smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@@]1(C(=O)[O-])[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C	ZINC000253537576	519757803	/nfs/dbraw/zinc/75/78/03/519757803.db2.gz	QCKUMXDGZMICSW-VTBXGNIRSA-N	-1	0	438.467	2.938	50	30		IFEARM
CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)ccc1OC	ZINC000013062815	520617910	/nfs/dbraw/zinc/61/79/10/520617910.db2.gz	SPIKBJULWVVBNV-ONNFQVAWSA-N	-1	0	433.482	2.743	50	30		IFEARM
CCn1c(SCC(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccco1	ZINC000040129689	523218620	/nfs/dbraw/zinc/21/86/20/523218620.db2.gz	ZUOKUVTYLNDNEN-UHFFFAOYSA-N	-1	0	449.514	2.954	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C([O-])=N1	ZINC000071283569	524324848	/nfs/dbraw/zinc/32/48/48/524324848.db2.gz	LSQDIWKOTVPBED-OWLNGIFZSA-N	-1	0	433.390	2.521	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C([O-])=N1	ZINC000071283568	524324959	/nfs/dbraw/zinc/32/49/59/524324959.db2.gz	LSQDIWKOTVPBED-SWKNLOBNSA-N	-1	0	433.390	2.521	50	30		IFEARM
N=C(NN=Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000022611704	526826200	/nfs/dbraw/zinc/82/62/00/526826200.db2.gz	FFXAMWIZRMZYJO-GTQIFZCBSA-N	-1	0	430.873	2.962	50	30		IFEARM
N#Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccccc2)ccc1Br	ZINC000253424884	556697235	/nfs/dbraw/zinc/69/72/35/556697235.db2.gz	LPKSXEUDNGNYGQ-GOSISDBHSA-N	-1	0	448.342	2.790	50	30		IFEARM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000102598818	557357574	/nfs/dbraw/zinc/35/75/74/557357574.db2.gz	QUFNSMQBOQLMJS-NHFXJNLRSA-N	-1	0	425.437	2.990	50	30		IFEARM
COc1ccc(C=NNc2nc(O)c(CC(=O)[O-])s2)cc1OC(=O)c1ccc(C)cc1	ZINC000006797985	568989859	/nfs/dbraw/zinc/98/98/59/568989859.db2.gz	WUQVMQWRDRRRSB-ZTBJCTOSSA-N	-1	0	441.465	2.619	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc(Br)c2)c1=O	ZINC000027499179	569216447	/nfs/dbraw/zinc/21/64/47/569216447.db2.gz	PFUTWGYLICIZGB-XSFVSMFZSA-N	-1	0	447.274	2.615	50	30		IFEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-]	ZINC000253498584	569283225	/nfs/dbraw/zinc/28/32/25/569283225.db2.gz	BISACJKFFWCVNW-MYWQAHBASA-N	-1	0	436.570	2.607	50	30		IFEARM
N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCO3)nc1SCC(=O)NCC(=O)[O-]	ZINC000008382616	569289698	/nfs/dbraw/zinc/28/96/98/569289698.db2.gz	RCDJAWDGWZLMGX-UHFFFAOYSA-N	-1	0	439.371	2.661	50	30		IFEARM
COCc1nnc(NC(=O)CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)s1	ZINC000012016263	569303586	/nfs/dbraw/zinc/30/35/86/569303586.db2.gz	OHCMWWOASJVZMS-UHFFFAOYSA-N	-1	0	428.499	2.758	50	30		IFEARM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000009271547	569517836	/nfs/dbraw/zinc/51/78/36/569517836.db2.gz	VSYKHXMZQHWIBU-GOBJLOIFSA-N	-1	0	425.437	2.990	50	30		IFEARM
C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000009310291	569521697	/nfs/dbraw/zinc/52/16/97/569521697.db2.gz	OXPVIXCGINDCEZ-UHFFFAOYSA-N	-1	0	430.052	2.526	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1	ZINC000009467276	569538372	/nfs/dbraw/zinc/53/83/72/569538372.db2.gz	PKZFIXSOPSPSPL-QGZVFWFLSA-N	-1	0	447.538	2.659	50	30		IFEARM
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000009492621	569540614	/nfs/dbraw/zinc/54/06/14/569540614.db2.gz	VJVDUWLZYLVTQH-UHFFFAOYSA-N	-1	0	437.543	2.788	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000009580456	569548773	/nfs/dbraw/zinc/54/87/73/569548773.db2.gz	ZAZHEUGFCJDCFA-NCUQJHPUSA-N	-1	0	441.534	2.781	50	30		IFEARM
COC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2C)cc1	ZINC000009850785	569571379	/nfs/dbraw/zinc/57/13/79/569571379.db2.gz	VQAWEUQEDDFNJK-FRKCRFBYSA-N	-1	0	441.465	2.762	50	30		IFEARM
COc1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc(OC)c1	ZINC000039994011	522322376	/nfs/dbraw/zinc/32/23/76/522322376.db2.gz	UVQCWEVFYUWOAN-UHFFFAOYSA-N	-1	0	436.486	2.949	50	30		IFEARM
COCC/N=C/c1cc(I)cc(I)c1[O-]	ZINC000013134645	522828722	/nfs/dbraw/zinc/82/87/22/522828722.db2.gz	CJYRASXTYRIQKE-AWNIVKPZSA-N	-1	0	431.011	2.667	50	30		IFEARM
[O-]c1c(Br)cc(/C=N/NC(=S)NC[C@H]2CCCO2)cc1Br	ZINC000013657884	526322630	/nfs/dbraw/zinc/32/26/30/526322630.db2.gz	KLNDKKSFSQESDF-PXWMTNQWSA-N	-1	0	437.157	2.894	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1	ZINC000009591065	526400440	/nfs/dbraw/zinc/40/04/40/526400440.db2.gz	MJUAZFJUVBZUOW-YVEFUNNKSA-N	-1	0	435.452	2.904	50	30		IFEARM
O=C(CSc1nc(N=NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1)c1ccc2c(c1)OCO2	ZINC000020493876	527055160	/nfs/dbraw/zinc/05/51/60/527055160.db2.gz	LWVYITPYRWXEQE-FBCYGCLPSA-N	-1	0	442.413	2.568	50	30		IFEARM
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)cc1	ZINC000032961681	556575493	/nfs/dbraw/zinc/57/54/93/556575493.db2.gz	UQVGBHCMPXJOSK-UHFFFAOYSA-N	-1	0	442.541	2.784	50	30		IFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OCc1ccc(C)cc1	ZINC000016115892	556584059	/nfs/dbraw/zinc/58/40/59/556584059.db2.gz	KJMAMIQWUQSKNA-NMONLQQWSA-N	-1	0	427.482	2.979	50	30		IFEARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC000033007041	556655800	/nfs/dbraw/zinc/65/58/00/556655800.db2.gz	CZZGBBHLMCBJLQ-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
COC(=O)c1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1	ZINC000100279870	557397012	/nfs/dbraw/zinc/39/70/12/557397012.db2.gz	DBCVKCXCUOSKHG-CQLPTELBSA-N	-1	0	441.465	2.762	50	30		IFEARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)n1	ZINC000008636588	562960048	/nfs/dbraw/zinc/96/00/48/562960048.db2.gz	IAQYZYGKIMQFIA-UHFFFAOYSA-N	-1	0	443.510	2.567	50	30		IFEARM
C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1O	ZINC000014011189	568824467	/nfs/dbraw/zinc/82/44/67/568824467.db2.gz	DBIRETKICZWEQF-SXGWCWSVSA-N	-1	0	436.420	2.915	50	30		IFEARM
CCOC(=O)c1cnn(CCC#N)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000170617436	569147254	/nfs/dbraw/zinc/14/72/54/569147254.db2.gz	KRCQVLJHOKKTDJ-UHFFFAOYSA-N	-1	0	432.380	2.673	50	30		IFEARM
O=[N+]([O-])c1cccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1[O-]	ZINC000252623394	569202139	/nfs/dbraw/zinc/20/21/39/569202139.db2.gz	OQFCDVGTIZAEDY-UHFFFAOYSA-N	-1	0	426.481	2.912	50	30		IFEARM
CCOC(=O)c1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C#N)cn1CCOC	ZINC000097164875	569403361	/nfs/dbraw/zinc/40/33/61/569403361.db2.gz	FVKIVLWSAZRGDQ-UHFFFAOYSA-N	-1	0	429.857	2.776	50	30		IFEARM
CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc2c(c1)OCO2	ZINC000008445764	569464902	/nfs/dbraw/zinc/46/49/02/569464902.db2.gz	QYRPXRHAIRCBBG-BLRPHQBRSA-N	-1	0	427.438	2.704	50	30		IFEARM
CC(C)[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)[O-]	ZINC000008791092	569476163	/nfs/dbraw/zinc/47/61/63/569476163.db2.gz	TVRFXZSVWQNWGQ-YMAYPHAPSA-N	-1	0	439.420	2.636	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1	ZINC000009591074	569550141	/nfs/dbraw/zinc/55/01/41/569550141.db2.gz	MJUAZFJUVBZUOW-SJCJKPOMSA-N	-1	0	435.452	2.904	50	30		IFEARM
CN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1ccc2c(c1)OCO2	ZINC000009850613	569571406	/nfs/dbraw/zinc/57/14/06/569571406.db2.gz	UMKYCUOAYXBDLT-HZSHHLKBSA-N	-1	0	427.438	2.704	50	30		IFEARM
CC(=O)NC1C(=O)N=C(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)N=C1[O-]	ZINC000012731489	519702406	/nfs/dbraw/zinc/70/24/06/519702406.db2.gz	ZQIASTCWNCBYAH-UHFFFAOYSA-N	-1	0	447.542	2.757	50	30		IFEARM
CCOCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N\[O-]	ZINC000100250261	519975695	/nfs/dbraw/zinc/97/56/95/519975695.db2.gz	QAWKINVAGVMLOC-ZPHPHTNESA-N	-1	0	446.328	2.812	50	30		IFEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000016309594	520554239	/nfs/dbraw/zinc/55/42/39/520554239.db2.gz	XZIGEBIQNZUPIY-UHFFFAOYSA-N	-1	0	434.434	2.867	50	30		IFEARM
COc1ccc(/C(C)=N/N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000013424203	523362055	/nfs/dbraw/zinc/36/20/55/523362055.db2.gz	XWSXQOGLUSDLNB-FQIOEHTJSA-N	-1	0	440.481	2.734	50	30		IFEARM
COCCCNC(=S)N/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000012339759	523370202	/nfs/dbraw/zinc/37/02/02/523370202.db2.gz	SLJDJXMPZZUDJL-FRKPEAEDSA-N	-1	0	425.146	2.752	50	30		IFEARM
Cc1c(Cl)cccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009293337	525759418	/nfs/dbraw/zinc/75/94/18/525759418.db2.gz	NNPQQVSEFMPGQF-ORQRPPJRSA-N	-1	0	430.935	2.505	50	30		IFEARM
N=C(NN=Cc1c[nH]c2ccccc12)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000020533793	526826112	/nfs/dbraw/zinc/82/61/12/526826112.db2.gz	SCVZTFXAZLRRTQ-SCWWFSKWSA-N	-1	0	435.465	2.790	50	30		IFEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1c(F)cccc1Cl	ZINC000020519225	527122178	/nfs/dbraw/zinc/12/21/78/527122178.db2.gz	GVICHRXTAGDOOG-NDENLUEZSA-N	-1	0	432.879	2.911	50	30		IFEARM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000040129698	527159331	/nfs/dbraw/zinc/15/93/31/527159331.db2.gz	IAZWUJDVZLGOGN-ZDUSSCGKSA-N	-1	0	444.481	2.711	50	30		IFEARM
Nc1nc2n(n1)[C@@H](c1ccc(OCC(=O)[O-])cc1)C1C(=O)C[C@H](c3cccs3)CC1=N2	ZINC000018199141	527562825	/nfs/dbraw/zinc/56/28/25/527562825.db2.gz	DMJTZNQESRYNQY-BLVKFPJESA-N	-1	0	437.481	2.801	50	30		IFEARM
