.gz	USGNIXFPSDYGHL-UHFFFAOYSA-N	-2	3	377.249	3.517	20	30		GHEDHL
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])cc1C(F)(F)F	ZINC001196680634	873282005	/nfs/dbraw/zinc/28/20/05/873282005.db2.gz	VWAYEFMKSRVFHJ-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
CCOc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cc(Br)c1[O-]	ZINC000212111994	896687234	/nfs/dbraw/zinc/68/72/34/896687234.db2.gz	WGEVRQJNUULMNV-VIZOYTHASA-N	-2	3	377.190	3.875	20	30		GHEDHL
N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000409871606	925081331	/nfs/dbraw/zinc/08/13/31/925081331.db2.gz	RTUMNLGJCQBRAS-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
C#C[C@H](CC(C)C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227462498	1032429930	/nfs/dbraw/zinc/42/99/30/1032429930.db2.gz	LZNMERFAIYUEMC-CQSZACIVSA-N	-2	3	396.395	3.709	20	30		GHEDHL
CC#CC[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227463019	1032430052	/nfs/dbraw/zinc/43/00/52/1032430052.db2.gz	ROFMADFBMIKYOL-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C=C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1	ZINC001229789136	1033716844	/nfs/dbraw/zinc/71/68/44/1033716844.db2.gz	DTPNGJWSBCHJPO-GOSISDBHSA-N	-2	3	394.379	3.752	20	30		GHEDHL
C#C[C@@H](Oc1c(-c2ccc(O)c(OC)c2)oc2cc([O-])cc([O-])c2c1=O)C(C)C	ZINC001229796973	1033723619	/nfs/dbraw/zinc/72/36/19/1033723619.db2.gz	OZCLLWSCDZPGPO-MRXNPFEDSA-N	-2	3	396.395	3.622	20	30		GHEDHL
COc1ccc([C@H](CC(=O)[O-])/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000737948597	600494537	/nfs/dbraw/zinc/49/45/37/600494537.db2.gz	JPUKVRJSTWBGBS-HNIBHBHRSA-N	-2	3	378.222	3.798	20	30		GHEDHL
Cc1cc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(Br)c2)ccc1[O-]	ZINC000742434437	867304954	/nfs/dbraw/zinc/30/49/54/867304954.db2.gz	ITQRKIITVXHYQB-DJWKRKHSSA-N	-2	3	391.217	3.823	20	30		GHEDHL
CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1[O-]	ZINC000811703831	889880277	/nfs/dbraw/zinc/88/02/77/889880277.db2.gz	IESREGPJPLRROU-UHFFFAOYSA-N	-2	3	380.853	3.643	20	30		GHEDHL
COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)cc1	ZINC001187829187	915575950	/nfs/dbraw/zinc/57/59/50/915575950.db2.gz	ZZGRGQJGCPXDPS-UHFFFAOYSA-N	-2	3	396.424	3.866	20	30		GHEDHL
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3ccccc3c2[O-])C1=O	ZINC000784812339	932008203	/nfs/dbraw/zinc/00/82/03/932008203.db2.gz	RIHXYKPPMPEXQQ-JOCHJYFZSA-N	-2	3	397.475	3.861	20	30		GHEDHL
C[C@](Cc1ccc(Cl)cc1)([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-]	ZINC001592838526	979589239	/nfs/dbraw/zinc/58/92/39/979589239.db2.gz	PEEJXFWWXRSGFN-GOSISDBHSA-N	-2	3	392.789	3.506	20	30		GHEDHL
CCCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F	ZINC001595704500	982276182	/nfs/dbraw/zinc/27/61/82/982276182.db2.gz	QUGXTVXHDWXDQR-UHFFFAOYSA-N	-2	3	396.278	3.535	20	30		GHEDHL
C=C1O[C@H](CC)C(=O)C1Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O	ZINC001229774482	1033703952	/nfs/dbraw/zinc/70/39/52/1033703952.db2.gz	QOALAINWBXNIRN-OAHLLOKOSA-N	-2	3	394.379	3.859	20	30		GHEDHL
C#C[C@H](CCC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229796487	1033722851	/nfs/dbraw/zinc/72/28/51/1033722851.db2.gz	LNFKSUMMDPOOOH-CQSZACIVSA-N	-2	3	396.395	3.766	20	30		GHEDHL
CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1	ZINC001197365012	873739549	/nfs/dbraw/zinc/73/95/49/873739549.db2.gz	GPINBUXAYAAJNP-UHFFFAOYSA-N	-2	3	387.480	3.645	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)cc2)o1	ZINC000822922615	606388991	/nfs/dbraw/zinc/38/89/91/606388991.db2.gz	IDLXICUVXQWZQD-ALCCZGGFSA-N	-2	3	392.396	3.783	20	30		GHEDHL
O=C([O-])c1ccc(-c2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)cc2)o1	ZINC000822922615	606388993	/nfs/dbraw/zinc/38/89/93/606388993.db2.gz	IDLXICUVXQWZQD-ALCCZGGFSA-N	-2	3	392.396	3.783	20	30		GHEDHL
COc1ccc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)c([O-])c1	ZINC000757472068	929712827	/nfs/dbraw/zinc/71/28/27/929712827.db2.gz	KUIIWJHSVUMCOS-ZZXKWVIFSA-N	-2	3	379.206	3.774	20	30		GHEDHL
CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C=CC(=O)[O-])o2)cc1	ZINC001595009231	982933011	/nfs/dbraw/zinc/93/30/11/982933011.db2.gz	GVORDSDGCUCBIN-HCUKFCKBSA-N	-2	3	380.400	3.852	20	30		GHEDHL
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(Br)ccc1[O-]	ZINC000756899331	1023852168	/nfs/dbraw/zinc/85/21/68/1023852168.db2.gz	WRZQFQKINHXZQS-UHFFFAOYSA-N	-2	3	379.210	3.698	20	30		GHEDHL
N#Cc1ccc(CSc2n[n-]c(=NCc3c(F)ccc([O-])c3F)s2)cc1	ZINC000580256037	839135979	/nfs/dbraw/zinc/13/59/79/839135979.db2.gz	QLOBHZQNVNUERT-UHFFFAOYSA-N	-2	3	390.440	3.720	20	30		GHEDHL
N#CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCCCCC1	ZINC001192438761	870400529	/nfs/dbraw/zinc/40/05/29/870400529.db2.gz	SNIVRMXQIWJMRB-UHFFFAOYSA-N	-2	3	391.276	3.586	20	30		GHEDHL
CCCCCCCNC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21	ZINC001191104570	917758144	/nfs/dbraw/zinc/75/81/44/917758144.db2.gz	JCZHMVYTLZPANA-UHFFFAOYSA-N	-2	3	380.466	3.884	20	30		GHEDHL
C[C@@](Cc1ccc(Cl)cc1)([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-]	ZINC001592838529	979589322	/nfs/dbraw/zinc/58/93/22/979589322.db2.gz	PEEJXFWWXRSGFN-SFHVURJKSA-N	-2	3	392.789	3.506	20	30		GHEDHL
C#C[C@@H](CCCC)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229445193	1033485262	/nfs/dbraw/zinc/48/52/62/1033485262.db2.gz	BTYOCMCNTITAOX-AWEZNQCLSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C#C[C@@H](CCC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229796485	1033723692	/nfs/dbraw/zinc/72/36/92/1033723692.db2.gz	LNFKSUMMDPOOOH-AWEZNQCLSA-N	-2	3	396.395	3.766	20	30		GHEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21	ZINC001599941782	985464123	/nfs/dbraw/zinc/46/41/23/985464123.db2.gz	UDCVYBKEAQKYAU-LJQANCHMSA-N	-2	3	394.427	3.527	20	30		GHEDHL
C=CC[C@@H](C=C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227463079	1032429967	/nfs/dbraw/zinc/42/99/67/1032429967.db2.gz	SXEHQCPKFCZLTI-CYBMUJFWSA-N	-2	3	382.368	3.792	20	30		GHEDHL
C#C[C@@H](C)Oc1c([O-])c(CC=C(C)C)cc2c([O-])c3c(=O)ccc(O)c-3oc21	ZINC001234330291	1039971625	/nfs/dbraw/zinc/97/16/25/1039971625.db2.gz	CYKVDHBQXWCDAL-GFCCVEGCSA-N	-2	3	380.396	3.972	20	30		GHEDHL
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176821492	835864842	/nfs/dbraw/zinc/86/48/42/835864842.db2.gz	MTJBADGHWBHINC-UHFFFAOYSA-N	-2	3	379.445	3.522	20	30		GHEDHL
CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cc(F)c(F)c(C(=O)[O-])c1	ZINC001206004602	871296690	/nfs/dbraw/zinc/29/66/90/871296690.db2.gz	ACNHSOQETLFXLV-ODCIPOBUSA-N	-2	3	377.347	3.518	20	30		GHEDHL
C#C[C@@H]1CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1	ZINC001225627901	1031517271	/nfs/dbraw/zinc/51/72/71/1031517271.db2.gz	JVFGOCFMEAPBOL-PXAZEXFGSA-N	-2	3	378.380	3.758	20	30		GHEDHL
