smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000005624817	462664811	/nfs/dbraw/zinc/66/48/11/462664811.db2.gz	JPGQMTMMYDODMD-UHFFFAOYSA-N	-1	1	344.849	2.259	50	30		EEEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccncc1	ZINC000009452641	462802003	/nfs/dbraw/zinc/80/20/03/462802003.db2.gz	PKZVJNSJZCKWGK-AWQFTUOYSA-N	-1	1	335.392	2.237	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)n1	ZINC000014136157	521343089	/nfs/dbraw/zinc/34/30/89/521343089.db2.gz	JMGOAANNGCHLKO-LLVKDONJSA-N	-1	1	348.453	2.456	50	30		EEEAMM
C/C(=N\N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccccc1Cl	ZINC000004709239	462636248	/nfs/dbraw/zinc/63/62/48/462636248.db2.gz	NXKJUXQYNGAMOB-NPVNMOQSSA-N	-1	1	325.777	2.126	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000006752705	462702770	/nfs/dbraw/zinc/70/27/70/462702770.db2.gz	GKZRDJYXWGJUDF-SIXWZSSISA-N	-1	1	342.395	2.208	50	30		EEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1	ZINC000007612601	462742627	/nfs/dbraw/zinc/74/26/27/462742627.db2.gz	QVVUANVJLWYPHW-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N2C(C)=O)cc1OCC	ZINC000100930637	219111831	/nfs/dbraw/zinc/11/18/31/219111831.db2.gz	BGCAXQWLYBODFS-LCYFTJDESA-N	-1	1	346.408	2.254	50	30		EEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1	ZINC000031720034	202208784	/nfs/dbraw/zinc/20/87/84/202208784.db2.gz	AIRNSQXMYLRVRD-UHFFFAOYSA-N	-1	1	343.364	2.316	50	30		EEEAMM
Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000032833639	202237646	/nfs/dbraw/zinc/23/76/46/202237646.db2.gz	NLNXGHMMYIUTDZ-UHFFFAOYSA-N	-1	1	339.380	2.155	50	30		EEEAMM
CC[C@H](Sc1nc(C)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N	ZINC000018094139	463005733	/nfs/dbraw/zinc/00/57/33/463005733.db2.gz	LXEAHMJGOWNALV-ZDUSSCGKSA-N	-1	1	328.397	2.459	50	30		EEEAMM
COc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000337780	524016860	/nfs/dbraw/zinc/01/68/60/524016860.db2.gz	NEHHOFVWXIHEJT-UHFFFAOYSA-N	-1	1	334.397	2.396	50	30		EEEAMM
COc1ccc(CNC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000337780	524016864	/nfs/dbraw/zinc/01/68/64/524016864.db2.gz	NEHHOFVWXIHEJT-UHFFFAOYSA-N	-1	1	334.397	2.396	50	30		EEEAMM
CN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000015776846	277217020	/nfs/dbraw/zinc/21/70/20/277217020.db2.gz	OWJHNCCIYIXONQ-VKAVYKQESA-N	-1	1	341.283	2.296	50	30		EEEAMM
CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970764	463393297	/nfs/dbraw/zinc/39/32/97/463393297.db2.gz	VJXREUVHQVURMO-XTKXOIQPSA-N	-1	1	330.336	2.322	50	30		EEEAMM
C=CCNC(=S)N/N=C/c1c([O-])ccc2cc([N+](=O)[O-])ccc21	ZINC000005830674	462669848	/nfs/dbraw/zinc/66/98/48/462669848.db2.gz	XIOVZPXALDHDHA-RQZCQDPDSA-N	-1	1	330.369	2.438	50	30		EEEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000011906572	283180136	/nfs/dbraw/zinc/18/01/36/283180136.db2.gz	XJMQLMRSZGKKDO-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)[N-]C1=S	ZINC000009242624	462801152	/nfs/dbraw/zinc/80/11/52/462801152.db2.gz	VNCCHIVSLNXVSR-JYRVWZFOSA-N	-1	1	337.360	2.486	50	30		EEEAMM
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000071746062	463421203	/nfs/dbraw/zinc/42/12/03/463421203.db2.gz	XRGFQNVRMWOSOB-CHWSQXEVSA-N	-1	1	325.372	2.103	50	30		EEEAMM
CCN(CC)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1Br	ZINC000004046601	462626459	/nfs/dbraw/zinc/62/64/59/462626459.db2.gz	XRJKPUQEJNYDLK-RIYZIHGNSA-N	-1	1	338.213	2.254	50	30		EEEAMM
CCN(CC)c1ccc(CN=Nc2nn[n-]n2)cc1Br	ZINC000004046601	462626461	/nfs/dbraw/zinc/62/64/61/462626461.db2.gz	XRJKPUQEJNYDLK-RIYZIHGNSA-N	-1	1	338.213	2.254	50	30		EEEAMM
CC(=NC(=S)Nc1nc(C)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1	ZINC000006382148	462683960	/nfs/dbraw/zinc/68/39/60/462683960.db2.gz	BNHNPPMZGIANCR-CXUHLZMHSA-N	-1	1	331.357	2.193	50	30		EEEAMM
COc1ccc(NC(=O)[N-]S(=O)(=O)c2cccs2)c(OC)c1	ZINC000071769443	463424943	/nfs/dbraw/zinc/42/49/43/463424943.db2.gz	KKRXFBNMQPLDOP-UHFFFAOYSA-N	-1	1	342.398	2.480	50	30		EEEAMM
COc1ccc(NC([O-])=NS(=O)(=O)c2cccs2)c(OC)c1	ZINC000071769443	463424951	/nfs/dbraw/zinc/42/49/51/463424951.db2.gz	KKRXFBNMQPLDOP-UHFFFAOYSA-N	-1	1	342.398	2.480	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(=O)o1	ZINC000102216578	1198638961	/nfs/dbraw/zinc/63/89/61/1198638961.db2.gz	UGYBOUFCZMJYNG-ZEVQVBBLSA-N	-1	1	336.347	2.160	50	30		EEEAMM
C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)[N-]C1=S	ZINC000005043984	210372751	/nfs/dbraw/zinc/37/27/51/210372751.db2.gz	KCKSBOLCZRJRHH-QINSGFPZSA-N	-1	1	341.436	2.100	50	30		EEEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O	ZINC000001171783	462577743	/nfs/dbraw/zinc/57/77/43/462577743.db2.gz	LMFYAHFCNVJFQC-PDMWYYABSA-N	-1	1	346.195	2.390	50	30		EEEAMM
CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970766	463393519	/nfs/dbraw/zinc/39/35/19/463393519.db2.gz	VJXREUVHQVURMO-WVRJYTFGSA-N	-1	1	330.336	2.322	50	30		EEEAMM
COc1cc(C=Nn2cn[n-]c2=S)cc(Br)c1O	ZINC000004056297	210108986	/nfs/dbraw/zinc/10/89/86/210108986.db2.gz	MOXJTJWMELWCKT-YIXHJXPBSA-N	-1	1	329.179	2.300	50	30		EEEAMM
CS(=O)(=O)Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036744341	213116546	/nfs/dbraw/zinc/11/65/46/213116546.db2.gz	OQDBKVXKCFPGGZ-UHFFFAOYSA-N	-1	1	348.306	2.004	50	30		EEEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cc2ccccc2o1	ZINC000016136562	462970653	/nfs/dbraw/zinc/97/06/53/462970653.db2.gz	VUPQMUPQHFVPQF-OYZNXWOWSA-N	-1	1	331.353	2.219	50	30		EEEAMM