C=CC/N=c1\sc(CC(=O)Nc2ccccc2)c([O-])n1S(=O)(=O)c1ccccc1	ZINC000002641674	556116558	/nfs/dbraw/zinc/11/65/58/556116558.db2.gz	ZROHULJGPCPVHR-QBEKEKFNSA-N	-1	0	429.523	2.890	50	30		IFEARM
O=[N+]([O-])c1ccc(CSc2nnc3n(/N=C/c4ccc([N+](=O)[O-])cc4[O-])cnn23)cc1	ZINC000003092647	556519990	/nfs/dbraw/zinc/51/99/90/556519990.db2.gz	YMFOKUAXLMGRMW-QGMBQPNBSA-N	-1	0	440.401	2.622	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)cc1	ZINC000032961666	556575107	/nfs/dbraw/zinc/57/51/07/556575107.db2.gz	ZLFQYQDLTOQMPW-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000100643359	556639322	/nfs/dbraw/zinc/63/93/22/556639322.db2.gz	BNIRPPSTJXLFRS-UHFFFAOYSA-N	-1	0	438.436	2.569	50	30		IFEARM
COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2N=Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000100789047	556672707	/nfs/dbraw/zinc/67/27/07/556672707.db2.gz	XYDXTIIRAPFZPL-NJNXFGOHSA-N	-1	0	449.492	2.562	50	30		IFEARM
N=C(NN=Cc1ccnc2ccccc12)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000019285684	556727453	/nfs/dbraw/zinc/72/74/53/556727453.db2.gz	PYOFBVIVYWUAKH-LLXCYVELSA-N	-1	0	447.476	2.857	50	30		IFEARM
COc1ccc(C(C)=NNC(=N)S[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000019771126	556913153	/nfs/dbraw/zinc/91/31/53/556913153.db2.gz	YYFGROYZLUQKKX-FZJZADEZSA-N	-1	0	440.481	2.707	50	30		IFEARM
COc1ccc(/C=N/n2c([O-])nc3c4cc(C)ccc4[nH]c3c2=O)cc1CN1CCOCC1	ZINC000020358236	557011730	/nfs/dbraw/zinc/01/17/30/557011730.db2.gz	SDGOPSQAYWFNJR-DHRITJCHSA-N	-1	0	447.495	2.615	50	30		IFEARM
COc1ccc(C(C)=NNC(=N)S[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000100570521	557265116	/nfs/dbraw/zinc/26/51/16/557265116.db2.gz	YYFGROYZLUQKKX-UXHMZNKVSA-N	-1	0	440.481	2.707	50	30		IFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102886226	568621864	/nfs/dbraw/zinc/62/18/64/568621864.db2.gz	XJMRRHAASRMPRE-JBCNATCCSA-N	-1	0	438.480	2.592	50	30		IFEARM
CC#CC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2C(=O)OC)C1	ZINC000014985650	568827945	/nfs/dbraw/zinc/82/79/45/568827945.db2.gz	WJCSKQONEARLCQ-UHFFFAOYSA-N	-1	0	446.550	2.860	50	30		IFEARM
C=CCn1c(SCC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)nc2ccccc2c1=O	ZINC000016050637	568829021	/nfs/dbraw/zinc/82/90/21/568829021.db2.gz	HGAYAAXXXCXMOM-UHFFFAOYSA-N	-1	0	439.493	2.698	50	30		IFEARM
C=CCCOc1cccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[n-]2)c1	ZINC000034765856	568867261	/nfs/dbraw/zinc/86/72/61/568867261.db2.gz	FPXLLAOXSWSSIA-UHFFFAOYSA-N	-1	0	425.533	2.734	50	30		IFEARM
C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000252679221	569210695	/nfs/dbraw/zinc/21/06/95/569210695.db2.gz	JQASNYDWCUYKKR-GUUPXXPBSA-N	-1	0	442.556	2.887	50	30		IFEARM
CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)s1	ZINC000328594139	569317641	/nfs/dbraw/zinc/31/76/41/569317641.db2.gz	UREQXHSPLJABSB-UHFFFAOYSA-N	-1	0	429.545	2.753	50	30		IFEARM
N#Cc1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1)CCCC2	ZINC000019853931	569330334	/nfs/dbraw/zinc/33/03/34/569330334.db2.gz	ZGZFWRGBZDOTKB-UHFFFAOYSA-N	-1	0	440.510	2.903	50	30		IFEARM
Cc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)n1	ZINC000096582306	569401772	/nfs/dbraw/zinc/40/17/72/569401772.db2.gz	VHJMVAXNWWYAFS-UHFFFAOYSA-N	-1	0	440.510	2.583	50	30		IFEARM
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)NCCCC(=O)[O-])c1	ZINC000008861637	569480024	/nfs/dbraw/zinc/48/00/24/569480024.db2.gz	KZGKTUIUKKKKJF-UHFFFAOYSA-N	-1	0	436.493	2.608	50	30		IFEARM
CCCCOc1ccc(C(=O)NCC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000009244740	569515150	/nfs/dbraw/zinc/51/51/50/569515150.db2.gz	HMKZOORVUDGLOQ-KRWDZBQOSA-N	-1	0	429.498	2.780	50	30		IFEARM
CC(=NNC(=N)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)c1ccc(F)cc1	ZINC000018046075	518462156	/nfs/dbraw/zinc/46/21/56/518462156.db2.gz	SFLCWIISXMJGPX-IMQYADFFSA-N	-1	0	428.445	2.838	50	30		IFEARM
COc1ccc(/C(C)=N/N=C2\NC(=O)C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000013424202	523360972	/nfs/dbraw/zinc/36/09/72/523360972.db2.gz	XWSXQOGLUSDLNB-KZKMUKRCSA-N	-1	0	440.481	2.734	50	30		IFEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc3C2=O)cc1	ZINC000012882038	523425652	/nfs/dbraw/zinc/42/56/52/523425652.db2.gz	ONCLHHWNHMTIME-BYHQVZLYSA-N	-1	0	425.437	2.916	50	30		IFEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)NCCCC(=O)[O-])ccc3C2=O)cc1OC	ZINC000008791002	523425855	/nfs/dbraw/zinc/42/58/55/523425855.db2.gz	LPCZRISXYATDOM-JAIQZWGSSA-N	-1	0	441.436	2.680	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C([O-])=N1	ZINC000071282033	524324719	/nfs/dbraw/zinc/32/47/19/524324719.db2.gz	UALHRZASEPKLPY-WPZNHYQYSA-N	-1	0	434.283	2.809	50	30		IFEARM
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c1	ZINC000032961691	524806503	/nfs/dbraw/zinc/80/65/03/524806503.db2.gz	CDPDKUXPVIGAGA-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
Cn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)c2ccccc21	ZINC000028182518	527145014	/nfs/dbraw/zinc/14/50/14/527145014.db2.gz	BOEYYCYEWGNRAH-UCQKPKSFSA-N	-1	0	433.508	2.610	50	30		IFEARM
O=[N+]([O-])c1cccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1[O-]	ZINC000036649465	527385002	/nfs/dbraw/zinc/38/50/02/527385002.db2.gz	OQFCDVGTIZAEDY-KGENOOAVSA-N	-1	0	426.481	2.912	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)cc1C	ZINC000032961676	556575464	/nfs/dbraw/zinc/57/54/64/556575464.db2.gz	KSCLQVSVLDUJPI-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000016115443	556583895	/nfs/dbraw/zinc/58/38/95/556583895.db2.gz	MNRAJDCWFGYKIC-KQFRHJRUSA-N	-1	0	431.445	2.810	50	30		IFEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)NC1=O	ZINC000016115718	556584133	/nfs/dbraw/zinc/58/41/33/556584133.db2.gz	OYIMHYGADNRFBL-SBUZPKSBSA-N	-1	0	431.857	2.955	50	30		IFEARM
Cc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	ZINC000101355076	557275376	/nfs/dbraw/zinc/27/53/76/557275376.db2.gz	BPOXWWVYJUVECI-STZFKDTASA-N	-1	0	444.509	2.588	50	30		IFEARM
CCC(=O)N(C)CCc1cc2c(c(OC)c1C=NNc1ccc(C(=O)[O-])cc1)OCO2	ZINC000009500251	562972299	/nfs/dbraw/zinc/97/22/99/562972299.db2.gz	QCPFFYRINUYKMS-FSJBWODESA-N	-1	0	427.457	2.979	50	30		IFEARM
CC(=O)O[C@@]1(C(=O)[O-])[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	ZINC000253537574	568643031	/nfs/dbraw/zinc/64/30/31/568643031.db2.gz	QCKUMXDGZMICSW-BMFWKVOHSA-N	-1	0	438.467	2.938	50	30		IFEARM
CC(=O)O[C@@]1(C(=O)[O-])[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	ZINC000253537575	568643126	/nfs/dbraw/zinc/64/31/26/568643126.db2.gz	QCKUMXDGZMICSW-DUISEVJWSA-N	-1	0	438.467	2.938	50	30		IFEARM
CC(=O)O[C@@]1(C(=O)[O-])[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C	ZINC000253537573	568643149	/nfs/dbraw/zinc/64/31/49/568643149.db2.gz	QCKUMXDGZMICSW-AHZGJEEISA-N	-1	0	438.467	2.938	50	30		IFEARM
COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Br)s2)c1	ZINC000083891314	568784649	/nfs/dbraw/zinc/78/46/49/568784649.db2.gz	LRFQVWKYWLGARH-UHFFFAOYSA-N	-1	0	434.289	2.756	50	30		IFEARM
O=C([O-])Cc1sc(NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)nc1O	ZINC000006974584	569114867	/nfs/dbraw/zinc/11/48/67/569114867.db2.gz	AVDMWSZZNFNBDK-LKKXKRCMSA-N	-1	0	431.857	2.955	50	30		IFEARM
O=[N+]([O-])c1cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)ccc1[O-]	ZINC000252636762	569208123	/nfs/dbraw/zinc/20/81/23/569208123.db2.gz	XMLLWWAAAKFNRA-UHFFFAOYSA-N	-1	0	426.481	2.912	50	30		IFEARM
Cc1c(Cl)cccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009293336	569520213	/nfs/dbraw/zinc/52/02/13/569520213.db2.gz	NNPQQVSEFMPGQF-SGOHWPKCSA-N	-1	0	430.935	2.505	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009487589	569539777	/nfs/dbraw/zinc/53/97/77/569539777.db2.gz	NRQXCCORXAWBTA-UULIHBGTSA-N	-1	0	437.852	2.874	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000009580788	569548874	/nfs/dbraw/zinc/54/88/74/569548874.db2.gz	FVYWXXREUUDIST-NOSOHGNZSA-N	-1	0	437.852	2.874	50	30		IFEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C1=O	ZINC000013656146	518838382	/nfs/dbraw/zinc/83/83/82/518838382.db2.gz	ZMQSPDHLQTTXEL-MOSHPQCFSA-N	-1	0	449.463	2.880	50	30		IFEARM
CCCCc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000012276991	521274523	/nfs/dbraw/zinc/27/45/23/521274523.db2.gz	LKOQVKSXEYLCFN-VCASGEJDSA-N	-1	0	438.571	2.886	50	30		IFEARM
CCOC(=O)c1cnn(CCC#N)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F	ZINC000170617439	521580837	/nfs/dbraw/zinc/58/08/37/521580837.db2.gz	GRJSFSFJHMRIDU-UHFFFAOYSA-N	-1	0	432.380	2.673	50	30		IFEARM
COc1ccc(/C=N\N=C2/S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1OC	ZINC000013151572	523458433	/nfs/dbraw/zinc/45/84/33/523458433.db2.gz	OVDZYPQEKHJBIV-GOFMHPDUSA-N	-1	0	429.454	2.723	50	30		IFEARM
COCCN(CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2	ZINC000020503822	523718781	/nfs/dbraw/zinc/71/87/81/523718781.db2.gz	LEPNUQHRSFBRGV-MTJSOVHGSA-N	-1	0	427.453	2.832	50	30		IFEARM
COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2CN2CCN(CCO)CC2)C1=O	ZINC000020533280	524317848	/nfs/dbraw/zinc/31/78/48/524317848.db2.gz	DGBDTVNISBOCDB-YUMLRZHGSA-N	-1	0	436.508	2.683	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2Br)c1=O	ZINC000100507725	527109742	/nfs/dbraw/zinc/10/97/42/527109742.db2.gz	SSQRIASXZHMHDP-XSFVSMFZSA-N	-1	0	447.274	2.615	50	30		IFEARM
O=[N+]([O-])c1cc(I)c([O-])c(CN=Nc2ncccc2[N+](=O)[O-])c1	ZINC000038178143	527338040	/nfs/dbraw/zinc/33/80/40/527338040.db2.gz	STVLENZRRNYRDO-GIDUJCDVSA-N	-1	0	429.130	2.654	50	30		IFEARM
O=C([O-])COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1	ZINC000008694763	527617078	/nfs/dbraw/zinc/61/70/78/527617078.db2.gz	KYJLRSBWJRTOGV-HZHRSRAPSA-N	-1	0	439.520	2.762	50	30		IFEARM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC#N	ZINC000009057112	556243210	/nfs/dbraw/zinc/24/32/10/556243210.db2.gz	HDZAXVFPSLGCEJ-WJDWOHSUSA-N	-1	0	425.441	2.958	50	30		IFEARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c1	ZINC000032961667	556575168	/nfs/dbraw/zinc/57/51/68/556575168.db2.gz	DHIWFIYXUQNXGL-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
CCCCc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000100937060	557202807	/nfs/dbraw/zinc/20/28/07/557202807.db2.gz	LKOQVKSXEYLCFN-XTPAXOCXSA-N	-1	0	438.571	2.886	50	30		IFEARM
COC(=O)c1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1	ZINC000100279877	557396987	/nfs/dbraw/zinc/39/69/87/557396987.db2.gz	DBCVKCXCUOSKHG-YFUCQSNDSA-N	-1	0	441.465	2.762	50	30		IFEARM
COc1ccc(/C=N/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1OC	ZINC000006142261	568845408	/nfs/dbraw/zinc/84/54/08/568845408.db2.gz	OVDZYPQEKHJBIV-QCLDNOJVSA-N	-1	0	429.454	2.723	50	30		IFEARM
N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccncc1)[C@@H]1OC(=O)c2ccccc21	ZINC000103011107	568891370	/nfs/dbraw/zinc/89/13/70/568891370.db2.gz	UOYBNSKBGIXVEJ-DENIHFKCSA-N	-1	0	425.400	2.872	50	30		IFEARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1C#N	ZINC000030840493	569449438	/nfs/dbraw/zinc/44/94/38/569449438.db2.gz	CZDOPTHGZSNHFF-CLFYSBASSA-N	-1	0	434.408	2.991	50	30		IFEARM
CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2C(=O)[O-])c(C#N)c1C	ZINC000008734409	569472530	/nfs/dbraw/zinc/47/25/30/569472530.db2.gz	OSEIURGCPKUVBS-UHFFFAOYSA-N	-1	0	429.454	2.562	50	30		IFEARM
COc1ccc(OC)c(/C=C2/Oc3cc(OCC(=O)NCCCC(=O)[O-])ccc3C2=O)c1	ZINC000008876777	569481150	/nfs/dbraw/zinc/48/11/50/569481150.db2.gz	MFLUWVDSQHKMBH-RGVLZGJSSA-N	-1	0	441.436	2.680	50	30		IFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008934874	569487953	/nfs/dbraw/zinc/48/79/53/569487953.db2.gz	WWQURKFEVQKVJS-FQEVSTJZSA-N	-1	0	441.436	2.765	50	30		IFEARM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000012342721	518321985	/nfs/dbraw/zinc/32/19/85/518321985.db2.gz	SAPDHGPNTSLGQO-XNTDXEJSSA-N	-1	0	425.784	2.927	50	30		IFEARM
CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000012557046	520750943	/nfs/dbraw/zinc/75/09/43/520750943.db2.gz	UQNUSYISLMGKTC-UHFFFAOYSA-N	-1	0	431.514	2.993	50	30		IFEARM
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102518499	522915801	/nfs/dbraw/zinc/91/58/01/522915801.db2.gz	HTYFEHCKEIHDCY-YDJIHCHBSA-N	-1	0	425.437	2.996	50	30		IFEARM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc(OC)c1OC	ZINC000035170744	522955244	/nfs/dbraw/zinc/95/52/44/522955244.db2.gz	LBGMDFSGRRMHKF-IBGZPJMESA-N	-1	0	441.436	2.765	50	30		IFEARM
COc1ccc(/C=N\N=C2/S[C@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1OC	ZINC000013658742	523457417	/nfs/dbraw/zinc/45/74/17/523457417.db2.gz	OVDZYPQEKHJBIV-WBILTGGHSA-N	-1	0	429.454	2.723	50	30		IFEARM
CN1C(=O)/C(=C2\SC(=S)N(/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)c2ccccc21	ZINC000038170118	523675070	/nfs/dbraw/zinc/67/50/70/523675070.db2.gz	LCLJIAZKZOLOPW-OCNRXDGOSA-N	-1	0	440.462	2.882	50	30		IFEARM
Cc1c(Cl)cccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009293335	525759045	/nfs/dbraw/zinc/75/90/45/525759045.db2.gz	NNPQQVSEFMPGQF-BAEHRGANSA-N	-1	0	430.935	2.505	50	30		IFEARM
C[C@@H](ON=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[O-]	ZINC000043833237	525916858	/nfs/dbraw/zinc/91/68/58/525916858.db2.gz	MQTMHRXULFJFOC-ZCFIWIBFSA-N	-1	0	447.272	2.542	50	30		IFEARM
C[C@H](ON=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[O-]	ZINC000043833232	525921168	/nfs/dbraw/zinc/92/11/68/525921168.db2.gz	MQTMHRXULFJFOC-LURJTMIESA-N	-1	0	447.272	2.542	50	30		IFEARM
NC(=S)N/N=C/c1c(Br)cc(Br)c([O-])c1Br	ZINC000003024047	555881513	/nfs/dbraw/zinc/88/15/13/555881513.db2.gz	RVDHYXBVIGEFMJ-XNJYKOPJSA-N	-1	0	431.935	2.847	50	30		IFEARM
C=CC/N=c1\sc(CC(=O)Nc2ccccc2)c([O-])n1S(=O)(=O)c1ccccc1	ZINC000002641678	556116584	/nfs/dbraw/zinc/11/65/84/556116584.db2.gz	ZROHULJGPCPVHR-UNEBPCJRSA-N	-1	0	429.523	2.890	50	30		IFEARM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1	ZINC000032961978	556579696	/nfs/dbraw/zinc/57/96/96/556579696.db2.gz	YCOJGDNFUUWEMI-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
Cc1ccc(S(=O)([O-])=NC(=O)N(CCCN2CCOCC2)Cc2ccccc2)cc1	ZINC000016749708	556636833	/nfs/dbraw/zinc/63/68/33/556636833.db2.gz	SGIPKNZGDKHGPA-UHFFFAOYSA-N	-1	0	431.558	2.822	50	30		IFEARM
N=C(NN=Cc1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000100698700	556650936	/nfs/dbraw/zinc/65/09/36/556650936.db2.gz	FQKXAAJPNBQEBV-WPZNHYQYSA-N	-1	0	430.873	2.962	50	30		IFEARM
CCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC000033007081	556655893	/nfs/dbraw/zinc/65/58/93/556655893.db2.gz	IQLKAOODZBSPNG-UHFFFAOYSA-N	-1	0	442.541	2.784	50	30		IFEARM
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])cc1	ZINC000033007023	556655907	/nfs/dbraw/zinc/65/59/07/556655907.db2.gz	DLMZDJLSPHBMSQ-UHFFFAOYSA-N	-1	0	442.541	2.784	50	30		IFEARM
C#Cc1cccc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)c1	ZINC000003146425	556847573	/nfs/dbraw/zinc/84/75/73/556847573.db2.gz	BAAAQQZQEKRQBA-UHFFFAOYSA-N	-1	0	431.425	3.000	50	30		IFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102886228	557409477	/nfs/dbraw/zinc/40/94/77/557409477.db2.gz	XJMRRHAASRMPRE-MRJHHRETSA-N	-1	0	438.480	2.592	50	30		IFEARM
Cc1c(Br)c(C)n([N-]C(=O)c2cnn(Cc3ccccc3)c2)c(=O)c1C#N	ZINC000408515218	557412252	/nfs/dbraw/zinc/41/22/52/557412252.db2.gz	HDBLIFLWYUFOFF-UHFFFAOYSA-N	-1	0	426.274	2.728	50	30		IFEARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100512392	557413300	/nfs/dbraw/zinc/41/33/00/557413300.db2.gz	VHDORIJRMYOPQR-HAVVHWLPSA-N	-1	0	440.510	2.648	50	30		IFEARM
C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)C1=O	ZINC000002986689	557685601	/nfs/dbraw/zinc/68/56/01/557685601.db2.gz	FISILEGSNUKOCC-AWNIVKPZSA-N	-1	0	426.244	2.591	50	30		IFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3cccn3C)C1=O)O2	ZINC000253407725	569265428	/nfs/dbraw/zinc/26/54/28/569265428.db2.gz	KCJLNEHUDIJCDY-JYFCICGUSA-N	-1	0	436.464	2.697	50	30		IFEARM
COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1	ZINC000078989426	569321468	/nfs/dbraw/zinc/32/14/68/569321468.db2.gz	UDCZLECSCZXPNR-UHFFFAOYSA-N	-1	0	434.405	2.816	50	30		IFEARM
NC(=O)c1ccc(N=Nc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)cc1	ZINC000004177596	569460683	/nfs/dbraw/zinc/46/06/83/569460683.db2.gz	ATPHRTREJXFJRM-QQTULTPQSA-N	-1	0	428.408	2.913	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl	ZINC000009488305	569539879	/nfs/dbraw/zinc/53/98/79/569539879.db2.gz	AGDXGPKEPIOBSG-ONYLCFQQSA-N	-1	0	448.751	2.618	50	30		IFEARM
CC(C)[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)[O-]	ZINC000008790512	519797206	/nfs/dbraw/zinc/79/72/06/519797206.db2.gz	TVRFXZSVWQNWGQ-HUHAETNCSA-N	-1	0	439.420	2.636	50	30		IFEARM
COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2CN2CCN(C)CC2)C1=O	ZINC000020517741	522817042	/nfs/dbraw/zinc/81/70/42/522817042.db2.gz	QDQQRPQNTCZMMO-UUYOSTAYSA-N	-1	0	440.496	2.782	50	30		IFEARM
COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)c(OC)c1OC	ZINC000020611247	523423096	/nfs/dbraw/zinc/42/30/96/523423096.db2.gz	KNUWKHZMKHXHJW-MOSHPQCFSA-N	-1	0	440.496	2.782	50	30		IFEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-])Nc1ccccc1OC(F)F	ZINC000071288321	527139927	/nfs/dbraw/zinc/13/99/27/527139927.db2.gz	NMSJBSYAASVBTR-WUJFOHIQSA-N	-1	0	435.818	2.748	50	30		IFEARM
O=S(=O)(N=C1CCCN1)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000095946766	527160301	/nfs/dbraw/zinc/16/03/01/527160301.db2.gz	CZVBJKDJUCSEAW-UHFFFAOYSA-N	-1	0	447.460	2.977	50	30		IFEARM
O=C(C[C@H]1N=C(NN=Cc2ccc(Cl)cc2)N=C1[O-])Nc1ccccc1OC(F)F	ZINC000071284553	527182114	/nfs/dbraw/zinc/18/21/14/527182114.db2.gz	JPJFWSZPOXEPPC-LOLZCCBGSA-N	-1	0	435.818	2.748	50	30		IFEARM
NS(=O)(=O)c1ccc(-c2ccc(C=NNc3nnc4c5ccccc5nc-4[n-]3)o2)cc1	ZINC000009291174	527305838	/nfs/dbraw/zinc/30/58/38/527305838.db2.gz	JDQBSXJZUQVLHM-SSDVNMTOSA-N	-1	0	433.453	2.860	50	30		IFEARM