C[C@H](C#N)CSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nnn[n-]1	ZINC000735504842	598493064	/nfs/dbraw/zinc/49/30/64/598493064.db2.gz	OIRRQZMXWDMMOC-GFCCVEGCSA-N	-2	3	395.517	3.927	20	30		GHEDHL
C[C@H](C#N)CSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nn[n-]n1	ZINC000735504842	598493066	/nfs/dbraw/zinc/49/30/66/598493066.db2.gz	OIRRQZMXWDMMOC-GFCCVEGCSA-N	-2	3	395.517	3.927	20	30		GHEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)c1	ZINC000775673442	872708333	/nfs/dbraw/zinc/70/83/33/872708333.db2.gz	VIYHYWCFZWCQCD-IBGZPJMESA-N	-2	3	394.452	3.857	20	30		GHEDHL
N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1	ZINC001196096251	872876468	/nfs/dbraw/zinc/87/64/68/872876468.db2.gz	FABWNQOWLUTDOU-UHFFFAOYSA-N	-2	3	396.399	3.863	20	30		GHEDHL
O=c1[n-]c(=S)[nH]c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1N=Cc1ccccc1	ZINC001199819024	875180035	/nfs/dbraw/zinc/18/00/35/875180035.db2.gz	JIJTXTXDJKEOAX-GIJQJNRQSA-N	-2	3	383.389	3.579	20	30		GHEDHL
CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C=CC(=O)[O-])o2)cc1	ZINC001595009232	982932697	/nfs/dbraw/zinc/93/26/97/982932697.db2.gz	GVORDSDGCUCBIN-HKQUFULSSA-N	-2	3	380.400	3.852	20	30		GHEDHL
N#C[C@@H]1CC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)C1	ZINC001225625327	1031516347	/nfs/dbraw/zinc/51/63/47/1031516347.db2.gz	IEVKIQFOYSHHPD-IAQYHMDHSA-N	-2	3	379.368	3.648	20	30		GHEDHL
C#C[C@H](Oc1c(-c2ccc(OC)cc2)oc2cc([O-])cc([O-])c2c1=O)C(C)C	ZINC001229672136	1033632548	/nfs/dbraw/zinc/63/25/48/1033632548.db2.gz	POTJWLKDSINRNR-KRWDZBQOSA-N	-2	3	380.396	3.916	20	30		GHEDHL
C#C[C@H](C)Oc1c([O-])c(CC=C(C)C)cc2c([O-])c3c(=O)ccc(O)c-3oc21	ZINC001234330292	1039971870	/nfs/dbraw/zinc/97/18/70/1039971870.db2.gz	CYKVDHBQXWCDAL-LBPRGKRZSA-N	-2	3	380.396	3.972	20	30		GHEDHL
CCOc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(Br)c1[O-]	ZINC000436629321	852125182	/nfs/dbraw/zinc/12/51/82/852125182.db2.gz	VAJQTSPPAKBMDS-HYXAFXHYSA-N	-2	3	389.205	3.689	20	30		GHEDHL
N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1[O-]	ZINC001188741822	916171542	/nfs/dbraw/zinc/17/15/42/916171542.db2.gz	CCCAFIPRGPVHKS-UHFFFAOYSA-N	-2	3	376.743	3.737	20	30		GHEDHL
C#C[C@@H](CC(C)C)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227651329	1032504358	/nfs/dbraw/zinc/50/43/58/1032504358.db2.gz	UCAKWXSSLDIGEJ-AWEZNQCLSA-N	-2	3	396.395	3.709	20	30		GHEDHL
N#C[C@H]1CC[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)C1	ZINC001225625330	1031516444	/nfs/dbraw/zinc/51/64/44/1031516444.db2.gz	IEVKIQFOYSHHPD-XHDPSFHLSA-N	-2	3	379.368	3.648	20	30		GHEDHL
C#C[C@@H](CC(C)C)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234739169	1040265977	/nfs/dbraw/zinc/26/59/77/1040265977.db2.gz	DSPQWTLRVUFZKM-AWEZNQCLSA-N	-2	3	396.395	3.709	20	30		GHEDHL
N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)c1	ZINC000520187480	599974388	/nfs/dbraw/zinc/97/43/88/599974388.db2.gz	PBBRLSHLMXRFNY-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)ccc1C(=O)[O-]	ZINC000451086104	877343680	/nfs/dbraw/zinc/34/36/80/877343680.db2.gz	MDQXDYVTMFXERJ-UHFFFAOYSA-N	-2	3	388.445	3.543	20	30		GHEDHL
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000916259374	888862373	/nfs/dbraw/zinc/86/23/73/888862373.db2.gz	IGOIQOQUVNZYDZ-UHFFFAOYSA-N	-2	3	399.628	3.961	20	30		GHEDHL
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3ccccc3c2[O-])C1=O	ZINC000784812346	932008272	/nfs/dbraw/zinc/00/82/72/932008272.db2.gz	RIHXYKPPMPEXQQ-QFIPXVFZSA-N	-2	3	397.475	3.861	20	30		GHEDHL