N#Cc1c(N)nc(SCC2N=CC=N2)c(C#N)c1-c1ccc([O-])cc1	ZINC000526061656	467648996	/nfs/dbraw/zinc/64/89/96/467648996.db2.gz	CNHBWPSCLIEOFE-UHFFFAOYSA-N	-1	1	348.391	2.353	50	30		EEEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000040116216	213268261	/nfs/dbraw/zinc/26/82/61/213268261.db2.gz	KLOWSURKNGZRKF-UHFFFAOYSA-N	-1	1	335.223	2.442	50	30		EEEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(Br)cc1	ZINC000040116216	213268265	/nfs/dbraw/zinc/26/82/65/213268265.db2.gz	KLOWSURKNGZRKF-UHFFFAOYSA-N	-1	1	335.223	2.442	50	30		EEEAMM
C=CCN1C(=O)C(=Cc2cccc(OC)c2OC)C(=O)[N-]C1=S	ZINC000000378753	462557177	/nfs/dbraw/zinc/55/71/77/462557177.db2.gz	KXWRNWOGZMGZGX-PKNBQFBNSA-N	-1	1	332.381	2.357	50	30		EEEAMM
CCCCOC(=O)c1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1	ZINC000001907127	462587611	/nfs/dbraw/zinc/58/76/11/462587611.db2.gz	AJEIBYORHGRYKC-RQZCQDPDSA-N	-1	1	332.385	2.140	50	30		EEEAMM
N/C(=N/O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005392759	462657530	/nfs/dbraw/zinc/65/75/30/462657530.db2.gz	FRUQVVHSJYBWKU-UHFFFAOYSA-N	-1	1	325.777	2.235	50	30		EEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1	ZINC000007726758	462747565	/nfs/dbraw/zinc/74/75/65/462747565.db2.gz	RCXCJPMXPIQVEK-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21	ZINC000022274557	212287245	/nfs/dbraw/zinc/28/72/45/212287245.db2.gz	DPDOMWHJHSTMBC-UHFFFAOYSA-N	-1	1	341.392	2.268	50	30		EEEAMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000006315173	462682229	/nfs/dbraw/zinc/68/22/29/462682229.db2.gz	QLZCRXZZOPKZFW-UHFFFAOYSA-N	-1	1	330.365	2.454	50	30		EEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000000503338	462568346	/nfs/dbraw/zinc/56/83/46/462568346.db2.gz	AOHPCYBJCBKEAX-UHFFFAOYSA-N	-1	1	348.380	2.116	50	30		EEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NCc2ccc3c(c2)OCO3)cc1	ZINC000000503338	462568349	/nfs/dbraw/zinc/56/83/49/462568349.db2.gz	AOHPCYBJCBKEAX-UHFFFAOYSA-N	-1	1	348.380	2.116	50	30		EEEAMM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1sccc1-n1cnnn1	ZINC000123042958	463312355	/nfs/dbraw/zinc/31/23/55/463312355.db2.gz	MEZVRROXARKYSN-SNVBAGLBSA-N	-1	1	349.379	2.101	50	30		EEEAMM
COc1cc(NC(=O)c2ccc(C#N)cc2)ccc1[N-]S(C)(=O)=O	ZINC000032818592	463396191	/nfs/dbraw/zinc/39/61/91/463396191.db2.gz	OYFSYEOMIFZXAZ-UHFFFAOYSA-N	-1	1	345.380	2.191	50	30		EEEAMM
O=C1Nc2ccc(F)cc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004751111	275024722	/nfs/dbraw/zinc/02/47/22/275024722.db2.gz	GOGPUJIXGJHCAM-UHFFFAOYSA-N	-1	1	345.246	2.410	50	30		EEEAMM
N=C1C(c2nc3ccccc3[nH]2)C([O-])=CN1c1ccc2cn[nH]c2c1	ZINC000006400123	462686099	/nfs/dbraw/zinc/68/60/99/462686099.db2.gz	COEPYUKCKUXQEE-UHFFFAOYSA-N	-1	1	330.351	2.156	50	30		EEEAMM
CCCOc1ccc(/C(C)=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004833753	520319159	/nfs/dbraw/zinc/31/91/59/520319159.db2.gz	KMVAFZSUNQYANV-VQIMKDEXSA-N	-1	1	349.412	2.262	50	30		EEEAMM
N#Cc1ccccc1-c1ccc(CN2CCN(CCC(=O)[O-])CC2)o1	ZINC000244742062	243073306	/nfs/dbraw/zinc/07/33/06/243073306.db2.gz	OBFXKZBPABIMAC-UHFFFAOYSA-N	-1	1	339.395	2.411	50	30		EEEAMM
C=CCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21	ZINC000001244973	462578641	/nfs/dbraw/zinc/57/86/41/462578641.db2.gz	YYLUCUPCHAEELA-UHFFFAOYSA-N	-1	1	335.363	2.218	50	30		EEEAMM
C=CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S	ZINC000001302085	462578710	/nfs/dbraw/zinc/57/87/10/462578710.db2.gz	RFETVMLQILOEQN-LCYFTJDESA-N	-1	1	325.393	2.402	50	30		EEEAMM
CC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(C)[n-]c(=O)c(C#N)c2C[C@]1(C)O	ZINC000238900790	464440315	/nfs/dbraw/zinc/44/03/15/464440315.db2.gz	JZGZUQUVLQAEMQ-SCTDSRPQSA-N	-1	1	337.379	2.007	50	30		EEEAMM
Cc1ccc(C(=O)NCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036714243	213113909	/nfs/dbraw/zinc/11/39/09/213113909.db2.gz	BJWCVERMMISFCC-UHFFFAOYSA-N	-1	1	327.266	2.150	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1F)CC(=O)N2	ZINC000004944213	210334680	/nfs/dbraw/zinc/33/46/80/210334680.db2.gz	KNMNRFLYYQUELH-JTQLQIEISA-N	-1	1	329.356	2.108	50	30		EEEAMM
Cc1nn(C(N)=S)c([O-])c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N	ZINC000006556322	462689285	/nfs/dbraw/zinc/68/92/85/462689285.db2.gz	MVRIBBSKOVPODF-ZDUSSCGKSA-N	-1	1	345.815	2.437	50	30		EEEAMM
O=C(Cc1sc(NN=Cc2ccco2)nc1[O-])Nc1ccccc1	ZINC000016810533	527146268	/nfs/dbraw/zinc/14/62/68/527146268.db2.gz	FLIYDQCLZJPTMV-NWRYFCBHSA-N	-1	1	342.380	2.230	50	30		EEEAMM
CCOC(=O)C1=NO[C@@H](COc2ccc(Cl)cc2/C=N\[O-])C1	ZINC000100916960	219111153	/nfs/dbraw/zinc/11/11/53/219111153.db2.gz	YBEXMVBQSQLANY-CRZGJZTJSA-N	-1	1	326.736	2.235	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)o1	ZINC000003299566	210000765	/nfs/dbraw/zinc/00/07/65/210000765.db2.gz	KSFFOZCUBWSLPM-LYKUJDHUSA-N	-1	1	335.699	2.476	50	30		EEEAMM
N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1	ZINC000000378300	462557084	/nfs/dbraw/zinc/55/70/84/462557084.db2.gz	SXECLVTZQWRRGS-CXUHLZMHSA-N	-1	1	335.388	2.482	50	30		EEEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCN(c2cnccn2)C1	ZINC000037171561	132392769	/nfs/dbraw/zinc/39/27/69/132392769.db2.gz	KIGKXHFDUVSBJG-QMMMGPOBSA-N	-1	1	341.297	2.118	50	30		EEEAMM