[NH3+][C@@H](CCCNC(=NC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1)C(=O)[O-]	ZINC000015721406	527330169	/nfs/dbraw/zinc/33/01/69/527330169.db2.gz	YVEVTHZNIALJHD-SFHVURJKSA-N	-1	0	442.472	2.592	50	30		IFEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nc(C(C)C)ccc2C#N)cc1	ZINC000018198361	557250080	/nfs/dbraw/zinc/25/00/80/557250080.db2.gz	WHINKYKYNZDYKM-UHFFFAOYSA-N	-1	0	432.527	2.632	50	30		IFEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c2)C1=O	ZINC000000831536	557304321	/nfs/dbraw/zinc/30/43/21/557304321.db2.gz	HWXDSRNDPHCRNL-WJDWOHSUSA-N	-1	0	437.408	2.830	50	30		IFEARM
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102518492	557351044	/nfs/dbraw/zinc/35/10/44/557351044.db2.gz	HTYFEHCKEIHDCY-NHFXJNLRSA-N	-1	0	425.437	2.996	50	30		IFEARM
C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000002987599	557686561	/nfs/dbraw/zinc/68/65/61/557686561.db2.gz	LGRJAIHSIAFSQT-MDWZMJQESA-N	-1	0	440.271	2.981	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2C(F)(F)F)c1=O	ZINC000026580620	568886031	/nfs/dbraw/zinc/88/60/31/568886031.db2.gz	MZKFTSNYELQBDQ-OEAKJJBVSA-N	-1	0	436.375	2.872	50	30		IFEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253533401	569284071	/nfs/dbraw/zinc/28/40/71/569284071.db2.gz	JQASNYDWCUYKKR-DHOAVMNKSA-N	-1	0	442.556	2.887	50	30		IFEARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)s1	ZINC000225530180	569403588	/nfs/dbraw/zinc/40/35/88/569403588.db2.gz	MYDSZDRHSIDRQI-UHFFFAOYSA-N	-1	0	449.539	2.574	50	30		IFEARM
COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2)c1	ZINC000003251749	569442956	/nfs/dbraw/zinc/44/29/56/569442956.db2.gz	BUVGUZVOBDWUQA-UHFFFAOYSA-N	-1	0	434.448	2.925	50	30		IFEARM
COc1ccc(-c2nc(SCC(=O)NCCc3ccc(F)cc3)[n-]c(=O)c2C#N)cc1	ZINC000030587719	569444326	/nfs/dbraw/zinc/44/43/26/569444326.db2.gz	VFGJRMMBRNBXKE-UHFFFAOYSA-N	-1	0	438.484	2.907	50	30		IFEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc3C2=O)cc1	ZINC000008790353	569476029	/nfs/dbraw/zinc/47/60/29/569476029.db2.gz	ONCLHHWNHMTIME-LYFUXTGPSA-N	-1	0	425.437	2.916	50	30		IFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008934873	569487967	/nfs/dbraw/zinc/48/79/67/569487967.db2.gz	WWQURKFEVQKVJS-HXUWFJFHSA-N	-1	0	441.436	2.765	50	30		IFEARM
COc1ccc(C=CC(=O)c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)c(OC)c1	ZINC000009429547	569533719	/nfs/dbraw/zinc/53/37/19/569533719.db2.gz	ZOEANZGCEJBKMC-ONNFQVAWSA-N	-1	0	428.828	2.798	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl	ZINC000009488299	569539901	/nfs/dbraw/zinc/53/99/01/569539901.db2.gz	AGDXGPKEPIOBSG-ZHCQSXIZSA-N	-1	0	448.751	2.618	50	30		IFEARM
Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000009763697	569566658	/nfs/dbraw/zinc/56/66/58/569566658.db2.gz	KLQTYEOPVLBPCX-YBEGLDIGSA-N	-1	0	427.395	2.974	50	30		IFEARM
C#Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1	ZINC000012526041	518365974	/nfs/dbraw/zinc/36/59/74/518365974.db2.gz	JUYDWVPWVHZYMF-UHFFFAOYSA-N	-1	0	432.461	2.891	50	30		IFEARM
C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000002507302	518964432	/nfs/dbraw/zinc/96/44/32/518964432.db2.gz	YMFQHENAIYWSBK-KAMYIIQDSA-N	-1	0	444.538	2.667	50	30		IFEARM
CCOC(=O)C1=C(C)Nc2ccccc2NC1=NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000057735614	520506787	/nfs/dbraw/zinc/50/67/87/520506787.db2.gz	CJBIXDWTSLHELX-UHFFFAOYSA-N	-1	0	429.454	2.847	50	30		IFEARM
COc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)c(OC)c1OC	ZINC000020611150	523420841	/nfs/dbraw/zinc/42/08/41/523420841.db2.gz	RNTAGCVOPKQJTR-UNOMPAQXSA-N	-1	0	427.453	2.866	50	30		IFEARM
COCCN(CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2	ZINC000020503763	523717744	/nfs/dbraw/zinc/71/77/44/523717744.db2.gz	GFNXWEFDFZKTAM-STZFKDTASA-N	-1	0	441.480	2.890	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C([O-])=N1	ZINC000071283720	524323739	/nfs/dbraw/zinc/32/37/39/524323739.db2.gz	JNUVOMPLBXZGSJ-OWLNGIFZSA-N	-1	0	433.390	2.521	50	30		IFEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-]	ZINC000253498586	525355634	/nfs/dbraw/zinc/35/56/34/525355634.db2.gz	BISACJKFFWCVNW-NOERLYEASA-N	-1	0	436.570	2.607	50	30		IFEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc3C2=O)c1	ZINC000012881572	525767735	/nfs/dbraw/zinc/76/77/35/525767735.db2.gz	FZBUJGGPFCURQG-BYHQVZLYSA-N	-1	0	425.437	2.916	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000009451665	526442179	/nfs/dbraw/zinc/44/21/79/526442179.db2.gz	ZAZHEUGFCJDCFA-MMCXBBQTSA-N	-1	0	441.534	2.781	50	30		IFEARM
N=C(NN=Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000022611701	526825070	/nfs/dbraw/zinc/82/50/70/526825070.db2.gz	FQKXAAJPNBQEBV-GTQIFZCBSA-N	-1	0	430.873	2.962	50	30		IFEARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C([O-])=C(c1cnc2ccccc2n1)[N+](=O)[O-]	ZINC000104162263	527515420	/nfs/dbraw/zinc/51/54/20/527515420.db2.gz	PXRRFXRDEKIYIT-HNNXBMFYSA-N	-1	0	438.381	2.673	50	30		IFEARM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCC(=O)[O-]	ZINC000009113723	556247823	/nfs/dbraw/zinc/24/78/23/556247823.db2.gz	YKEXFSYUKXYRNE-NGYBGAFCSA-N	-1	0	425.195	2.670	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000032961675	556575143	/nfs/dbraw/zinc/57/51/43/556575143.db2.gz	CYLOFIAJYKQOED-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CCC#N)CC1	ZINC000032961973	556579720	/nfs/dbraw/zinc/57/97/20/556579720.db2.gz	UZNFOYXNTJSNPC-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1OC(=O)c1ccc(C)cc1	ZINC000016115025	556583635	/nfs/dbraw/zinc/58/36/35/556583635.db2.gz	WUQVMQWRDRRRSB-CBVHTYNASA-N	-1	0	441.465	2.619	50	30		IFEARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])c1	ZINC000033006975	556655900	/nfs/dbraw/zinc/65/59/00/556655900.db2.gz	BXZGLTVFSBWCFM-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
Nc1nc2n(n1)[C@H](c1ccc(OCC(=O)[O-])cc1)C1C(=O)C[C@H](c3cccs3)CC1=N2	ZINC000018199139	557250792	/nfs/dbraw/zinc/25/07/92/557250792.db2.gz	DMJTZNQESRYNQY-CWTRNNRKSA-N	-1	0	437.481	2.801	50	30		IFEARM
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000102928475	557410506	/nfs/dbraw/zinc/41/05/06/557410506.db2.gz	NXNDPKXQGDUIIB-SELCWUDQSA-N	-1	0	431.828	2.951	50	30		IFEARM
N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccncc1)[C@H]1OC(=O)c2ccccc21	ZINC000103011101	568891305	/nfs/dbraw/zinc/89/13/05/568891305.db2.gz	UOYBNSKBGIXVEJ-KNQAVFIVSA-N	-1	0	425.400	2.872	50	30		IFEARM
N#Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1	ZINC000065097431	569103838	/nfs/dbraw/zinc/10/38/38/569103838.db2.gz	YKJNMDDCAWXDHC-UHFFFAOYSA-N	-1	0	429.483	2.707	50	30		IFEARM
N#Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1Br	ZINC000253424886	569267012	/nfs/dbraw/zinc/26/70/12/569267012.db2.gz	LPKSXEUDNGNYGQ-SFHVURJKSA-N	-1	0	448.342	2.790	50	30		IFEARM
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CC(=O)[O-])c2=O)cc1OC	ZINC000217635184	569450669	/nfs/dbraw/zinc/45/06/69/569450669.db2.gz	VMVMULQHGQJZPO-MRXNPFEDSA-N	-1	0	445.468	2.605	50	30		IFEARM
C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)n(CC(=O)[O-])c2=O)cc1OC	ZINC000217635266	569450671	/nfs/dbraw/zinc/45/06/71/569450671.db2.gz	VMVMULQHGQJZPO-INIZCTEOSA-N	-1	0	445.468	2.605	50	30		IFEARM
COc1cccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NCC(=O)[O-])n2)c1	ZINC000008382614	569462666	/nfs/dbraw/zinc/46/26/66/569462666.db2.gz	PPSDBOIIBYIVSE-UHFFFAOYSA-N	-1	0	425.388	2.941	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)n1	ZINC000009254073	569516306	/nfs/dbraw/zinc/51/63/06/569516306.db2.gz	IENPNDVKZMUTNI-HNNXBMFYSA-N	-1	0	428.466	2.995	50	30		IFEARM
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009429555	569533741	/nfs/dbraw/zinc/53/37/41/569533741.db2.gz	LEWICOHIROBBTQ-VTNFTYBJSA-N	-1	0	438.571	2.668	50	30		IFEARM
C=CCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OC)c(OC)c3)N(c3ccccc3)N2)C1=O	ZINC000009488240	569539877	/nfs/dbraw/zinc/53/98/77/569539877.db2.gz	LMWVMYFKPSBHDE-HGBKYHTQSA-N	-1	0	448.479	2.678	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1	ZINC000009591077	569550100	/nfs/dbraw/zinc/55/01/00/569550100.db2.gz	MJUAZFJUVBZUOW-PXAZEXFGSA-N	-1	0	435.452	2.904	50	30		IFEARM
CCCCc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000012276990	521273541	/nfs/dbraw/zinc/27/35/41/521273541.db2.gz	LKOQVKSXEYLCFN-ABUFQMGBSA-N	-1	0	438.571	2.886	50	30		IFEARM
COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2CN2CCOCC2)C1=O	ZINC000020611535	522816648	/nfs/dbraw/zinc/81/66/48/522816648.db2.gz	LXDKQMKCQJJULM-NHDPSOOVSA-N	-1	0	427.453	2.866	50	30		IFEARM
COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000252627933	523805412	/nfs/dbraw/zinc/80/54/12/523805412.db2.gz	SEHAYQWOTDLDTJ-QGZVFWFLSA-N	-1	0	427.482	2.992	50	30		IFEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1C	ZINC000057531091	525484572	/nfs/dbraw/zinc/48/45/72/525484572.db2.gz	XHTDCWKKCCRAIV-UHFFFAOYSA-N	-1	0	430.935	2.901	50	30		IFEARM
Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)[N-]N(c2cccc(F)c2)C1=O	ZINC000012372233	525533878	/nfs/dbraw/zinc/53/38/78/525533878.db2.gz	QNYCKDWLAXJHIM-MHWRWJLKSA-N	-1	0	427.395	2.974	50	30		IFEARM
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C([O-])=C(c1cnc2ccccc2n1)[N+](=O)[O-]	ZINC000104162268	527515592	/nfs/dbraw/zinc/51/55/92/527515592.db2.gz	PXRRFXRDEKIYIT-OAHLLOKOSA-N	-1	0	438.381	2.673	50	30		IFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OCc1ccccc1F	ZINC000006624958	556098897	/nfs/dbraw/zinc/09/88/97/556098897.db2.gz	IBGJDGFLRISYQM-MMXTWKRJSA-N	-1	0	431.445	2.810	50	30		IFEARM
N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000032961684	556575453	/nfs/dbraw/zinc/57/54/53/556575453.db2.gz	KEDRFMYCQADXBF-UHFFFAOYSA-N	-1	0	448.932	2.875	50	30		IFEARM
COCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000252627932	556692857	/nfs/dbraw/zinc/69/28/57/556692857.db2.gz	SEHAYQWOTDLDTJ-KRWDZBQOSA-N	-1	0	427.482	2.992	50	30		IFEARM
CCOC(=O)c1c2c(sc1NC([O-])=NS(=O)(=O)c1ccc(C)cc1)CN(C)CC2	ZINC000019834801	556927660	/nfs/dbraw/zinc/92/76/60/556927660.db2.gz	WMXPDBLPIOAGFY-UHFFFAOYSA-N	-1	0	437.543	2.936	50	30		IFEARM
COCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000018142106	557242776	/nfs/dbraw/zinc/24/27/76/557242776.db2.gz	SEHAYQWOTDLDTJ-JHGXHUTESA-N	-1	0	427.482	2.992	50	30		IFEARM
C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc1OC	ZINC000032099567	568780555	/nfs/dbraw/zinc/78/05/55/568780555.db2.gz	BEHFJFJCCYEFCN-YBEGLDIGSA-N	-1	0	427.254	2.931	50	30		IFEARM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CCc2c(C)nc3ncnn3c2C)c1	ZINC000084019421	568789766	/nfs/dbraw/zinc/78/97/66/568789766.db2.gz	JEGNXMRQOYBRNJ-UHFFFAOYSA-N	-1	0	435.893	2.875	50	30		IFEARM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000009012342	569496560	/nfs/dbraw/zinc/49/65/60/569496560.db2.gz	QUFNSMQBOQLMJS-YDJIHCHBSA-N	-1	0	425.437	2.990	50	30		IFEARM
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009429548	569533698	/nfs/dbraw/zinc/53/36/98/569533698.db2.gz	LEWICOHIROBBTQ-XOVGQFALSA-N	-1	0	438.571	2.668	50	30		IFEARM
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009429550	569533742	/nfs/dbraw/zinc/53/37/42/569533742.db2.gz	LEWICOHIROBBTQ-ICZFLMCXSA-N	-1	0	438.571	2.668	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009487591	569539800	/nfs/dbraw/zinc/53/98/00/569539800.db2.gz	NRQXCCORXAWBTA-NOSOHGNZSA-N	-1	0	437.852	2.874	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000009580479	569548832	/nfs/dbraw/zinc/54/88/32/569548832.db2.gz	KQKCHKUQKBXKAB-FWRKBDRZSA-N	-1	0	427.507	2.994	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009580640	569548841	/nfs/dbraw/zinc/54/88/41/569548841.db2.gz	NRQXCCORXAWBTA-KEBPIHCLSA-N	-1	0	437.852	2.874	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000009580791	569548886	/nfs/dbraw/zinc/54/88/86/569548886.db2.gz	FVYWXXREUUDIST-KEBPIHCLSA-N	-1	0	437.852	2.874	50	30		IFEARM
COC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1	ZINC000012631887	521940080	/nfs/dbraw/zinc/94/00/80/521940080.db2.gz	DBCVKCXCUOSKHG-FRKCRFBYSA-N	-1	0	441.465	2.762	50	30		IFEARM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])cc(OC)c1OC	ZINC000035170743	522917563	/nfs/dbraw/zinc/91/75/63/522917563.db2.gz	LBGMDFSGRRMHKF-LJQANCHMSA-N	-1	0	441.436	2.765	50	30		IFEARM
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\S/C(=N/CC(=O)[O-])NC1=O	ZINC000012580397	525241723	/nfs/dbraw/zinc/24/17/23/525241723.db2.gz	OHVRQCURVMHGBC-YVLHZVERSA-N	-1	0	425.466	2.657	50	30		IFEARM
Cn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)c2ccccc21	ZINC000020647490	527144961	/nfs/dbraw/zinc/14/49/61/527144961.db2.gz	BOEYYCYEWGNRAH-OEAKJJBVSA-N	-1	0	433.508	2.610	50	30		IFEARM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1	ZINC000036489941	527370109	/nfs/dbraw/zinc/37/01/09/527370109.db2.gz	JVZHJRXOJQQTGU-KGENOOAVSA-N	-1	0	426.481	2.912	50	30		IFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1OCc1ccccc1F	ZINC000016115753	556584158	/nfs/dbraw/zinc/58/41/58/556584158.db2.gz	IBGJDGFLRISYQM-KQFRHJRUSA-N	-1	0	431.445	2.810	50	30		IFEARM
CCCCc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000011907333	556671834	/nfs/dbraw/zinc/67/18/34/556671834.db2.gz	LKOQVKSXEYLCFN-DKYWCIHHSA-N	-1	0	438.571	2.886	50	30		IFEARM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H](c2ccccn2)N1	ZINC000100326824	557257759	/nfs/dbraw/zinc/25/77/59/557257759.db2.gz	ZRFQVLCSKNLVJP-SBHAEUEKSA-N	-1	0	435.439	2.865	50	30		IFEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)cc1OC	ZINC000034767474	568867234	/nfs/dbraw/zinc/86/72/34/568867234.db2.gz	CUIJLXBZURXRTB-UHFFFAOYSA-N	-1	0	435.484	2.852	50	30		IFEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCCc2ccc(OC)cc2)c1=O	ZINC000170624610	569148129	/nfs/dbraw/zinc/14/81/29/569148129.db2.gz	XADLXHURPWXPRA-UHFFFAOYSA-N	-1	0	438.480	2.891	50	30		IFEARM
COc1ccc(-c2nc(SCC(=O)NCc3cccc(OC)c3)[n-]c(=O)c2C#N)cc1	ZINC000031610363	569456882	/nfs/dbraw/zinc/45/68/82/569456882.db2.gz	NAAPIFQJKWKYCF-UHFFFAOYSA-N	-1	0	436.493	2.734	50	30		IFEARM
Cc1c(Cl)cccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009293338	569520232	/nfs/dbraw/zinc/52/02/32/569520232.db2.gz	NNPQQVSEFMPGQF-NFPAXOPASA-N	-1	0	430.935	2.505	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000009580789	569548861	/nfs/dbraw/zinc/54/88/61/569548861.db2.gz	FVYWXXREUUDIST-ZNEFHUSISA-N	-1	0	437.852	2.874	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1	ZINC000009591069	569550148	/nfs/dbraw/zinc/55/01/48/569550148.db2.gz	MJUAZFJUVBZUOW-SJKOYZFVSA-N	-1	0	435.452	2.904	50	30		IFEARM
COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2C)cc1	ZINC000009850784	569571364	/nfs/dbraw/zinc/57/13/64/569571364.db2.gz	VQAWEUQEDDFNJK-DLTPIXJPSA-N	-1	0	441.465	2.762	50	30		IFEARM
CCOC(=O)C1=C(C)Nc2ccccc2NC1=NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000057735692	520506853	/nfs/dbraw/zinc/50/68/53/520506853.db2.gz	BPZQPNIPXMRYDS-UHFFFAOYSA-N	-1	0	447.444	2.986	50	30		IFEARM
COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2C)cc1	ZINC000012631885	521939595	/nfs/dbraw/zinc/93/95/95/521939595.db2.gz	DBCVKCXCUOSKHG-DLTPIXJPSA-N	-1	0	441.465	2.762	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C([O-])=N1	ZINC000071283719	524325065	/nfs/dbraw/zinc/32/50/65/524325065.db2.gz	JNUVOMPLBXZGSJ-SWKNLOBNSA-N	-1	0	433.390	2.521	50	30		IFEARM
N=C(NN=Cc1ccccc1Cl)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000102104345	526825499	/nfs/dbraw/zinc/82/54/99/526825499.db2.gz	FFXAMWIZRMZYJO-WPZNHYQYSA-N	-1	0	430.873	2.962	50	30		IFEARM
NC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100005701	527056102	/nfs/dbraw/zinc/05/61/02/527056102.db2.gz	HOVXDYFTEJJTMB-LKUDQCMESA-N	-1	0	428.408	2.913	50	30		IFEARM
O=C1Nc2ccccc2/C1=C1/SC(=S)N(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000038183047	527091003	/nfs/dbraw/zinc/09/10/03/527091003.db2.gz	CPLHTHHLCGNPLL-GISUXGMCSA-N	-1	0	426.435	2.858	50	30		IFEARM
O=S(=O)(N=C1CCCN1)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1	ZINC000095946767	527161041	/nfs/dbraw/zinc/16/10/41/527161041.db2.gz	YAFVKISRIFFYIU-UHFFFAOYSA-N	-1	0	447.460	2.977	50	30		IFEARM
O=S(=O)(N=C1CCCCCN1)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000013040785	527161515	/nfs/dbraw/zinc/16/15/15/527161515.db2.gz	CSCFOLZMWBSWMP-UHFFFAOYSA-N	-1	0	425.507	2.877	50	30		IFEARM
O=C(C=Cc1cc([N+](=O)[O-])cc2c1OCOC2)[N-]S(=O)(=O)c1ccc(Cl)nc1	ZINC000040129829	527325208	/nfs/dbraw/zinc/32/52/08/527325208.db2.gz	YUFTUPGPWTXYEK-DAFODLJHSA-N	-1	0	425.806	2.868	50	30		IFEARM
Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c1	ZINC000032961695	556575408	/nfs/dbraw/zinc/57/54/08/556575408.db2.gz	JLWYVVLSTYVXEZ-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)c(C(=O)[O-])c1	ZINC000032961683	556575508	/nfs/dbraw/zinc/57/55/08/556575508.db2.gz	OIHJDWWMFITMFF-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c(C)c1	ZINC000032961965	556579365	/nfs/dbraw/zinc/57/93/65/556579365.db2.gz	KCCITEWOEUWPMK-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)NC1=O	ZINC000016115788	556584095	/nfs/dbraw/zinc/58/40/95/556584095.db2.gz	UUEKTCUWKIHLJL-LKKXKRCMSA-N	-1	0	431.857	2.955	50	30		IFEARM
COCCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(C(=O)[O-])cc1	ZINC000017028516	556653556	/nfs/dbraw/zinc/65/35/56/556653556.db2.gz	XCQAJUFCLAZKKA-INIZCTEOSA-N	-1	0	445.431	2.929	50	30		IFEARM
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc2c(c1)OCO2	ZINC000008445765	557276313	/nfs/dbraw/zinc/27/63/13/557276313.db2.gz	QYRPXRHAIRCBBG-HZSHHLKBSA-N	-1	0	427.438	2.704	50	30		IFEARM
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000027571698	563044440	/nfs/dbraw/zinc/04/44/40/563044440.db2.gz	SEIMYBCYAWBSIU-IBGZPJMESA-N	-1	0	429.400	2.983	50	30		IFEARM