C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001588771027	984137531	/nfs/dbraw/zinc/13/75/31/984137531.db2.gz	MBUZZTKPTAEEGF-IINYFYTJSA-N	-2	3	375.849	3.591	20	30		GHEDHL
CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222385965	1030100121	/nfs/dbraw/zinc/10/01/21/1030100121.db2.gz	DFYHVTFPTSDHGI-ODCIPOBUSA-N	-2	3	377.347	3.518	20	30		GHEDHL
C=C[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229797002	1033722567	/nfs/dbraw/zinc/72/25/67/1033722567.db2.gz	PZOORPPAENVIML-ZDUSSCGKSA-N	-2	3	384.384	3.929	20	30		GHEDHL
C[C@H](CC(C)(C)S)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234754762	1040284597	/nfs/dbraw/zinc/28/45/97/1040284597.db2.gz	YJDILSGLHPKKMU-SECBINFHSA-N	-2	3	376.430	3.929	20	30		GHEDHL
COc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000806559060	884812442	/nfs/dbraw/zinc/81/24/42/884812442.db2.gz	SYECJYCYDMBVLQ-AATRIKPKSA-N	-2	3	377.190	3.758	20	30		GHEDHL
CC(C)(C#N)CS(=O)(=O)[N-]c1cc(F)c(OC2CCCCC2)cc1C(=O)[O-]	ZINC000753524765	929389254	/nfs/dbraw/zinc/38/92/54/929389254.db2.gz	WXDLMAGPIOXTDD-UHFFFAOYSA-N	-2	3	398.456	3.527	20	30		GHEDHL
C=C1O[C@@H](CC)C(=O)C1Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O	ZINC001229774480	1033704052	/nfs/dbraw/zinc/70/40/52/1033704052.db2.gz	QOALAINWBXNIRN-HNNXBMFYSA-N	-2	3	394.379	3.859	20	30		GHEDHL
COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1	ZINC001234610799	1040168499	/nfs/dbraw/zinc/16/84/99/1040168499.db2.gz	VIIVZVHUWUZGAS-YLPLVBRQSA-N	-2	3	396.374	3.712	20	30		GHEDHL
C[C@@H](CC(C)(C)S)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749831	1040276218	/nfs/dbraw/zinc/27/62/18/1040276218.db2.gz	DZTUMJNWUWKOMO-VIFPVBQESA-N	-2	3	376.430	3.929	20	30		GHEDHL
N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC001260221196	1045418328	/nfs/dbraw/zinc/41/83/28/1045418328.db2.gz	DGULYEZZADFVLL-UHFFFAOYSA-N	-2	3	378.409	3.724	20	30		GHEDHL
CCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)[O-]	ZINC000737179677	600056027	/nfs/dbraw/zinc/05/60/27/600056027.db2.gz	QBNJYVHJEUGKHC-ZDUSSCGKSA-N	-2	3	396.424	3.648	20	30		GHEDHL
COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000737948596	600494409	/nfs/dbraw/zinc/49/44/09/600494409.db2.gz	JPUKVRJSTWBGBS-GDXCHIGESA-N	-2	3	378.222	3.798	20	30		GHEDHL
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1	ZINC000443421397	858660391	/nfs/dbraw/zinc/66/03/91/858660391.db2.gz	CQSHYYHCEFMGTK-UHFFFAOYSA-N	-2	3	375.446	3.703	20	30		GHEDHL
CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Br)c1[O-]	ZINC000916240875	888847999	/nfs/dbraw/zinc/84/79/99/888847999.db2.gz	ZWRMFZZEPKSBFE-UHFFFAOYSA-N	-2	3	379.210	3.698	20	30		GHEDHL
C#CCOc1cccc(Cl)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC001573311572	962705336	/nfs/dbraw/zinc/70/53/36/962705336.db2.gz	CBIGBIAUSARUQM-UHFFFAOYSA-N	-2	3	394.254	3.798	20	30		GHEDHL
C#C[C@H](CCCC)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229445195	1033485724	/nfs/dbraw/zinc/48/57/24/1033485724.db2.gz	BTYOCMCNTITAOX-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
C=C(C)C[C@H](Oc1c(C(=O)c2cc(O)c([O-])c(O)c2)ccc([O-])c1O)C(=C)C	ZINC001229794082	1033720927	/nfs/dbraw/zinc/72/09/27/1033720927.db2.gz	YWNBMYKIMGIQNK-KRWDZBQOSA-N	-2	3	386.400	3.735	20	30		GHEDHL