COC(=O)[N-]C(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1	ZINC000004275785	210158609	/nfs/dbraw/zinc/15/86/09/210158609.db2.gz	LFTYOPDKCIGLTI-UHFFFAOYSA-N	-1	1	329.337	2.368	50	30		EEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NN2CCC(C)(C)CC2)cc1	ZINC000071770147	463424523	/nfs/dbraw/zinc/42/45/23/463424523.db2.gz	JZEXNHXRNGALAN-UHFFFAOYSA-N	-1	1	325.434	2.224	50	30		EEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NN2CCC(C)(C)CC2)cc1	ZINC000071770147	463424525	/nfs/dbraw/zinc/42/45/25/463424525.db2.gz	JZEXNHXRNGALAN-UHFFFAOYSA-N	-1	1	325.434	2.224	50	30		EEEAMM
CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC	ZINC000003560087	520617806	/nfs/dbraw/zinc/61/78/06/520617806.db2.gz	RFEVITWRTKVCHT-QQOXCAACSA-N	-1	1	330.336	2.322	50	30		EEEAMM
Cc1cc(C)nc(NC([O-])=NS(=O)(=O)c2ccc(F)cc2F)n1	ZINC000004476765	210196465	/nfs/dbraw/zinc/19/64/65/210196465.db2.gz	OVMWDUPUJROBCN-UHFFFAOYSA-N	-1	1	342.327	2.086	50	30		EEEAMM
Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)n1	ZINC000004476765	210196470	/nfs/dbraw/zinc/19/64/70/210196470.db2.gz	OVMWDUPUJROBCN-UHFFFAOYSA-N	-1	1	342.327	2.086	50	30		EEEAMM
C=C(C)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1	ZINC000020718335	212164238	/nfs/dbraw/zinc/16/42/38/212164238.db2.gz	DXFWEXAITRLTLI-SFHVURJKSA-N	-1	1	343.427	2.496	50	30		EEEAMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(Cl)c1	ZINC000114673414	462668484	/nfs/dbraw/zinc/66/84/84/462668484.db2.gz	ZPNMZFPABHANOT-UHFFFAOYSA-N	-1	1	349.799	2.420	50	30		EEEAMM
COc1ccc(NC(=O)c2ccc(C#N)cc2)cc1[N-]S(C)(=O)=O	ZINC000012822388	462871171	/nfs/dbraw/zinc/87/11/71/462871171.db2.gz	YDZXPRNVHVHHSV-UHFFFAOYSA-N	-1	1	345.380	2.191	50	30		EEEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1ccccc1	ZINC000100967358	463376097	/nfs/dbraw/zinc/37/60/97/463376097.db2.gz	IOHOPKWZVLDBNY-VXLYETTFSA-N	-1	1	325.299	2.121	50	30		EEEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1	ZINC000003329777	462615764	/nfs/dbraw/zinc/61/57/64/462615764.db2.gz	JMVPOUOELRPFRA-UHFFFAOYSA-N	-1	1	343.408	2.196	50	30		EEEAMM
O=C([O-])c1cc(-c2ccc(CN=Nc3nn[nH]n3)o2)ccc1Cl	ZINC000005016152	526342438	/nfs/dbraw/zinc/34/24/38/526342438.db2.gz	ZROATMLDGZFLOL-GIDUJCDVSA-N	-1	1	332.707	2.257	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccccn3)n2)c(=O)o1	ZINC000102500664	463387884	/nfs/dbraw/zinc/38/78/84/463387884.db2.gz	WKPVLWRYSFDOFX-NFAHFFEMSA-N	-1	1	340.360	2.433	50	30		EEEAMM
C=CCc1ccc(OCCSc2nc(N)cc(=O)[n-]2)c(OC)c1	ZINC000016527219	519138807	/nfs/dbraw/zinc/13/88/07/519138807.db2.gz	XRKYOSAKSAKLAR-UHFFFAOYSA-N	-1	1	333.413	2.260	50	30		EEEAMM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000002779583	462602385	/nfs/dbraw/zinc/60/23/85/462602385.db2.gz	NWLZFAZRZCUAEA-UHFFFAOYSA-N	-1	1	331.357	2.393	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(F)ccc1F)CC(=O)N2	ZINC000021784967	212249835	/nfs/dbraw/zinc/24/98/35/212249835.db2.gz	NCHZNYLQRMMBDD-JTQLQIEISA-N	-1	1	347.346	2.248	50	30		EEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2	ZINC000021784028	212248692	/nfs/dbraw/zinc/24/86/92/212248692.db2.gz	RLUASWJOULVPRH-VIFPVBQESA-N	-1	1	345.380	2.346	50	30		EEEAMM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)NN1CCCCCC1	ZINC000000001517	462540322	/nfs/dbraw/zinc/54/03/22/462540322.db2.gz	RHQSNARBXHRBNP-UHFFFAOYSA-N	-1	1	331.825	2.323	50	30	in-man	EEEAMM
O=S(=O)(N=C([O-])NN1CCCCCC1)c1ccc(Cl)cc1	ZINC000000001517	462540324	/nfs/dbraw/zinc/54/03/24/462540324.db2.gz	RHQSNARBXHRBNP-UHFFFAOYSA-N	-1	1	331.825	2.323	50	30	in-man	EEEAMM
Cc1csc(-c2c([O-])cn(N=Cc3ccc(N(C)C)cc3)c2N)n1	ZINC000013691943	462899564	/nfs/dbraw/zinc/89/95/64/462899564.db2.gz	MFGCBIMDTXQSRN-UFWORHAWSA-N	-1	1	341.440	2.064	50	30		EEEAMM
C=CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970754	463393606	/nfs/dbraw/zinc/39/36/06/463393606.db2.gz	ZATMQEBIPALTJS-YEODSOHDSA-N	-1	1	342.347	2.488	50	30		EEEAMM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1O	ZINC000032227836	202222424	/nfs/dbraw/zinc/22/24/24/202222424.db2.gz	KXVRBJUAMICLSH-PXNMLYILSA-N	-1	1	331.284	2.453	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000006752707	277873470	/nfs/dbraw/zinc/87/34/70/277873470.db2.gz	GKZRDJYXWGJUDF-ALKREAHSSA-N	-1	1	342.395	2.208	50	30		EEEAMM
C=CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)n[n-]c1=S	ZINC000020416325	212126494	/nfs/dbraw/zinc/12/64/94/212126494.db2.gz	LEVXCARBYRYMKS-UHFFFAOYSA-N	-1	1	342.421	2.232	50	30		EEEAMM
CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C)no3)sc2C1	ZINC000012422424	207144223	/nfs/dbraw/zinc/14/42/23/207144223.db2.gz	ZBYHECQFTJOEHX-UHFFFAOYSA-N	-1	1	330.369	2.073	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C#N)c2)n1	ZINC000013522252	462894698	/nfs/dbraw/zinc/89/46/98/462894698.db2.gz	QFYIYAUACHUXBW-UHFFFAOYSA-N	-1	1	328.397	2.325	50	30		EEEAMM
C=CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000028605441	463228192	/nfs/dbraw/zinc/22/81/92/463228192.db2.gz	ZATMQEBIPALTJS-FZMUQLTDSA-N	-1	1	342.347	2.488	50	30		EEEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1O	ZINC000003547020	1202534424	/nfs/dbraw/zinc/53/44/24/1202534424.db2.gz	VHRDNAFMCHWDDT-XGACYXMMSA-N	-1	1	336.727	2.282	50	30		EEEAMM