Cn1[n-]c(=O)c(N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)C(F)(F)F	ZINC000003767525	568754474	/nfs/dbraw/zinc/75/44/74/568754474.db2.gz	BYRWLPWTBGQHKE-FSQXMKBWSA-N	-1	0	449.233	2.956	50	30		IFEARM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1O	ZINC000001462487	568833830	/nfs/dbraw/zinc/83/38/30/568833830.db2.gz	DBIRETKICZWEQF-CXUHLZMHSA-N	-1	0	436.420	2.915	50	30		IFEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1OC	ZINC000034767452	568867243	/nfs/dbraw/zinc/86/72/43/568867243.db2.gz	RKQBGRBJWDXTBC-UHFFFAOYSA-N	-1	0	449.511	2.894	50	30		IFEARM
NC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000252460705	569184580	/nfs/dbraw/zinc/18/45/80/569184580.db2.gz	HOVXDYFTEJJTMB-UHFFFAOYSA-N	-1	0	428.408	2.913	50	30		IFEARM
COC(=O)c1ccc(N=C2S[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2C)cc1	ZINC000252632189	569204830	/nfs/dbraw/zinc/20/48/30/569204830.db2.gz	VQAWEUQEDDFNJK-MRXNPFEDSA-N	-1	0	441.465	2.762	50	30		IFEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253533404	569284073	/nfs/dbraw/zinc/28/40/73/569284073.db2.gz	JQASNYDWCUYKKR-ZDJVESKFSA-N	-1	0	442.556	2.887	50	30		IFEARM
N#Cc1c(=O)[n-]c(SCC(=O)OCN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1	ZINC000002758251	569420259	/nfs/dbraw/zinc/42/02/59/569420259.db2.gz	ZGDZONQNXRMWSM-UHFFFAOYSA-N	-1	0	446.444	2.610	50	30		IFEARM
O=[N+]([O-])c1nn(Cc2ccc(C=Nn3c(C(F)F)n[n-]c3=S)o2)cc1Br	ZINC000002789557	569421410	/nfs/dbraw/zinc/42/14/10/569421410.db2.gz	NPRDPFZIISXSCS-HQYXKAPLSA-N	-1	0	448.209	2.895	50	30		IFEARM
CCCCOc1ccc(C(=O)NCC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000009244739	569515175	/nfs/dbraw/zinc/51/51/75/569515175.db2.gz	HMKZOORVUDGLOQ-QGZVFWFLSA-N	-1	0	429.498	2.780	50	30		IFEARM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(CC=C)C2=O)cc1OCC	ZINC000009310684	569521805	/nfs/dbraw/zinc/52/18/05/569521805.db2.gz	IFUOQTCRNLOLNI-LCYFTJDESA-N	-1	0	433.258	2.508	50	30		IFEARM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1	ZINC000009356454	569525434	/nfs/dbraw/zinc/52/54/34/569525434.db2.gz	QNXPYFBGGIGVFY-UHFFFAOYSA-N	-1	0	443.525	2.648	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl	ZINC000009488301	569539888	/nfs/dbraw/zinc/53/98/88/569539888.db2.gz	AGDXGPKEPIOBSG-RRPDAFEBSA-N	-1	0	448.751	2.618	50	30		IFEARM
COc1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCOCC3)C2=O)cc(OC)c1OC	ZINC000009517218	569543568	/nfs/dbraw/zinc/54/35/68/569543568.db2.gz	KEZQTKCHTNMRQY-ZDLGFXPLSA-N	-1	0	427.453	2.866	50	30		IFEARM
CN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1ccc2c(c1)OCO2	ZINC000009850612	569571384	/nfs/dbraw/zinc/57/13/84/569571384.db2.gz	UMKYCUOAYXBDLT-BLRPHQBRSA-N	-1	0	427.438	2.704	50	30		IFEARM
CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C#N)c1C	ZINC000006547842	132277583	/nfs/dbraw/zinc/27/75/83/132277583.db2.gz	GGELWFMWGWAPNJ-GDNBJRDFSA-N	-1	0	438.465	2.992	50	30		IFEARM
COc1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(C)CC3)C2=O)cc(OC)c1OC	ZINC000020624440	521968033	/nfs/dbraw/zinc/96/80/33/521968033.db2.gz	XANKOWIKDOOSNF-ODLFYWEKSA-N	-1	0	440.496	2.782	50	30		IFEARM
COc1ccc(Cc2n[n-]c(N/N=C/c3ccc(Br)cc3)nc2=O)cc1OC	ZINC000013638722	524160819	/nfs/dbraw/zinc/16/08/19/524160819.db2.gz	PLGVUVLEIQUTQE-SRZZPIQSSA-N	-1	0	444.289	2.981	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(Br)cc2)c1=O	ZINC000013573790	527109626	/nfs/dbraw/zinc/10/96/26/527109626.db2.gz	SOHNMPDKOROAQA-ZHZULCJRSA-N	-1	0	447.274	2.615	50	30		IFEARM
C=CCOc1ccc(-c2nnc(CCC(=O)N3CCC(C(=O)OCC)CC3)c(=O)[n-]2)cc1	ZINC000034762803	555904307	/nfs/dbraw/zinc/90/43/07/555904307.db2.gz	YNSSEPNBKHJRRG-UHFFFAOYSA-N	-1	0	440.500	2.543	50	30		IFEARM
C=CCOc1ccc(-c2nnc(CCC(=O)NCCc3ccccn3)c(=O)[n-]2)cc1OC	ZINC000034766199	555906334	/nfs/dbraw/zinc/90/63/34/555906334.db2.gz	HZTYYVYEXKUHEN-UHFFFAOYSA-N	-1	0	435.484	2.504	50	30		IFEARM
COc1cc(C=NNc2nc(O)c(CC(=O)[O-])s2)ccc1OCc1ccc(C)cc1	ZINC000006798250	556104566	/nfs/dbraw/zinc/10/45/66/556104566.db2.gz	KJMAMIQWUQSKNA-QPHXDFOYSA-N	-1	0	427.482	2.979	50	30		IFEARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c(C(=O)C=Cc3cc(OC)ccc3OC)c2=O)cc1	ZINC000013540780	556513530	/nfs/dbraw/zinc/51/35/30/556513530.db2.gz	AAOSMDQXWOKVBX-VZUCSPMQSA-N	-1	0	438.436	2.543	50	30		IFEARM
COCCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1	ZINC000017028517	556653548	/nfs/dbraw/zinc/65/35/48/556653548.db2.gz	XCQAJUFCLAZKKA-MRXNPFEDSA-N	-1	0	445.431	2.929	50	30		IFEARM
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019633679	556833798	/nfs/dbraw/zinc/83/37/98/556833798.db2.gz	MPJWAENIKSSUAQ-HXUWFJFHSA-N	-1	0	441.484	2.763	50	30		IFEARM
C=CCN1C(=O)N/C(=C/c2cc(Br)c([O-])c(I)c2)C1=O	ZINC000009323847	568818685	/nfs/dbraw/zinc/81/86/85/568818685.db2.gz	JOHIZTQWAPWOQR-UXBLZVDNSA-N	-1	0	449.042	2.838	50	30		IFEARM
N#Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1	ZINC000065098830	569104417	/nfs/dbraw/zinc/10/44/17/569104417.db2.gz	VXPBOAPHCIXBIX-UHFFFAOYSA-N	-1	0	429.483	2.707	50	30		IFEARM
COc1ccc(C(C)=NNC(=N)S[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000252640938	569209344	/nfs/dbraw/zinc/20/93/44/569209344.db2.gz	YYFGROYZLUQKKX-QGZVFWFLSA-N	-1	0	440.481	2.707	50	30		IFEARM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009108692	569501929	/nfs/dbraw/zinc/50/19/29/569501929.db2.gz	HPATULBCWHYNJC-GOSISDBHSA-N	-1	0	426.381	2.656	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000009580478	569548813	/nfs/dbraw/zinc/54/88/13/569548813.db2.gz	KQKCHKUQKBXKAB-XCJAOTHZSA-N	-1	0	427.507	2.994	50	30		IFEARM
C=CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)[O-])C2=O)c2cc(Br)ccc21	ZINC000012343760	518830844	/nfs/dbraw/zinc/83/08/44/518830844.db2.gz	OBNZDWAVFQVBBO-SEYXRHQNSA-N	-1	0	439.312	2.638	50	30		IFEARM
CCOC(=O)N=S(=O)([O-])c1ccc(CCNC(=O)c2cc(OC)ccc2Cl)cc1	ZINC000051330306	520389700	/nfs/dbraw/zinc/38/97/00/520389700.db2.gz	QYMZMWFDTWVZFQ-UHFFFAOYSA-N	-1	0	440.905	2.960	50	30		IFEARM
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009109992	520874468	/nfs/dbraw/zinc/87/44/68/520874468.db2.gz	HPATULBCWHYNJC-SFHVURJKSA-N	-1	0	426.381	2.656	50	30		IFEARM
COC(=O)c1scc(S(=O)(=O)C(C)C)c1[N-]N=C(C#N)C(=O)c1cccs1	ZINC000002148411	522438361	/nfs/dbraw/zinc/43/83/61/522438361.db2.gz	ZQMYZKXIDBGHRD-VCHYOVAHSA-N	-1	0	425.513	2.953	50	30		IFEARM
COc1ccc(/C=C2/Oc3cc(OCC(=O)NCCCC(=O)[O-])ccc3C2=O)c(OC)c1	ZINC000012890077	523411340	/nfs/dbraw/zinc/41/13/40/523411340.db2.gz	KWCJZEGJNAKJHU-KEBDBYFISA-N	-1	0	441.436	2.680	50	30		IFEARM
O=C([O-])c1cc(/C=N\c2ccc3c(c2)OCCOCCOCCOCCO3)ccc1O	ZINC000020615579	526342870	/nfs/dbraw/zinc/34/28/70/526342870.db2.gz	VAXDIASAJRNQEL-HAHDFKILSA-N	-1	0	431.441	2.662	50	30		IFEARM
N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1	ZINC000033006928	526460784	/nfs/dbraw/zinc/46/07/84/526460784.db2.gz	ULDMZYKHYRGQMH-UHFFFAOYSA-N	-1	0	448.932	2.875	50	30		IFEARM
N=C(NN=Cc1ccnc2ccccc12)S[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000095398232	526825125	/nfs/dbraw/zinc/82/51/25/526825125.db2.gz	PYOFBVIVYWUAKH-SAMQYFKISA-N	-1	0	447.476	2.857	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2Br)c1=O	ZINC000001958908	527110218	/nfs/dbraw/zinc/11/02/18/527110218.db2.gz	SSQRIASXZHMHDP-ZHZULCJRSA-N	-1	0	447.274	2.615	50	30		IFEARM
O=C(C[C@@H]1N=C(NN=Cc2ccc(Cl)cc2)N=C1[O-])Nc1ccccc1OC(F)F	ZINC000071284554	527139933	/nfs/dbraw/zinc/13/99/33/527139933.db2.gz	JPJFWSZPOXEPPC-WUJFOHIQSA-N	-1	0	435.818	2.748	50	30		IFEARM
O=[N+]([O-])c1cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)ccc1[O-]	ZINC000036026122	527326785	/nfs/dbraw/zinc/32/67/85/527326785.db2.gz	XMLLWWAAAKFNRA-KGENOOAVSA-N	-1	0	426.481	2.912	50	30		IFEARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)CC(C)(C)CC3=O)cc2)n1	ZINC000000672230	555532003	/nfs/dbraw/zinc/53/20/03/555532003.db2.gz	BREZAQZRPGFTCW-UHFFFAOYSA-N	-1	0	429.502	2.620	50	30		IFEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)NC1=O	ZINC000016115270	556583583	/nfs/dbraw/zinc/58/35/83/556583583.db2.gz	AVDMWSZZNFNBDK-SBUZPKSBSA-N	-1	0	431.857	2.955	50	30		IFEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)NC1=O	ZINC000016115716	556584064	/nfs/dbraw/zinc/58/40/64/556584064.db2.gz	OYIMHYGADNRFBL-LKKXKRCMSA-N	-1	0	431.857	2.955	50	30		IFEARM
C=CCn1c(=O)c2ccc(C(=O)Nn3cnc4sc(CC)cc4c3=O)cc2[n-]c1=S	ZINC000017244752	557044083	/nfs/dbraw/zinc/04/40/83/557044083.db2.gz	CCRPGATWLLYMTM-UHFFFAOYSA-N	-1	0	439.522	2.963	50	30		IFEARM
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(=O)[O-])c1	ZINC000014244238	557327725	/nfs/dbraw/zinc/32/77/25/557327725.db2.gz	HFOHPJIMUURZDP-NRFANRHFSA-N	-1	0	446.463	2.660	50	30		IFEARM
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(=O)[O-])c1	ZINC000014244237	557328094	/nfs/dbraw/zinc/32/80/94/557328094.db2.gz	HFOHPJIMUURZDP-OAQYLSRUSA-N	-1	0	446.463	2.660	50	30		IFEARM
CCCCOC(=O)c1ccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)cc1	ZINC000102816415	557393424	/nfs/dbraw/zinc/39/34/24/557393424.db2.gz	NEVMRHIRTZUWAB-ZVHZXABRSA-N	-1	0	437.452	2.948	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccc(I)cc2)c1=O	ZINC000100512314	557412742	/nfs/dbraw/zinc/41/27/42/557412742.db2.gz	NMOBMVMDCLWEEF-XSFVSMFZSA-N	-1	0	449.277	2.549	50	30		IFEARM