CCC1=C(Oc2cc(-c3cc(=O)c4ccc([O-])cc4o3)ccc2[O-])C(=O)[C@@H](C)O1	ZINC001234498771	1040081180	/nfs/dbraw/zinc/08/11/80/1040081180.db2.gz	ZECIEVUNYRMANH-LLVKDONJSA-N	-2	3	394.379	3.859	20	30		GHEDHL
C[C@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21	ZINC001234749806	1040277920	/nfs/dbraw/zinc/27/79/20/1040277920.db2.gz	DGSFAMGFWPQMIF-LLVKDONJSA-N	-2	3	384.460	3.711	20	30		GHEDHL
N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC000519060375	850555674	/nfs/dbraw/zinc/55/56/74/850555674.db2.gz	YUZDUJHMQZWHPW-UHFFFAOYSA-N	-2	3	394.408	3.850	20	30		GHEDHL
COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc(Br)c1[O-]	ZINC000209186888	864518458	/nfs/dbraw/zinc/51/84/58/864518458.db2.gz	QSLSENDLNGYZPE-IHWYPQMZSA-N	-2	3	383.219	3.819	20	30		GHEDHL
CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(C(=O)[O-])co1	ZINC001589016554	984996338	/nfs/dbraw/zinc/99/63/38/984996338.db2.gz	YOZVKLVDBXPPIU-UHFFFAOYSA-N	-2	3	399.428	3.615	20	30		GHEDHL
C=CC[C@H](C=C)Oc1c(=O)c2c([O-])c(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC001234740618	1040265636	/nfs/dbraw/zinc/26/56/36/1040265636.db2.gz	ZNPQKHQMKYRJAQ-ZDUSSCGKSA-N	-2	3	382.368	3.792	20	30		GHEDHL
N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000915190640	885987049	/nfs/dbraw/zinc/98/70/49/885987049.db2.gz	FUUPHWDZDLULKN-HXUWFJFHSA-N	-2	3	392.436	3.841	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)c1ccccc1F	ZINC001234127293	1039871096	/nfs/dbraw/zinc/87/10/96/1039871096.db2.gz	FIHGFSNRWKNQLC-KRWDZBQOSA-N	-2	3	393.326	3.846	20	30		GHEDHL
C#C[C@H](Oc1cc([O-])cc2oc3c(ccc([O-])c3OC)c(=O)c12)c1ccncc1	ZINC001234750867	1040280658	/nfs/dbraw/zinc/28/06/58/1040280658.db2.gz	HAOSZDJDZHVHPW-INIZCTEOSA-N	-2	3	389.363	3.514	20	30		GHEDHL
C#C[C@H](Oc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O)c1ccncc1	ZINC001234795062	1040326171	/nfs/dbraw/zinc/32/61/71/1040326171.db2.gz	AGRZWAFNQXCCFD-INIZCTEOSA-N	-2	3	389.363	3.514	20	30		GHEDHL
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(C)c1OCC(=O)[O-]	ZINC000832858776	601499001	/nfs/dbraw/zinc/49/90/01/601499001.db2.gz	FVLCVWGUNVMKOD-CQSZACIVSA-N	-2	3	380.425	3.867	20	30		GHEDHL
N#CC1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCCCC1	ZINC000548261076	842319897	/nfs/dbraw/zinc/31/98/97/842319897.db2.gz	CNWUGDMUPNJRIR-UHFFFAOYSA-N	-2	3	391.276	3.907	20	30		GHEDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C#N)CCCC3)cc2)cc1C(=O)[O-]	ZINC001184696113	913363710	/nfs/dbraw/zinc/36/37/10/913363710.db2.gz	AFRAAFKWOUIOCO-UHFFFAOYSA-N	-2	3	384.457	3.829	20	30		GHEDHL
Cc1ccc([N-]S(=O)(=O)CC2(C#N)CCCCC2)c(SCCC(=O)[O-])c1	ZINC000568864422	898174501	/nfs/dbraw/zinc/17/45/01/898174501.db2.gz	SETGLLFULAPJBP-UHFFFAOYSA-N	-2	3	396.534	3.778	20	30		GHEDHL
N#Cc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1	ZINC001186655388	914709792	/nfs/dbraw/zinc/70/97/92/914709792.db2.gz	GPRZMCXHDWCYEV-UHFFFAOYSA-N	-2	3	380.425	3.644	20	30		GHEDHL
C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588744004	984040682	/nfs/dbraw/zinc/04/06/82/984040682.db2.gz	GLOARYKQSXKVFR-CQSZACIVSA-N	-2	3	397.855	3.643	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1ccccc1F	ZINC001228123125	1032797964	/nfs/dbraw/zinc/79/79/64/1032797964.db2.gz	RUNHTOIOJKXLOB-FQEVSTJZSA-N	-2	3	379.343	3.817	20	30		GHEDHL
C=CC[C@@H](C=C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229447379	1033485516	/nfs/dbraw/zinc/48/55/16/1033485516.db2.gz	QFKLUJUIPBGXJX-CYBMUJFWSA-N	-2	3	382.368	3.792	20	30		GHEDHL