CCCOc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006779041	462704503	/nfs/dbraw/zinc/70/45/03/462704503.db2.gz	KMVAFZSUNQYANV-HVOBPNNYSA-N	-1	1	349.412	2.262	50	30		EEEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000012343031	462849731	/nfs/dbraw/zinc/84/97/31/462849731.db2.gz	VYKAUZXSJNDTEF-NPVNMOQSSA-N	-1	1	325.777	2.126	50	30		EEEAMM
Cc1csc(CCN[C@H](c2cccc(C#N)c2)[P@@](=O)([O-])O)n1	ZINC000013016436	462882419	/nfs/dbraw/zinc/88/24/19/462882419.db2.gz	YQBFAEZZNTYAMU-AWEZNQCLSA-N	-1	1	337.341	2.332	50	30		EEEAMM
Cc1csc(CCN[C@H](c2cccc(C#N)c2)[P@](=O)([O-])O)n1	ZINC000013016436	462882425	/nfs/dbraw/zinc/88/24/25/462882425.db2.gz	YQBFAEZZNTYAMU-AWEZNQCLSA-N	-1	1	337.341	2.332	50	30		EEEAMM
Cc1csc(CCN[C@@H](c2cccc(C#N)c2)[P@@](=O)([O-])O)n1	ZINC000013016433	462882339	/nfs/dbraw/zinc/88/23/39/462882339.db2.gz	YQBFAEZZNTYAMU-CQSZACIVSA-N	-1	1	337.341	2.332	50	30		EEEAMM
Cc1csc(CCN[C@@H](c2cccc(C#N)c2)[P@](=O)([O-])O)n1	ZINC000013016433	462882341	/nfs/dbraw/zinc/88/23/41/462882341.db2.gz	YQBFAEZZNTYAMU-CQSZACIVSA-N	-1	1	337.341	2.332	50	30		EEEAMM
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000013123904	462885281	/nfs/dbraw/zinc/88/52/81/462885281.db2.gz	JFZVMBGEIFPVOK-ALCCZGGFSA-N	-1	1	345.311	2.128	50	30		EEEAMM
O=c1[nH][n-]c(-c2ccc(Cl)cc2)c(N=Nc2ccccc2)c1=O	ZINC000100092150	463372008	/nfs/dbraw/zinc/37/20/08/463372008.db2.gz	UPFBFEBWSVTEPL-ZHZULCJRSA-N	-1	1	326.743	2.211	50	30		EEEAMM
COc1cc(/C=N/n2c(C)nnc2C)cc(Br)c1[O-]	ZINC000000231305	462549596	/nfs/dbraw/zinc/54/95/96/462549596.db2.gz	KHJQRLRAJWZNEE-MKMNVTDBSA-N	-1	1	325.166	2.254	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccccn3)n2)c(=O)o1	ZINC000104300793	463411598	/nfs/dbraw/zinc/41/15/98/463411598.db2.gz	WKPVLWRYSFDOFX-IYKSTZQJSA-N	-1	1	340.360	2.433	50	30		EEEAMM
CCOC(=O)C1=NO[C@H](COc2ccc(Cl)cc2/C=N\[O-])C1	ZINC000100916959	219110758	/nfs/dbraw/zinc/11/07/58/219110758.db2.gz	YBEXMVBQSQLANY-FQKZPNAISA-N	-1	1	326.736	2.235	50	30		EEEAMM
CCOC(=O)N1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1	ZINC000037171449	213134391	/nfs/dbraw/zinc/13/43/91/213134391.db2.gz	PLPQVEIVVWSQFC-UHFFFAOYSA-N	-1	1	335.286	2.280	50	30		EEEAMM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCC3)n1	ZINC000002782575	462603094	/nfs/dbraw/zinc/60/30/94/462603094.db2.gz	QSLKVGKXHILEKG-UHFFFAOYSA-N	-1	1	331.357	2.485	50	30		EEEAMM
Cc1cccc(N=Cc2c([O-])n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c1	ZINC000101581571	463379229	/nfs/dbraw/zinc/37/92/29/463379229.db2.gz	OWODQZBGVDKMKN-JMIUGGIZSA-N	-1	1	339.326	2.430	50	30		EEEAMM
C[C@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1	ZINC000071404090	463415012	/nfs/dbraw/zinc/41/50/12/463415012.db2.gz	AUOYCUZOBQYMKO-SNVBAGLBSA-N	-1	1	343.412	2.167	50	30		EEEAMM
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)n[n-]c1=S	ZINC000005484698	519182315	/nfs/dbraw/zinc/18/23/15/519182315.db2.gz	OQJRTDYYBWBAQL-UHFFFAOYSA-N	-1	1	334.401	2.074	50	30		EEEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N\n2cnnc2)cc1	ZINC000000052152	209391880	/nfs/dbraw/zinc/39/18/80/209391880.db2.gz	SPZUWGYEIPHBHM-GRSHGNNSSA-N	-1	1	341.396	2.270	50	30		EEEAMM
COc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@@H](C)C2	ZINC000105875742	295032321	/nfs/dbraw/zinc/03/23/21/295032321.db2.gz	PFMMDCNRVMMRPK-UQGRQDFCSA-N	-1	1	342.347	2.247	50	30		EEEAMM
N#Cc1ccccc1COc1ccc(/C=C2\NC(=S)[N-]C2=O)cc1	ZINC000000378304	462557397	/nfs/dbraw/zinc/55/73/97/462557397.db2.gz	SXECLVTZQWRRGS-SXGWCWSVSA-N	-1	1	335.388	2.482	50	30		EEEAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1nc[nH]n1	ZINC000096919018	463300806	/nfs/dbraw/zinc/30/08/06/463300806.db2.gz	VACVAKLSXQEIDZ-UHFFFAOYSA-N	-1	1	328.357	2.348	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2sccc2C#N)n1	ZINC000009963975	211137941	/nfs/dbraw/zinc/13/79/41/211137941.db2.gz	OIGJJCXVACRQGI-UHFFFAOYSA-N	-1	1	334.426	2.386	50	30		EEEAMM
S=c1[n-]ncn1N=Cc1ccccc1I	ZINC000006132885	462678155	/nfs/dbraw/zinc/67/81/55/462678155.db2.gz	SBTOIKKJTUKVMM-LFYBBSHMSA-N	-1	1	330.154	2.427	50	30		EEEAMM
COC(=O)[C@@H]1C(=O)C(=C([O-])C=Cc2ccccc2)C(=O)CC1(C)C	ZINC000100319742	219096961	/nfs/dbraw/zinc/09/69/61/219096961.db2.gz	FNNWAQYAEWAHFA-IGXNXKSNSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
COC(=O)[C@@H]1C(=O)C(C(=O)C=Cc2ccccc2)=C([O-])CC1(C)C	ZINC000100319742	219096962	/nfs/dbraw/zinc/09/69/62/219096962.db2.gz	FNNWAQYAEWAHFA-IGXNXKSNSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1O	ZINC000003547018	210051717	/nfs/dbraw/zinc/05/17/17/210051717.db2.gz	VHRDNAFMCHWDDT-RDFMZFSFSA-N	-1	1	336.727	2.282	50	30		EEEAMM
C=C(C)COc1cccc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])c1	ZINC000055199531	214287010	/nfs/dbraw/zinc/28/70/10/214287010.db2.gz	HWMAKPLEUVEIRG-MRXNPFEDSA-N	-1	1	341.367	2.016	50	30		EEEAMM
COc1cccc(/C=C2\[N-]S(=O)(=O)c3ccccc3C2=O)c1OC	ZINC000009421828	278007091	/nfs/dbraw/zinc/00/70/91/278007091.db2.gz	OFDWQDRHBZBOHY-RAXLEYEMSA-N	-1	1	345.376	2.220	50	30		EEEAMM
CN(C)c1ccc(/C=C2\[N-]S(=O)(=O)c3ccccc3C2=O)cc1	ZINC000013681740	462900080	/nfs/dbraw/zinc/90/00/80/462900080.db2.gz	TZUPWQYBQUBAOK-PTNGSMBKSA-N	-1	1	328.393	2.268	50	30		EEEAMM