CCOc1nc(NC(=O)[N-]S(=O)(=O)Oc2cccc(F)c2)nc(-c2ccccc2)n1	ZINC000003624802	562936913	/nfs/dbraw/zinc/93/69/13/562936913.db2.gz	GLUPZYJXSOJFOK-UHFFFAOYSA-N	-1	0	433.421	2.535	50	30		IFEARM
Cc1c(-n2cc(C(=O)c3cc(C)ccc3[O-])cc(C#N)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000008686094	562962725	/nfs/dbraw/zinc/96/27/25/562962725.db2.gz	RKMDRQXLVCSTBC-UHFFFAOYSA-N	-1	0	440.459	2.752	50	30		IFEARM
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012541751	568744039	/nfs/dbraw/zinc/74/40/39/568744039.db2.gz	DWRRDNQYFMPEGT-UHFFFAOYSA-N	-1	0	444.494	2.842	50	30		IFEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C1=O	ZINC000033545145	568866619	/nfs/dbraw/zinc/86/66/19/568866619.db2.gz	ABZUWVHBMIXIBM-PDGQHHTCSA-N	-1	0	449.463	2.669	50	30		IFEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(Br)c2)c(C(F)(F)F)c1	ZINC000089768258	569162564	/nfs/dbraw/zinc/16/25/64/569162564.db2.gz	NMTNUYVLZBPTCV-UHFFFAOYSA-N	-1	0	434.193	2.853	50	30		IFEARM
Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4[n-]c(=O)c(C#N)cc4C3)cc2)c1	ZINC000225681710	569406984	/nfs/dbraw/zinc/40/69/84/569406984.db2.gz	MXMPHCANEQNZKF-UHFFFAOYSA-N	-1	0	448.504	2.554	50	30		IFEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc3C2=O)c1	ZINC000008790378	569476063	/nfs/dbraw/zinc/47/60/63/569476063.db2.gz	FZBUJGGPFCURQG-LYFUXTGPSA-N	-1	0	425.437	2.916	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)n1	ZINC000009254076	569516327	/nfs/dbraw/zinc/51/63/27/569516327.db2.gz	IENPNDVKZMUTNI-OAHLLOKOSA-N	-1	0	428.466	2.995	50	30		IFEARM
C#CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000009295577	569520356	/nfs/dbraw/zinc/52/03/56/569520356.db2.gz	TVRBOPLSBMPTRZ-AATRIKPKSA-N	-1	0	436.218	2.727	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000009452473	569536520	/nfs/dbraw/zinc/53/65/20/569536520.db2.gz	KQKCHKUQKBXKAB-BZHIBMDNSA-N	-1	0	427.507	2.994	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000009488381	569539910	/nfs/dbraw/zinc/53/99/10/569539910.db2.gz	FVYWXXREUUDIST-UULIHBGTSA-N	-1	0	437.852	2.874	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl	ZINC000009488303	569539929	/nfs/dbraw/zinc/53/99/29/569539929.db2.gz	AGDXGPKEPIOBSG-GERDJBSHSA-N	-1	0	448.751	2.618	50	30		IFEARM
C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000002988442	518264621	/nfs/dbraw/zinc/26/46/21/518264621.db2.gz	BZJWCGWVYORATK-KPKJPENVSA-N	-1	0	426.244	2.591	50	30		IFEARM
C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253533403	518351932	/nfs/dbraw/zinc/35/19/32/518351932.db2.gz	JQASNYDWCUYKKR-XQQFTIAHSA-N	-1	0	442.556	2.887	50	30		IFEARM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCN2Cc2ccccc2)c1	ZINC000095461495	525273122	/nfs/dbraw/zinc/27/31/22/525273122.db2.gz	KJAHNADOBQYPNR-IBGZPJMESA-N	-1	0	436.555	2.790	50	30		IFEARM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCN2Cc2ccccc2)c1	ZINC000095461496	525273885	/nfs/dbraw/zinc/27/38/85/525273885.db2.gz	KJAHNADOBQYPNR-LJQANCHMSA-N	-1	0	436.555	2.790	50	30		IFEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-])Nc1ccccc1OC(F)F	ZINC000071288318	527181825	/nfs/dbraw/zinc/18/18/25/527181825.db2.gz	NMSJBSYAASVBTR-LOLZCCBGSA-N	-1	0	435.818	2.748	50	30		IFEARM
Nc1nc2n(n1)[C@@H](c1ccc(OCC(=O)[O-])cc1)C1C(=O)C[C@@H](c3cccs3)CC1=N2	ZINC000018199137	527562729	/nfs/dbraw/zinc/56/27/29/527562729.db2.gz	DMJTZNQESRYNQY-BUXKBTBVSA-N	-1	0	437.481	2.801	50	30		IFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000006624830	556098804	/nfs/dbraw/zinc/09/88/04/556098804.db2.gz	MNRAJDCWFGYKIC-MMXTWKRJSA-N	-1	0	431.445	2.810	50	30		IFEARM
COc1ccc(-c2nc(SCC(=O)NCCc3cccs3)[n-]c(=O)c2C#N)cc1	ZINC000032882991	556509638	/nfs/dbraw/zinc/50/96/38/556509638.db2.gz	FAFGUMYAMXNKAV-UHFFFAOYSA-N	-1	0	426.523	2.830	50	30		IFEARM
CCCCc1ccc(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000100937063	557202764	/nfs/dbraw/zinc/20/27/64/557202764.db2.gz	LKOQVKSXEYLCFN-PAMSCFNVSA-N	-1	0	438.571	2.886	50	30		IFEARM
COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000018045185	557234686	/nfs/dbraw/zinc/23/46/86/557234686.db2.gz	SEHAYQWOTDLDTJ-JEBJBBSMSA-N	-1	0	427.482	2.992	50	30		IFEARM
Nc1nc2n(n1)[C@H](c1ccc(OCC(=O)[O-])cc1)C1C(=O)C[C@@H](c3cccs3)CC1=N2	ZINC000018199136	557250829	/nfs/dbraw/zinc/25/08/29/557250829.db2.gz	DMJTZNQESRYNQY-HXPMCKFVSA-N	-1	0	437.481	2.801	50	30		IFEARM
CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[n-]c3=O)cc2Cl)n[nH]c1=O	ZINC000034842512	563088296	/nfs/dbraw/zinc/08/82/96/563088296.db2.gz	FDBYIYFVSAHJLY-UHFFFAOYSA-N	-1	0	435.227	2.923	50	30	in-man	IFEARM
COc1cc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccco3)cc2)nc(OC)n1	ZINC000211002675	568644390	/nfs/dbraw/zinc/64/43/90/568644390.db2.gz	ROAJNWAHPAFSRX-KTKRTIGZSA-N	-1	0	430.442	2.696	50	30		IFEARM
C#CCN1C(=O)S/C(=C\c2cc(OC)c(OCC(=O)[O-])cc2Br)C1=O	ZINC000013939654	568824459	/nfs/dbraw/zinc/82/44/59/568824459.db2.gz	FISILEGSNUKOCC-MLPAPPSSSA-N	-1	0	426.244	2.591	50	30		IFEARM
C=CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21	ZINC000002286461	568834846	/nfs/dbraw/zinc/83/48/46/568834846.db2.gz	RNVWSAORANNGPJ-MSUUIHNZSA-N	-1	0	437.502	2.841	50	30		IFEARM
N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccncc1)[C@@H]1OC(=O)c2ccccc21	ZINC000103011105	568891433	/nfs/dbraw/zinc/89/14/33/568891433.db2.gz	UOYBNSKBGIXVEJ-SIKLNZKXSA-N	-1	0	425.400	2.872	50	30		IFEARM
O=C([O-])Cc1sc(NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)nc1O	ZINC000007001837	569117489	/nfs/dbraw/zinc/11/74/89/569117489.db2.gz	UUEKTCUWKIHLJL-SBUZPKSBSA-N	-1	0	431.857	2.955	50	30		IFEARM
COC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2C)cc1	ZINC000252632188	569204915	/nfs/dbraw/zinc/20/49/15/569204915.db2.gz	VQAWEUQEDDFNJK-INIZCTEOSA-N	-1	0	441.465	2.762	50	30		IFEARM
CCOC(=O)c1c([N-]S(=O)(=O)c2cccc3ncccc32)c(C#N)cn1CCOC	ZINC000097164877	569403391	/nfs/dbraw/zinc/40/33/91/569403391.db2.gz	HQGDMYWCRFOJEB-UHFFFAOYSA-N	-1	0	428.470	2.532	50	30		IFEARM
Cc1ccc(Cl)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009291728	569519859	/nfs/dbraw/zinc/51/98/59/569519859.db2.gz	BJHABOOODIGLSJ-NFPAXOPASA-N	-1	0	430.935	2.505	50	30		IFEARM
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009301981	569520740	/nfs/dbraw/zinc/52/07/40/569520740.db2.gz	AKSDOFFDYWUWFL-WOOAAIBNSA-N	-1	0	440.408	2.890	50	30		IFEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1	ZINC000009467274	569538414	/nfs/dbraw/zinc/53/84/14/569538414.db2.gz	PKZFIXSOPSPSPL-KRWDZBQOSA-N	-1	0	447.538	2.659	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009487594	569539786	/nfs/dbraw/zinc/53/97/86/569539786.db2.gz	NRQXCCORXAWBTA-ZNEFHUSISA-N	-1	0	437.852	2.874	50	30		IFEARM
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000009492171	569540513	/nfs/dbraw/zinc/54/05/13/569540513.db2.gz	HZULICQMPFKWFM-UHFFFAOYSA-N	-1	0	437.543	2.788	50	30		IFEARM
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019633683	520794631	/nfs/dbraw/zinc/79/46/31/520794631.db2.gz	MPJWAENIKSSUAQ-FQEVSTJZSA-N	-1	0	441.484	2.763	50	30		IFEARM
CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)s1	ZINC000095456183	521682183	/nfs/dbraw/zinc/68/21/83/521682183.db2.gz	ATYAVCUUMJUEBS-UHFFFAOYSA-N	-1	0	444.600	2.898	50	30		IFEARM
COc1ccccc1C=NNC1=N[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C([O-])=N1	ZINC000071282035	524324386	/nfs/dbraw/zinc/32/43/86/524324386.db2.gz	UALHRZASEPKLPY-GTQIFZCBSA-N	-1	0	434.283	2.809	50	30		IFEARM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000009451668	526442353	/nfs/dbraw/zinc/44/23/53/526442353.db2.gz	ZAZHEUGFCJDCFA-NCCQTLTRSA-N	-1	0	441.534	2.781	50	30		IFEARM
O=C1Nc2ccc(Br)cc2C1=NNc1nnc(Cc2ccccc2)c(=O)[n-]1	ZINC000020522928	527089639	/nfs/dbraw/zinc/08/96/39/527089639.db2.gz	AIDIPAFXLQJVDL-UHFFFAOYSA-N	-1	0	425.246	2.699	50	30		IFEARM
COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)ccc1OCn1cc([N+](=O)[O-])cn1	ZINC000002808632	556146683	/nfs/dbraw/zinc/14/66/83/556146683.db2.gz	WDDJLRQFPINWMJ-DENHBWNVSA-N	-1	0	443.367	2.618	50	30		IFEARM
N=C(NN=Cc1c[nH]c2ccccc12)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000100698653	556650966	/nfs/dbraw/zinc/65/09/66/556650966.db2.gz	SCVZTFXAZLRRTQ-PKOLSWDWSA-N	-1	0	435.465	2.790	50	30		IFEARM
C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N/c1nccs1	ZINC000100448131	557403358	/nfs/dbraw/zinc/40/33/58/557403358.db2.gz	MUXUEEBRPXRRHT-UUPFABHOSA-N	-1	0	426.479	2.735	50	30		IFEARM
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000102928478	557410760	/nfs/dbraw/zinc/41/07/60/557410760.db2.gz	NXNDPKXQGDUIIB-GHNGSUTGSA-N	-1	0	431.828	2.951	50	30		IFEARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)c1C	ZINC000003258416	562933496	/nfs/dbraw/zinc/93/34/96/562933496.db2.gz	DPHBXAOZKLZNAO-UHFFFAOYSA-N	-1	0	426.454	2.981	50	30		IFEARM