C=C(C)C[C@@H](Oc1c(C(=O)c2cc(O)c([O-])c(O)c2)ccc([O-])c1O)C(=C)C	ZINC001229794093	1033722189	/nfs/dbraw/zinc/72/21/89/1033722189.db2.gz	YWNBMYKIMGIQNK-QGZVFWFLSA-N	-2	3	386.400	3.735	20	30		GHEDHL
N#CC(=C([O-])c1ccc(F)c(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1	ZINC000740303387	603170925	/nfs/dbraw/zinc/17/09/25/603170925.db2.gz	IZDJVWBYIJADSQ-GFCCVEGCSA-N	-2	3	382.376	3.924	20	30		GHEDHL
C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588744001	984040732	/nfs/dbraw/zinc/04/07/32/984040732.db2.gz	GLOARYKQSXKVFR-AWEZNQCLSA-N	-2	3	397.855	3.643	20	30		GHEDHL
C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001588771516	984140250	/nfs/dbraw/zinc/14/02/50/984140250.db2.gz	WYBRDWGVZFHMQD-GWCFXTLKSA-N	-2	3	375.849	3.591	20	30		GHEDHL
CCc1oc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1C(=O)[O-]	ZINC001597792897	989335749	/nfs/dbraw/zinc/33/57/49/989335749.db2.gz	LAXJJZXXTBIAOV-UHFFFAOYSA-N	-2	3	388.474	3.595	20	30		GHEDHL
O=c1[n-]c(=S)[nH]c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1N=Cc1ccccc1	ZINC001210394089	1027486447	/nfs/dbraw/zinc/48/64/47/1027486447.db2.gz	NQKLJOSTTZDUCH-GIJQJNRQSA-N	-2	3	383.389	3.579	20	30		GHEDHL
C=C[C@H](CCCCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001229786081	1033713400	/nfs/dbraw/zinc/71/34/00/1033713400.db2.gz	LNRMLKDRAGNXCS-CYBMUJFWSA-N	-2	3	388.416	3.959	20	30		GHEDHL
C#CC[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(OC)c1	ZINC001229794607	1033721097	/nfs/dbraw/zinc/72/10/97/1033721097.db2.gz	CDXDATLGBDRRNO-AWEZNQCLSA-N	-2	3	396.395	3.766	20	30		GHEDHL
C#C[C@@H](Oc1cc2c(cc1[O-])oc1cc([O-])cc(OC)c1c2=O)c1ccncc1	ZINC001234795065	1040326324	/nfs/dbraw/zinc/32/63/24/1040326324.db2.gz	AGRZWAFNQXCCFD-MRXNPFEDSA-N	-2	3	389.363	3.514	20	30		GHEDHL
O=C([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000727058657	600005789	/nfs/dbraw/zinc/00/57/89/600005789.db2.gz	TUVZDNVISCFJCT-UHFFFAOYSA-N	-2	3	395.440	3.632	20	30		GHEDHL
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cc(-c3nnn[n-]3)ccc2Cl)c1[O-]	ZINC000823635322	606661888	/nfs/dbraw/zinc/66/18/88/606661888.db2.gz	VSYIZKNFAMUIIJ-UHFFFAOYSA-N	-2	3	379.163	3.538	20	30		GHEDHL
O=[N+]([O-])c1cc(Cl)cc(C=Nc2cc(-c3nn[n-]n3)ccc2Cl)c1[O-]	ZINC000823635322	606661889	/nfs/dbraw/zinc/66/18/89/606661889.db2.gz	VSYIZKNFAMUIIJ-UHFFFAOYSA-N	-2	3	379.163	3.538	20	30		GHEDHL
N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1c([O-])c(F)c(F)c(F)c1F	ZINC001195290622	872315371	/nfs/dbraw/zinc/31/53/71/872315371.db2.gz	MAHIQDPQXLOWGG-UHFFFAOYSA-N	-2	3	388.280	3.530	20	30		GHEDHL
COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc(Br)c1[O-]	ZINC000007333327	919081995	/nfs/dbraw/zinc/08/19/95/919081995.db2.gz	QSLSENDLNGYZPE-NSCUHMNNSA-N	-2	3	383.219	3.819	20	30		GHEDHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1Cl	ZINC000753785168	929537384	/nfs/dbraw/zinc/53/73/84/929537384.db2.gz	WEBCWMXZAFCWSZ-UHFFFAOYSA-N	-2	3	385.228	3.673	20	30		GHEDHL
C=CC[C@H](C=C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC001227463083	1032429899	/nfs/dbraw/zinc/42/98/99/1032429899.db2.gz	SXEHQCPKFCZLTI-ZDUSSCGKSA-N	-2	3	382.368	3.792	20	30		GHEDHL
CSc1nc(Cl)c(C=N[O-])c(Nc2c(C)c(=O)[n-]n2-c2ccccc2)n1	ZINC001163111085	1026049297	/nfs/dbraw/zinc/04/92/97/1026049297.db2.gz	NCMDMXOEAZTYIW-QGMBQPNBSA-N	-2	3	390.856	3.603	20	30		GHEDHL