C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)C(=O)[N-]C1=S	ZINC000016511212	1227497940	/nfs/dbraw/zinc/49/79/40/1227497940.db2.gz	CLHOMIRRHFTDEW-QINSGFPZSA-N	-1	1	343.452	2.346	50	30		EEEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(OC(C)C)cc1	ZINC000012651122	795635917	/nfs/dbraw/zinc/63/59/17/795635917.db2.gz	AJUFRNLOQAHIQY-SGPNVBEDSA-N	-1	1	349.412	2.260	50	30		EEEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000000079051	462541211	/nfs/dbraw/zinc/54/12/11/462541211.db2.gz	FKXMLLYKADPKNS-GFCCVEGCSA-N	-1	1	340.408	2.451	50	30		EEEAMM
CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC	ZINC000105463251	1204838480	/nfs/dbraw/zinc/83/84/80/1204838480.db2.gz	RFEVITWRTKVCHT-XTKXOIQPSA-N	-1	1	330.336	2.322	50	30		EEEAMM
CC1(C#N)CCN(c2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CC1	ZINC000095521022	273578502	/nfs/dbraw/zinc/57/85/02/273578502.db2.gz	DLRDXKKLNXSCNF-UHFFFAOYSA-N	-1	1	336.395	2.383	50	30		EEEAMM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000010515440	211179078	/nfs/dbraw/zinc/17/90/78/211179078.db2.gz	XLRMMPMLBYEKPS-UHFFFAOYSA-N	-1	1	329.381	2.061	50	30		EEEAMM
CCCCOc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006480832	520855975	/nfs/dbraw/zinc/85/59/75/520855975.db2.gz	RVOMZLJKDLSPIS-VGSSETLESA-N	-1	1	349.412	2.262	50	30		EEEAMM
COc1ccc2c(=O)c(C=Nc3cc(=O)[n-]c(=S)[nH]3)coc2c1	ZINC000100750589	219105818	/nfs/dbraw/zinc/10/58/18/219105818.db2.gz	OYHOCVJWMNVIOK-OMCISZLKSA-N	-1	1	329.337	2.298	50	30	biogenic	EEEAMM
CCCOc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000006779040	462704166	/nfs/dbraw/zinc/70/41/66/462704166.db2.gz	KMVAFZSUNQYANV-SGPNVBEDSA-N	-1	1	349.412	2.262	50	30		EEEAMM
CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000067947967	215258003	/nfs/dbraw/zinc/25/80/03/215258003.db2.gz	WKXLIAKTHTUMHO-ZDUSSCGKSA-N	-1	1	339.399	2.273	50	30		EEEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/n2cnnc2)cc1	ZINC000000052153	209391383	/nfs/dbraw/zinc/39/13/83/209391383.db2.gz	SPZUWGYEIPHBHM-VXLYETTFSA-N	-1	1	341.396	2.270	50	30		EEEAMM
N#Cc1ccc([O-])c(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)c1	ZINC000244778657	243079371	/nfs/dbraw/zinc/07/93/71/243079371.db2.gz	PUISQNBEKOABJB-UHFFFAOYSA-N	-1	1	349.390	2.268	50	30		EEEAMM
COc1ccc(C=NNc2nc3ccccc3c(=O)n2[O-])cc1OC	ZINC000005341683	462655663	/nfs/dbraw/zinc/65/56/63/462655663.db2.gz	FUNGVAKAOKDPJC-VCHYOVAHSA-N	-1	1	340.339	2.097	50	30		EEEAMM
CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970767	463393616	/nfs/dbraw/zinc/39/36/16/463393616.db2.gz	VJXREUVHQVURMO-UABRLCRWSA-N	-1	1	330.336	2.322	50	30		EEEAMM
COc1cc(C#N)c(/N=C/c2c([O-])c(C)ncc2CO)cc1OC	ZINC000067240604	215127427	/nfs/dbraw/zinc/12/74/27/215127427.db2.gz	RWDHBSYILOAGGC-DNTJNYDQSA-N	-1	1	327.340	2.227	50	30		EEEAMM
C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000023371048	212372822	/nfs/dbraw/zinc/37/28/22/212372822.db2.gz	LUWLVGKYIWABNE-UHFFFAOYSA-N	-1	1	331.349	2.176	50	30		EEEAMM
CCN(CC)C(=O)CSc1nnc(NN=Cc2ccc(C)o2)[n-]1	ZINC000007263519	520492468	/nfs/dbraw/zinc/49/24/68/520492468.db2.gz	UKDWICPVQKSLGF-OVCLIPMQSA-N	-1	1	336.421	2.113	50	30		EEEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1cc2ccccc2cc1[O-]	ZINC000006588982	462692152	/nfs/dbraw/zinc/69/21/52/462692152.db2.gz	DTTNBIJCXNDWDP-UHFFFAOYSA-N	-1	1	335.367	2.085	50	30		EEEAMM
CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC	ZINC000105463253	1204838065	/nfs/dbraw/zinc/83/80/65/1204838065.db2.gz	RFEVITWRTKVCHT-WVRJYTFGSA-N	-1	1	330.336	2.322	50	30		EEEAMM
O=C([O-])CC1S/C(=N\N=C\c2ccc(Cl)cc2Cl)NC1=O	ZINC000004303525	210165265	/nfs/dbraw/zinc/16/52/65/210165265.db2.gz	XTVGVJFQQSHQFP-XDDINVHESA-N	-1	1	346.195	2.390	50	30		EEEAMM
C=CCN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)[N-]C1=S	ZINC000020807364	212173980	/nfs/dbraw/zinc/17/39/80/212173980.db2.gz	JVMMSFURFCQBOS-CSNJMMPQSA-N	-1	1	341.436	2.122	50	30		EEEAMM
C=CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970755	463392982	/nfs/dbraw/zinc/39/29/82/463392982.db2.gz	ZATMQEBIPALTJS-LZCIBIBXSA-N	-1	1	342.347	2.488	50	30		EEEAMM
COc1ccc(C(C)=NNc2nnc(SCC#N)[n-]2)cc1OC	ZINC000006854970	523364642	/nfs/dbraw/zinc/36/46/42/523364642.db2.gz	JLKGWSYLQNWGNW-MFOYZWKCSA-N	-1	1	332.389	2.274	50	30		EEEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(OC(C)C)cc1	ZINC000004825508	210288792	/nfs/dbraw/zinc/28/87/92/210288792.db2.gz	AJUFRNLOQAHIQY-VQIMKDEXSA-N	-1	1	349.412	2.260	50	30		EEEAMM
COc1ccc(C(C)=NNc2nnc(SCC#N)[n-]2)c(OC)c1	ZINC000253470687	465015321	/nfs/dbraw/zinc/01/53/21/465015321.db2.gz	IDJUFFVJVXWFCY-UHFFFAOYSA-N	-1	1	332.389	2.274	50	30		EEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(O)c1)CC(=O)N2	ZINC000021784031	212249218	/nfs/dbraw/zinc/24/92/18/212249218.db2.gz	RLUASWJOULVPRH-SECBINFHSA-N	-1	1	345.380	2.346	50	30		EEEAMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCN(c2cnccn2)C1	ZINC000037171562	132393296	/nfs/dbraw/zinc/39/32/96/132393296.db2.gz	KIGKXHFDUVSBJG-MRVPVSSYSA-N	-1	1	341.297	2.118	50	30		EEEAMM
CCNC([O-])=NS(=O)(=O)c1cnccc1Nc1cccc(C)c1	ZINC000095908844	463108632	/nfs/dbraw/zinc/10/86/32/463108632.db2.gz	ZPXQRKMODMEHCM-UHFFFAOYSA-N	-1	1	334.401	2.346	50	30		EEEAMM