C/C([O-])=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)cc1	ZINC000003287685	562933731	/nfs/dbraw/zinc/93/37/31/562933731.db2.gz	DHSMPDOOTBHXKV-UHFFFAOYSA-N	-1	0	442.478	2.827	50	30		IFEARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)nc(C)n1	ZINC000003313171	562934048	/nfs/dbraw/zinc/93/40/48/562934048.db2.gz	STRORQUYCBXNQO-UHFFFAOYSA-N	-1	0	437.481	2.783	50	30		IFEARM
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000027571702	563044432	/nfs/dbraw/zinc/04/44/32/563044432.db2.gz	SEIMYBCYAWBSIU-LJQANCHMSA-N	-1	0	429.400	2.983	50	30		IFEARM
C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)NCCCCCC(=O)[O-])CCC3	ZINC000001746448	568738431	/nfs/dbraw/zinc/73/84/31/568738431.db2.gz	MCYTXPFPKCEWQP-UHFFFAOYSA-N	-1	0	435.571	2.986	50	30		IFEARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)n1	ZINC000005941680	568739000	/nfs/dbraw/zinc/73/90/00/568739000.db2.gz	OBDMLFZFPUMYAA-UHFFFAOYSA-N	-1	0	437.481	2.783	50	30		IFEARM
N#Cc1c(=O)[n-]c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nc1-c1ccco1	ZINC000585655873	568778509	/nfs/dbraw/zinc/77/85/09/568778509.db2.gz	XTJJAJMXHPZJDL-UHFFFAOYSA-N	-1	0	428.377	2.915	50	30		IFEARM
N#Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c3ccccc3)c1)OCO2	ZINC000001421131	568792965	/nfs/dbraw/zinc/79/29/65/568792965.db2.gz	JXRQVWFJNBMTPH-UHFFFAOYSA-N	-1	0	442.474	2.921	50	30		IFEARM
N#Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1	ZINC000065097422	569103911	/nfs/dbraw/zinc/10/39/11/569103911.db2.gz	YCMBZDOQSAWPOD-UHFFFAOYSA-N	-1	0	429.483	2.707	50	30		IFEARM
COc1ccc(C(C)=NNC(=N)S[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000252640937	569209374	/nfs/dbraw/zinc/20/93/74/569209374.db2.gz	YYFGROYZLUQKKX-KRWDZBQOSA-N	-1	0	440.481	2.707	50	30		IFEARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C#N)cc2)c1C	ZINC000003307025	569445276	/nfs/dbraw/zinc/44/52/76/569445276.db2.gz	GYPJLZDJSCXJMD-UHFFFAOYSA-N	-1	0	426.454	2.981	50	30		IFEARM
COc1cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccccc2F)cc([N+](=O)[O-])c1[O-]	ZINC000032124962	569460403	/nfs/dbraw/zinc/46/04/03/569460403.db2.gz	GENGETSYCDWJLC-ZBKNUEDVSA-N	-1	0	440.351	2.964	50	30		IFEARM
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccc(I)cc2)c1=O	ZINC000008658671	569469708	/nfs/dbraw/zinc/46/97/08/569469708.db2.gz	NMOBMVMDCLWEEF-ZHZULCJRSA-N	-1	0	449.277	2.549	50	30		IFEARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000009128912	569505568	/nfs/dbraw/zinc/50/55/68/569505568.db2.gz	XIDFBRGQHDPAOE-UHFFFAOYSA-N	-1	0	449.554	2.932	50	30		IFEARM
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009429553	569533711	/nfs/dbraw/zinc/53/37/11/569533711.db2.gz	LEWICOHIROBBTQ-ZEVGMECHSA-N	-1	0	438.571	2.668	50	30		IFEARM
C=CCN(CC=C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000009491656	518762076	/nfs/dbraw/zinc/76/20/76/518762076.db2.gz	FTPGACABLRDZOC-UHFFFAOYSA-N	-1	0	444.509	2.853	50	30		IFEARM
CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)s1	ZINC000095456181	521682284	/nfs/dbraw/zinc/68/22/84/521682284.db2.gz	KPZPCJDNYOXGKE-UHFFFAOYSA-N	-1	0	430.573	2.540	50	30		IFEARM
Cc1ccc(Cl)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009291726	524728391	/nfs/dbraw/zinc/72/83/91/524728391.db2.gz	BJHABOOODIGLSJ-SGOHWPKCSA-N	-1	0	430.935	2.505	50	30		IFEARM
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)c(C(=O)[O-])c1	ZINC000032961686	524874684	/nfs/dbraw/zinc/87/46/84/524874684.db2.gz	KARJPEKLJYVZKG-UHFFFAOYSA-N	-1	0	446.504	2.669	50	30		IFEARM
COc1nc(NC(=O)N=S(=O)([O-])c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1	ZINC000042685591	524977980	/nfs/dbraw/zinc/97/79/80/524977980.db2.gz	KVEQCVKVIFQSGC-UHFFFAOYSA-N	-1	0	445.301	2.633	50	30	in-vitro	IFEARM
O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000021301408	526392180	/nfs/dbraw/zinc/39/21/80/526392180.db2.gz	RTQKWWOSWDCUMA-IRXDYDNUSA-N	-1	0	445.453	2.941	50	30		IFEARM
NC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012275797	527056472	/nfs/dbraw/zinc/05/64/72/527056472.db2.gz	HOVXDYFTEJJTMB-QQTULTPQSA-N	-1	0	428.408	2.913	50	30		IFEARM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000040129696	527159299	/nfs/dbraw/zinc/15/92/99/527159299.db2.gz	IAZWUJDVZLGOGN-CYBMUJFWSA-N	-1	0	444.481	2.711	50	30		IFEARM
COc1ccc(-c2nc(SCC(=O)NCCOc3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000032882989	556509644	/nfs/dbraw/zinc/50/96/44/556509644.db2.gz	BGBJOQOMPVZASW-UHFFFAOYSA-N	-1	0	436.493	2.604	50	30		IFEARM
N#Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1	ZINC000032904517	556544430	/nfs/dbraw/zinc/54/44/30/556544430.db2.gz	AEERUWGBQYBPOQ-UHFFFAOYSA-N	-1	0	433.449	2.781	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961960	556579221	/nfs/dbraw/zinc/57/92/21/556579221.db2.gz	XRNAGWQQEDIIDJ-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1	ZINC000032961962	556579357	/nfs/dbraw/zinc/57/93/57/556579357.db2.gz	BCIBLAUPRZECJG-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1C	ZINC000032961966	556579391	/nfs/dbraw/zinc/57/93/91/556579391.db2.gz	JAFSJDRHVGJOKC-UHFFFAOYSA-N	-1	0	442.541	2.838	50	30		IFEARM
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961971	556579678	/nfs/dbraw/zinc/57/96/78/556579678.db2.gz	MUPQOGGQZOSYIO-UHFFFAOYSA-N	-1	0	442.541	2.784	50	30		IFEARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])cc1	ZINC000033006955	556655665	/nfs/dbraw/zinc/65/56/65/556655665.db2.gz	IOMGHFOOFFOFND-UHFFFAOYSA-N	-1	0	428.514	2.530	50	30		IFEARM
CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C#N)c1C	ZINC000097944358	556815105	/nfs/dbraw/zinc/81/51/05/556815105.db2.gz	BRAVADHAPBAVPW-GDNBJRDFSA-N	-1	0	438.465	2.992	50	30		IFEARM
CC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)c1ccc(F)cc1	ZINC000100516463	557263399	/nfs/dbraw/zinc/26/33/99/557263399.db2.gz	SFLCWIISXMJGPX-BRUSPLQXSA-N	-1	0	428.445	2.838	50	30		IFEARM
Cc1c(-n2cc(C(=O)c3cc(F)ccc3[O-])cc(C#N)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000013140055	562985292	/nfs/dbraw/zinc/98/52/92/562985292.db2.gz	PRJATLHOPVWDCL-UHFFFAOYSA-N	-1	0	444.422	2.583	50	30		IFEARM
N#Cc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccncc1)[C@H]1OC(=O)c2ccccc21	ZINC000103011098	568891347	/nfs/dbraw/zinc/89/13/47/568891347.db2.gz	UOYBNSKBGIXVEJ-UGKGYDQZSA-N	-1	0	425.400	2.872	50	30		IFEARM
COc1ccc(/C=N/N=C2\S[C@H](CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1OC	ZINC000001780102	568906773	/nfs/dbraw/zinc/90/67/73/568906773.db2.gz	OVDZYPQEKHJBIV-IRDPPEATSA-N	-1	0	429.454	2.723	50	30		IFEARM
COC(=O)c1cccc(S(=O)(=O)[N-]c2nn(-c3ccc(C#N)cc3F)cc2C#N)c1C	ZINC000170617385	569147185	/nfs/dbraw/zinc/14/71/85/569147185.db2.gz	QNYOLOZSJJCWJJ-UHFFFAOYSA-N	-1	0	439.428	2.651	50	30		IFEARM
O=C([N-]S(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)[nH]1	ZINC000078989122	569321446	/nfs/dbraw/zinc/32/14/46/569321446.db2.gz	CVYJQYMYCXZIKE-UHFFFAOYSA-N	-1	0	436.486	2.929	50	30		IFEARM
COc1cc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccco3)cc2)nc(OC)n1	ZINC000096576579	569401426	/nfs/dbraw/zinc/40/14/26/569401426.db2.gz	ROAJNWAHPAFSRX-MDZDMXLPSA-N	-1	0	430.442	2.696	50	30		IFEARM
COc1ccc(-c2nc(SCC(=O)NCc3ccccc3OC)[n-]c(=O)c2C#N)cc1	ZINC000030587701	569444272	/nfs/dbraw/zinc/44/42/72/569444272.db2.gz	PZSXWACRNPLLTD-UHFFFAOYSA-N	-1	0	436.493	2.734	50	30		IFEARM
O=C([O-])COc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1	ZINC000008694761	569470126	/nfs/dbraw/zinc/47/01/26/569470126.db2.gz	QNASDXIOUMXXNH-HZHRSRAPSA-N	-1	0	439.520	2.762	50	30		IFEARM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000009271548	569517858	/nfs/dbraw/zinc/51/78/58/569517858.db2.gz	VSYKHXMZQHWIBU-LCPUNJGISA-N	-1	0	425.437	2.990	50	30		IFEARM
Cc1ccc(Cl)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009291725	569519857	/nfs/dbraw/zinc/51/98/57/569519857.db2.gz	BJHABOOODIGLSJ-BAEHRGANSA-N	-1	0	430.935	2.505	50	30		IFEARM
Cc1ccc(Cl)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009291727	569519895	/nfs/dbraw/zinc/51/98/95/569519895.db2.gz	BJHABOOODIGLSJ-ORQRPPJRSA-N	-1	0	430.935	2.505	50	30		IFEARM
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009301980	569520752	/nfs/dbraw/zinc/52/07/52/569520752.db2.gz	AKSDOFFDYWUWFL-LFVOPCPISA-N	-1	0	440.408	2.890	50	30		IFEARM
COc1ccc(C=CC(=O)c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1OC	ZINC000009429968	569533854	/nfs/dbraw/zinc/53/38/54/569533854.db2.gz	LPGGLEZZOQJZGG-YCRREMRBSA-N	-1	0	428.828	2.798	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000009451673	569536474	/nfs/dbraw/zinc/53/64/74/569536474.db2.gz	ZAZHEUGFCJDCFA-NPWLIUPYSA-N	-1	0	441.534	2.781	50	30		IFEARM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000009452478	569536498	/nfs/dbraw/zinc/53/64/98/569536498.db2.gz	KQKCHKUQKBXKAB-IOGQSSPCSA-N	-1	0	427.507	2.994	50	30		IFEARM
C=CCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(OC)c(OC)c3)N(c3ccccc3)N2)C1=O	ZINC000009488242	569539882	/nfs/dbraw/zinc/53/98/82/569539882.db2.gz	LMWVMYFKPSBHDE-QUWSGOTNSA-N	-1	0	448.479	2.678	50	30		IFEARM