CCCCCCN([O-])C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC001306896771	1048950021	/nfs/dbraw/zinc/95/00/21/1048950021.db2.gz	LIUZFMKGSYKFTG-UHFFFAOYSA-N	-2	3	396.534	3.890	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000826400420	899770008	/nfs/dbraw/zinc/77/00/08/899770008.db2.gz	YUXYRWYBSIOBDL-DUXPYHPUSA-N	-2	3	379.178	3.914	20	30		GHEDHL
O=C(C=Cc1cc(Cl)c([O-])cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000826400420	899770011	/nfs/dbraw/zinc/77/00/11/899770011.db2.gz	YUXYRWYBSIOBDL-DUXPYHPUSA-N	-2	3	379.178	3.914	20	30		GHEDHL
CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(C(=O)[O-])o1	ZINC000773053869	904401224	/nfs/dbraw/zinc/40/12/24/904401224.db2.gz	FKHYBWNPMVLXCB-UHFFFAOYSA-N	-2	3	399.428	3.615	20	30		GHEDHL
COc1ccc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)c([O-])c1	ZINC000757472065	929712653	/nfs/dbraw/zinc/71/26/53/929712653.db2.gz	KUIIWJHSVUMCOS-UTCJRWHESA-N	-2	3	379.206	3.774	20	30		GHEDHL
C=C(C)C(=O)OC[C@H](C)Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O	ZINC001229771590	1033702429	/nfs/dbraw/zinc/70/24/29/1033702429.db2.gz	KJJYBSRTBFXZBN-ZDUSSCGKSA-N	-2	3	396.395	3.758	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1cccc(F)c1	ZINC001234753084	1040281974	/nfs/dbraw/zinc/28/19/74/1040281974.db2.gz	LSQHHNUZJFNLOT-IBGZPJMESA-N	-2	3	393.326	3.846	20	30		GHEDHL
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000743448464	868197294	/nfs/dbraw/zinc/19/72/94/868197294.db2.gz	QCZMVMFZIKPBEB-UHFFFAOYSA-N	-2	3	387.288	3.585	20	30		GHEDHL
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(C(=O)[O-])nn2-c2ccccc2)s1	ZINC001590515672	990129003	/nfs/dbraw/zinc/12/90/03/990129003.db2.gz	ZLXYJTVKGPUSRA-ZDUSSCGKSA-N	-2	3	394.456	3.815	20	30		GHEDHL
C=CC[C@H](C=C)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1	ZINC001227650951	1032503232	/nfs/dbraw/zinc/50/32/32/1032503232.db2.gz	RDNICOPSCJRGJY-ZDUSSCGKSA-N	-2	3	382.368	3.792	20	30		GHEDHL
CCOC(=O)c1cc(C#N)c(NC(=O)c2c([O-])ccc3ccccc32)c(C)c1[O-]	ZINC001153505506	1031622311	/nfs/dbraw/zinc/62/23/11/1031622311.db2.gz	NRKLOPLUVFMOJU-UHFFFAOYSA-N	-2	3	390.395	3.860	20	30		GHEDHL
C=C[C@H](C#CC#CC/C=C\CCCCCCC)Oc1[n-]c(=O)nc2cn[n-]c21	ZINC001233940260	1039717179	/nfs/dbraw/zinc/71/71/79/1039717179.db2.gz	VFRLFPUEXYBDCO-RXQFDZFGSA-N	-2	3	378.476	3.893	20	30		GHEDHL
N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc(F)c1F	ZINC001260876498	1045732630	/nfs/dbraw/zinc/73/26/30/1045732630.db2.gz	DZZFHXALEOHCDH-UHFFFAOYSA-N	-2	3	379.171	3.650	20	30		GHEDHL
COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)[nH]c(C(=O)[O-])c3C)n2)cc1	ZINC000832124591	604881274	/nfs/dbraw/zinc/88/12/74/604881274.db2.gz	VVYCNGGHYPJEMC-AWEZNQCLSA-N	-2	3	395.440	3.952	20	30		GHEDHL
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1F	ZINC001196088644	872872848	/nfs/dbraw/zinc/87/28/48/872872848.db2.gz	BSIICNMGGRYNQI-UHFFFAOYSA-N	-2	3	396.399	3.863	20	30		GHEDHL
N#Cc1nc2ccc(NC(=O)c3cc([O-])c(Br)c([O-])c3)cc2s1	ZINC001148988853	904274094	/nfs/dbraw/zinc/27/40/94/904274094.db2.gz	ZPYFXUSYACZDOY-UHFFFAOYSA-N	-2	3	390.218	3.594	20	30		GHEDHL
CC#CC[C@@H](CC)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12	ZINC001229446752	1033485560	/nfs/dbraw/zinc/48/55/60/1033485560.db2.gz	KVPYKSWKIZVJKZ-CQSZACIVSA-N	-2	3	396.395	3.853	20	30		GHEDHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CC[C@H](C#N)C2)cc1	ZINC001229669273	1033630473	/nfs/dbraw/zinc/63/04/73/1033630473.db2.gz	OVAZJMIYASVCOS-BLLLJJGKSA-N	-2	3	393.395	3.951	20	30		GHEDHL