CCNC(=O)N=S(=O)([O-])c1cnccc1Nc1cccc(C)c1	ZINC000095908844	463108637	/nfs/dbraw/zinc/10/86/37/463108637.db2.gz	ZPXQRKMODMEHCM-UHFFFAOYSA-N	-1	1	334.401	2.346	50	30		EEEAMM
CCc1cn[nH]c1C1CCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)CC1	ZINC000067934056	215253530	/nfs/dbraw/zinc/25/35/30/215253530.db2.gz	OWZUDGQJGSHMOT-UHFFFAOYSA-N	-1	1	339.399	2.273	50	30		EEEAMM
O=C1Nc2ccccc2C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000015773562	275024940	/nfs/dbraw/zinc/02/49/40/275024940.db2.gz	AFHKABYLKKFVNS-UHFFFAOYSA-N	-1	1	327.256	2.271	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)o1	ZINC000102917343	463391863	/nfs/dbraw/zinc/39/18/63/463391863.db2.gz	UCAXITYQETVWCM-GWQWAINWSA-N	-1	1	348.738	2.339	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)o1	ZINC000033881361	792395417	/nfs/dbraw/zinc/39/54/17/792395417.db2.gz	KSFFOZCUBWSLPM-PKXJPQMGSA-N	-1	1	335.699	2.476	50	30		EEEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2	ZINC000000079054	462541304	/nfs/dbraw/zinc/54/13/04/462541304.db2.gz	FKXMLLYKADPKNS-LBPRGKRZSA-N	-1	1	340.408	2.451	50	30		EEEAMM
CCCc1cc(=O)[n-]c(NN=Cc2ccc(OC)c([N+](=O)[O-])c2)n1	ZINC000003947100	462626717	/nfs/dbraw/zinc/62/67/17/462626717.db2.gz	IPHIBKPLWPIGFS-CXUHLZMHSA-N	-1	1	331.332	2.085	50	30		EEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1	ZINC000007726757	462747377	/nfs/dbraw/zinc/74/73/77/462747377.db2.gz	GPFRMFYEOSMZQC-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
Cc1nn(C(N)=S)c([O-])c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N	ZINC000006556324	462691005	/nfs/dbraw/zinc/69/10/05/462691005.db2.gz	MVRIBBSKOVPODF-CYBMUJFWSA-N	-1	1	345.815	2.437	50	30		EEEAMM
CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000102970765	463393602	/nfs/dbraw/zinc/39/36/02/463393602.db2.gz	VJXREUVHQVURMO-QQOXCAACSA-N	-1	1	330.336	2.322	50	30		EEEAMM
C=CCOc1ccc(Br)cc1/C=C1\NC(=S)[N-]C1=O	ZINC000004093725	519019028	/nfs/dbraw/zinc/01/90/28/519019028.db2.gz	DPDGOPZCCCNPDV-YFHOEESVSA-N	-1	1	339.214	2.359	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)o1	ZINC000033881360	792394555	/nfs/dbraw/zinc/39/45/55/792394555.db2.gz	KSFFOZCUBWSLPM-MFBWXBCUSA-N	-1	1	335.699	2.476	50	30		EEEAMM
N#Cc1ccccc1NC(=O)c1c([O-])n2c3c(cccc3c1=O)CC2	ZINC000001307681	462578998	/nfs/dbraw/zinc/57/89/98/462578998.db2.gz	NNLKRINYTBBUIS-UHFFFAOYSA-N	-1	1	331.331	2.387	50	30		EEEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(CCOC)c2C)C(=O)[N-]C1=S	ZINC000002233353	462591494	/nfs/dbraw/zinc/59/14/94/462591494.db2.gz	UGKHROOPTYBWEM-GXDHUFHOSA-N	-1	1	347.440	2.404	50	30		EEEAMM
C#CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1	ZINC000008710340	462792303	/nfs/dbraw/zinc/79/23/03/462792303.db2.gz	NJMATIRONGJFON-UHFFFAOYSA-N	-1	1	342.420	2.467	50	30		EEEAMM
N#CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1	ZINC000020725491	202053290	/nfs/dbraw/zinc/05/32/90/202053290.db2.gz	PYSKRYZIAWMFDU-MRXNPFEDSA-N	-1	1	346.818	2.478	50	30		EEEAMM
O=C([O-])CC1S/C(=N\c2ccc(Br)cc2)NC1=O	ZINC000015015073	462938514	/nfs/dbraw/zinc/93/85/14/462938514.db2.gz	OPEIXTBPYIKSTI-QMMMGPOBSA-N	-1	1	329.175	2.143	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccccn3)n2)c(=O)o1	ZINC000102500669	463387799	/nfs/dbraw/zinc/38/77/99/463387799.db2.gz	WKPVLWRYSFDOFX-LLYBFZRZSA-N	-1	1	340.360	2.433	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(F)c1F)CC(=O)N2	ZINC000021784884	212250693	/nfs/dbraw/zinc/25/06/93/212250693.db2.gz	XROWQQSQLAFLJO-VIFPVBQESA-N	-1	1	347.346	2.248	50	30		EEEAMM
COc1cc(Br)cc(C=Nn2cn[n-]c2=S)c1O	ZINC000000534466	462569534	/nfs/dbraw/zinc/56/95/34/462569534.db2.gz	UWPOCJHBDJAXER-YIXHJXPBSA-N	-1	1	329.179	2.300	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329424	463377453	/nfs/dbraw/zinc/37/74/53/463377453.db2.gz	NWUXBZWNOPUFOF-QIIPPGSGSA-N	-1	1	346.358	2.039	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(=O)o1	ZINC000101006963	690074105	/nfs/dbraw/zinc/07/41/05/690074105.db2.gz	UGYBOUFCZMJYNG-LKGOPFMKSA-N	-1	1	336.347	2.160	50	30		EEEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O	ZINC000004755495	462637138	/nfs/dbraw/zinc/63/71/38/462637138.db2.gz	LMFYAHFCNVJFQC-SDUWKLLGSA-N	-1	1	346.195	2.390	50	30		EEEAMM
COC(=O)[C@@H]1C(=O)C(=C([O-])C=Cc2ccccc2)C(=O)CC1(C)C	ZINC000100319748	219097041	/nfs/dbraw/zinc/09/70/41/219097041.db2.gz	FNNWAQYAEWAHFA-MTQIJDFFSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
COC(=O)[C@@H]1C(=O)C(C(=O)C=Cc2ccccc2)=C([O-])CC1(C)C	ZINC000100319748	219097043	/nfs/dbraw/zinc/09/70/43/219097043.db2.gz	FNNWAQYAEWAHFA-MTQIJDFFSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)o1	ZINC000003299573	210000979	/nfs/dbraw/zinc/00/09/79/210000979.db2.gz	KSFFOZCUBWSLPM-KQIUPUNMSA-N	-1	1	335.699	2.476	50	30		EEEAMM
C=CCOc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cccc1OC	ZINC000009235225	211056725	/nfs/dbraw/zinc/05/67/25/211056725.db2.gz	ZQAJREPFEMZQPA-BQYQJAHWSA-N	-1	1	345.311	2.128	50	30		EEEAMM
C[C@@H](O)c1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1	ZINC000000000374	462539874	/nfs/dbraw/zinc/53/98/74/462539874.db2.gz	VQDAEOYLIBGCHE-LLVKDONJSA-N	-1	1	326.418	2.265	50	30	world	EEEAMM
C[C@@H](O)c1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1	ZINC000000000374	462539876	/nfs/dbraw/zinc/53/98/76/462539876.db2.gz	VQDAEOYLIBGCHE-LLVKDONJSA-N	-1	1	326.418	2.265	50	30	world	EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1F)CC(=O)N2	ZINC000004944212	210333992	/nfs/dbraw/zinc/33/39/92/210333992.db2.gz	KNMNRFLYYQUELH-SNVBAGLBSA-N	-1	1	329.356	2.108	50	30		EEEAMM
N#Cc1ccnc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c1	ZINC000030936711	463318472	/nfs/dbraw/zinc/31/84/72/463318472.db2.gz	YYTTUWWRWFJQCF-UHFFFAOYSA-N	-1	1	342.786	2.275	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329415	463377467	/nfs/dbraw/zinc/37/74/67/463377467.db2.gz	KKHJGBIRUSYQPY-QIIPPGSGSA-N	-1	1	346.358	2.039	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329411	463377497	/nfs/dbraw/zinc/37/74/97/463377497.db2.gz	KKHJGBIRUSYQPY-DHSIGJKJSA-N	-1	1	346.358	2.039	50	30		EEEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O	ZINC000004755894	210271699	/nfs/dbraw/zinc/27/16/99/210271699.db2.gz	AYKKHBDSONULFU-PXWMTNQWSA-N	-1	1	345.302	2.102	50	30		EEEAMM
CN(C)C1=C(C(=O)c2ccccc2)[N-]S(=O)(=O)c2ccccc21	ZINC000000507468	289062703	/nfs/dbraw/zinc/06/27/03/289062703.db2.gz	NXPOAQIZVCLZIW-UHFFFAOYSA-N	-1	1	328.393	2.092	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)o1	ZINC000102917347	463392487	/nfs/dbraw/zinc/39/24/87/463392487.db2.gz	UCAXITYQETVWCM-MPNWYJEXSA-N	-1	1	348.738	2.339	50	30		EEEAMM
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000022514474	212303898	/nfs/dbraw/zinc/30/38/98/212303898.db2.gz	JCGCTAVSXJIQQL-UHFFFAOYSA-N	-1	1	329.381	2.061	50	30		EEEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1	ZINC000001424659	462581259	/nfs/dbraw/zinc/58/12/59/462581259.db2.gz	OPPGPVOGOLBNRR-UHFFFAOYSA-N	-1	1	345.405	2.456	50	30		EEEAMM
C=CCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c1=O	ZINC000009096441	211040192	/nfs/dbraw/zinc/04/01/92/211040192.db2.gz	BYIXFABBIRMBAF-UHFFFAOYSA-N	-1	1	340.427	2.142	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000006752708	462703018	/nfs/dbraw/zinc/70/30/18/462703018.db2.gz	GKZRDJYXWGJUDF-QOKNQOGYSA-N	-1	1	342.395	2.208	50	30		EEEAMM
C[C@@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1	ZINC000071404089	463415268	/nfs/dbraw/zinc/41/52/68/463415268.db2.gz	AUOYCUZOBQYMKO-JTQLQIEISA-N	-1	1	343.412	2.167	50	30		EEEAMM
COc1ccc(C(C)=NNc2nnc(SCC#N)[n-]2)cc1OC	ZINC000020608317	523364251	/nfs/dbraw/zinc/36/42/51/523364251.db2.gz	JLKGWSYLQNWGNW-RQZCQDPDSA-N	-1	1	332.389	2.274	50	30		EEEAMM
O=C([O-])CC1S/C(=N\N=C\c2ccc(Cl)cc2Cl)NC1=O	ZINC000001231880	462578218	/nfs/dbraw/zinc/57/82/18/462578218.db2.gz	XTVGVJFQQSHQFP-DXLPTXHLSA-N	-1	1	346.195	2.390	50	30		EEEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(OC(C)C)cc1	ZINC000012651118	795636572	/nfs/dbraw/zinc/63/65/72/795636572.db2.gz	AJUFRNLOQAHIQY-HVOBPNNYSA-N	-1	1	349.412	2.260	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1F)CC(=O)N2	ZINC000021784906	212249813	/nfs/dbraw/zinc/24/98/13/212249813.db2.gz	KJNGPVOZSDKCRR-JTQLQIEISA-N	-1	1	347.346	2.248	50	30		EEEAMM
COc1ccc2[n-]cc(S(=O)(=O)c3ccc(C#N)cc3)c(=O)c2c1	ZINC000015828918	462964625	/nfs/dbraw/zinc/96/46/25/462964625.db2.gz	KSXBBWHAWAJWLQ-UHFFFAOYSA-N	-1	1	340.360	2.241	50	30		EEEAMM
COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c([O-])c2c1	ZINC000015828918	462964635	/nfs/dbraw/zinc/96/46/35/462964635.db2.gz	KSXBBWHAWAJWLQ-UHFFFAOYSA-N	-1	1	340.360	2.241	50	30		EEEAMM
CC[C@@H](Sc1nc(C)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N	ZINC000018094137	463005622	/nfs/dbraw/zinc/00/56/22/463005622.db2.gz	LXEAHMJGOWNALV-CYBMUJFWSA-N	-1	1	328.397	2.459	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccccn3)n2)c(=O)o1	ZINC000104300789	463411277	/nfs/dbraw/zinc/41/12/77/463411277.db2.gz	WKPVLWRYSFDOFX-YVACAVLKSA-N	-1	1	340.360	2.433	50	30		EEEAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC000011905447	211266135	/nfs/dbraw/zinc/26/61/35/211266135.db2.gz	KJCBTEYULGYUNC-UHFFFAOYSA-N	-1	1	346.437	2.231	50	30		EEEAMM
CCOc1cc(C=NC(=S)Nc2nc(C)cc(=O)[n-]2)ccc1O	ZINC000095851129	441953597	/nfs/dbraw/zinc/95/35/97/441953597.db2.gz	JQEFNLWQZRMZSD-LZYBPNLTSA-N	-1	1	332.385	2.411	50	30		EEEAMM
COC(=O)CSc1nc(N)c(C#N)c(-c2ccc([O-])cc2)c1C#N	ZINC000020813967	212174015	/nfs/dbraw/zinc/17/40/15/212174015.db2.gz	XYKMQJNWTDLWSQ-UHFFFAOYSA-N	-1	1	340.364	2.045	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)[C@H](C#N)c2nc(C)cs2)n1	ZINC000014136159	521343120	/nfs/dbraw/zinc/34/31/20/521343120.db2.gz	JMGOAANNGCHLKO-NSHDSACASA-N	-1	1	348.453	2.456	50	30		EEEAMM
Cc1sc2[n-]c([C@H](C#N)C(=O)NCc3ccco3)nc(=O)c2c1C	ZINC000122064845	222007971	/nfs/dbraw/zinc/00/79/71/222007971.db2.gz	LPGNXXLNTKOIGI-NSHDSACASA-N	-1	1	342.380	2.118	50	30		EEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(O)c1)CC(=O)N2	ZINC000006748280	462703371	/nfs/dbraw/zinc/70/33/71/462703371.db2.gz	WDBOLIXHLVRHOL-NSHDSACASA-N	-1	1	329.381	2.228	50	30		EEEAMM
C=CCN1C(=O)C(=Cc2cc(C)n(CCOC)c2C)C(=O)[N-]C1=S	ZINC000017208322	462997380	/nfs/dbraw/zinc/99/73/80/462997380.db2.gz	UGKHROOPTYBWEM-UVTDQMKNSA-N	-1	1	347.440	2.404	50	30		EEEAMM