C=CC(C=C)Oc1c(-c2ccc(O)c(OC)c2)oc2cc([O-])cc([O-])c2c1=O	ZINC001229797194	1033724046	/nfs/dbraw/zinc/72/40/46/1033724046.db2.gz	UNPMNHLOHGODKI-UHFFFAOYSA-N	-2	3	382.368	3.705	20	30		GHEDHL
C[C@@H](CC(C)(C)S)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC001234754766	1040284505	/nfs/dbraw/zinc/28/45/05/1040284505.db2.gz	YJDILSGLHPKKMU-VIFPVBQESA-N	-2	3	376.430	3.929	20	30		GHEDHL
N#CCCSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nnn[n-]1	ZINC000737695716	598493497	/nfs/dbraw/zinc/49/34/97/598493497.db2.gz	WBABFTUGYFVFSM-UHFFFAOYSA-N	-2	3	381.490	3.681	20	30		GHEDHL
N#CCCSc1ccccc1[N-]C(=S)Nc1ccccc1-c1nn[n-]n1	ZINC000737695716	598493499	/nfs/dbraw/zinc/49/34/99/598493499.db2.gz	WBABFTUGYFVFSM-UHFFFAOYSA-N	-2	3	381.490	3.681	20	30		GHEDHL
CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)cc(Cl)c1[O-]	ZINC000914599729	884306416	/nfs/dbraw/zinc/30/64/16/884306416.db2.gz	IITIHBUYYWJHOS-UHFFFAOYSA-N	-2	3	398.271	3.552	20	30		GHEDHL
N#Cc1cc(NC(=O)c2c([O-])cnc3ccc(Br)cc32)ccc1[O-]	ZINC001154537726	1032170235	/nfs/dbraw/zinc/17/02/35/1032170235.db2.gz	FVUPSLXKUKXYOS-UHFFFAOYSA-N	-2	3	384.189	3.532	20	30		GHEDHL
C=CCOCC(COCC=C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-]	ZINC001227306908	1032365182	/nfs/dbraw/zinc/36/51/82/1032365182.db2.gz	PVPPHLDMDBWMRP-UHFFFAOYSA-N	-2	3	398.411	3.510	20	30		GHEDHL
C=CC[C@@H](CCCC)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001229793744	1033721732	/nfs/dbraw/zinc/72/17/32/1033721732.db2.gz	XTDWEXLMKOEBHW-ZDUSSCGKSA-N	-2	3	388.416	3.959	20	30		GHEDHL
CS(=O)(=O)[N-]c1cccc(F)c1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC001322458256	1056715608	/nfs/dbraw/zinc/71/56/08/1056715608.db2.gz	WGYNCKDORDLVFQ-FBCYGCLPSA-N	-2	3	391.251	3.829	20	30		GHEDHL
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1c(F)cc(F)cc1Br)O2	ZINC000741770234	866777931	/nfs/dbraw/zinc/77/79/31/866777931.db2.gz	AMOZGTVTGWSHQF-UHFFFAOYSA-N	-2	3	383.148	3.742	20	30		GHEDHL
CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2cc([O-])cc(C(N)=O)c2)c1	ZINC001197366310	873775118	/nfs/dbraw/zinc/77/51/18/873775118.db2.gz	WBVLHCVVUFQICJ-UHFFFAOYSA-N	-2	3	398.459	3.992	20	30		GHEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000537728536	878175109	/nfs/dbraw/zinc/17/51/09/878175109.db2.gz	RITRDBHZSADXTK-UHFFFAOYSA-N	-2	3	380.231	3.859	20	30		GHEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1	ZINC000538299401	879212545	/nfs/dbraw/zinc/21/25/45/879212545.db2.gz	VVBDLLGCQCTHOW-LBPRGKRZSA-N	-2	3	378.475	3.596	20	30		GHEDHL
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(C)c1OCC(=O)[O-]	ZINC000832858773	601499059	/nfs/dbraw/zinc/49/90/59/601499059.db2.gz	FVLCVWGUNVMKOD-AWEZNQCLSA-N	-2	3	380.425	3.867	20	30		GHEDHL
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C(F)(F)F	ZINC000808113700	886024841	/nfs/dbraw/zinc/02/48/41/886024841.db2.gz	GOWHVNWSEJDNPE-UHFFFAOYSA-N	-2	3	394.733	3.876	20	30		GHEDHL
N#C[C@H](Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)c1ccccc1	ZINC001234748565	1040275300	/nfs/dbraw/zinc/27/53/00/1040275300.db2.gz	KQYSJQANBDOHOW-IBGZPJMESA-N	-2	3	375.336	3.707	20	30		GHEDHL
C#C[C@H](C)Oc1cc([O-])cc2oc3cc([O-])c4c(c3c(=O)c12)CCC(C)(C)O4	ZINC001234799880	1040330492	/nfs/dbraw/zinc/33/04/92/1040330492.db2.gz	WAQHYFDVOFHAMR-NSHDSACASA-N	-2	3	380.396	3.862	20	30		GHEDHL