Cc1sc2[n-]c([C@@H](C#N)C(=O)NCc3ccco3)nc(=O)c2c1C	ZINC000122064646	463236682	/nfs/dbraw/zinc/23/66/82/463236682.db2.gz	LPGNXXLNTKOIGI-LLVKDONJSA-N	-1	1	342.380	2.118	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1F)CC(=O)N2	ZINC000021784909	212249966	/nfs/dbraw/zinc/24/99/66/212249966.db2.gz	KJNGPVOZSDKCRR-SNVBAGLBSA-N	-1	1	347.346	2.248	50	30		EEEAMM
COC(=O)[C@H]1C(=O)C(=C([O-])C=Cc2ccccc2)C(=O)CC1(C)C	ZINC000100319738	219096871	/nfs/dbraw/zinc/09/68/71/219096871.db2.gz	FNNWAQYAEWAHFA-UETGSQEOSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
COC(=O)[C@H]1C(=O)C(C(=O)C=Cc2ccccc2)=C([O-])CC1(C)C	ZINC000100319738	219096874	/nfs/dbraw/zinc/09/68/74/219096874.db2.gz	FNNWAQYAEWAHFA-UETGSQEOSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1F)CC(=O)N2	ZINC000021784887	212250564	/nfs/dbraw/zinc/25/05/64/212250564.db2.gz	XROWQQSQLAFLJO-SECBINFHSA-N	-1	1	347.346	2.248	50	30		EEEAMM
COC(=O)[C@H]1C(=O)C(=C([O-])C=Cc2ccccc2)C(=O)CC1(C)C	ZINC000100319733	219096837	/nfs/dbraw/zinc/09/68/37/219096837.db2.gz	FNNWAQYAEWAHFA-DMGQIGSTSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
COC(=O)[C@H]1C(=O)C(C(=O)C=Cc2ccccc2)=C([O-])CC1(C)C	ZINC000100319733	219096840	/nfs/dbraw/zinc/09/68/40/219096840.db2.gz	FNNWAQYAEWAHFA-DMGQIGSTSA-N	-1	1	328.364	2.242	50	30	biogenic	EEEAMM
CCOC(=O)[N-]C(=O)C(=NNc1cccc(C(F)(F)F)c1)C(C)=O	ZINC000015923842	462966928	/nfs/dbraw/zinc/96/69/28/462966928.db2.gz	BLLMAMUKQKYCAY-RGVLZGJSSA-N	-1	1	345.277	2.335	50	30		EEEAMM
C=C(C)COc1cccc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])c1	ZINC000055199533	214287378	/nfs/dbraw/zinc/28/73/78/214287378.db2.gz	HWMAKPLEUVEIRG-INIZCTEOSA-N	-1	1	341.367	2.016	50	30		EEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nnc(C3CC3)s2)cc1	ZINC000004110339	210121567	/nfs/dbraw/zinc/12/15/67/210121567.db2.gz	XKPZXMSCVOBUFM-UHFFFAOYSA-N	-1	1	338.414	2.439	50	30		EEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2nnc(C3CC3)s2)cc1	ZINC000004110339	210121572	/nfs/dbraw/zinc/12/15/72/210121572.db2.gz	XKPZXMSCVOBUFM-UHFFFAOYSA-N	-1	1	338.414	2.439	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000008931592	211019918	/nfs/dbraw/zinc/01/99/18/211019918.db2.gz	FWSOGIBZAWIDFV-UHFFFAOYSA-N	-1	1	328.397	2.325	50	30		EEEAMM
C=CCc1cc(OC)ccc1OCCSc1nc(N)cc(=O)[n-]1	ZINC000016527069	519131495	/nfs/dbraw/zinc/13/14/95/519131495.db2.gz	LWISCXURSQZTBB-UHFFFAOYSA-N	-1	1	333.413	2.260	50	30		EEEAMM
CCCCCCCCN1C(=O)C(=CNCCC)C(=O)[N-]C1=S	ZINC000105490534	684692793	/nfs/dbraw/zinc/69/27/93/684692793.db2.gz	IEDLDNODCYLHDO-OUKQBFOZSA-N	-1	1	325.478	2.474	50	30		EEEAMM
Cc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccccc2)n1	ZINC000015379026	526120156	/nfs/dbraw/zinc/12/01/56/526120156.db2.gz	IFXLKJUKFSTLSN-UHFFFAOYSA-N	-1	1	328.397	2.117	50	30		EEEAMM
CCOC(=O)[N-]C(=O)C(=NNc1ccc(C(F)(F)F)cc1)C(C)=O	ZINC000013144682	462885952	/nfs/dbraw/zinc/88/59/52/462885952.db2.gz	UOSHAPLWJROMBT-JAIQZWGSSA-N	-1	1	345.277	2.335	50	30		EEEAMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000007050583	462719928	/nfs/dbraw/zinc/71/99/28/462719928.db2.gz	DUIHFJRGJAFKFI-UHFFFAOYSA-N	-1	1	330.365	2.454	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc3c(c(Cl)c2)OCO3)c(=O)o1	ZINC000024002488	680078177	/nfs/dbraw/zinc/07/81/77/680078177.db2.gz	IOWGXARUWVWCCY-BAABZTOOSA-N	-1	1	334.711	2.297	50	30		EEEAMM
C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000012343032	211352546	/nfs/dbraw/zinc/35/25/46/211352546.db2.gz	VYKAUZXSJNDTEF-JYMRLUDQSA-N	-1	1	325.777	2.126	50	30		EEEAMM
COc1cc([N+](=O)[O-])cc(C=NNc2ccccc2C(=O)[O-])c1O	ZINC000035240400	213015814	/nfs/dbraw/zinc/01/58/14/213015814.db2.gz	HKBHTRGHZLSZSR-LZYBPNLTSA-N	-1	1	331.284	2.453	50	30		EEEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1cccc(F)c1	ZINC000104228303	463410391	/nfs/dbraw/zinc/41/03/91/463410391.db2.gz	XNWMSZSBJRMPSL-AWQFTUOYSA-N	-1	1	343.289	2.260	50	30		EEEAMM
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OC)C(=O)[N-]C1=S	ZINC000004723756	210260113	/nfs/dbraw/zinc/26/01/13/210260113.db2.gz	XVDHJOLUGAGKFM-DHZHZOJOSA-N	-1	1	336.800	2.161	50	30		EEEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000004706287	210255134	/nfs/dbraw/zinc/25/51/34/210255134.db2.gz	RQKHLSGJGSNWLB-UHFFFAOYSA-N	-1	1	330.365	2.325	50	30		EEEAMM
Cc1ccc2nc(C3=C(N)N(c4ccc(C(=O)[O-])cc4)CC3=O)[nH]c2c1	ZINC000005182861	292389924	/nfs/dbraw/zinc/38/99/24/292389924.db2.gz	GWUVXXWYUZOXSB-UHFFFAOYSA-N	-1	1	348.362	2.286	50	30		EEEAMM
C=CCn1c(C)c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000000444323	462563739	/nfs/dbraw/zinc/56/37/39/462563739.db2.gz	LVBFISRNKUSKHO-UHFFFAOYSA-N	-1	1	325.393	2.050	50	30		EEEAMM
CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004184476	520911968	/nfs/dbraw/zinc/91/19/68/520911968.db2.gz	AJMQSRHRBJMKLO-VGSSETLESA-N	-1	1	349.412	2.262	50	30		EEEAMM
N#CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1	ZINC000020725486	202053923	/nfs/dbraw/zinc/05/39/23/202053923.db2.gz	PYSKRYZIAWMFDU-INIZCTEOSA-N	-1	1	346.818	2.478	50	30		EEEAMM
C=CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000013546648	258017626	/nfs/dbraw/zinc/01/76/26/258017626.db2.gz	OIFKVTYXFHRYIP-LCYFTJDESA-N	-1	1	325.393	2.289	50	30		EEEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000007276669	462728137	/nfs/dbraw/zinc/72/81/37/462728137.db2.gz	XVRMQSDOQVSPLG-GFCCVEGCSA-N	-1	1	340.408	2.451	50	30		EEEAMM
Cc1ccc(C(=O)[O-])cc1-n1cc(O)c(-c2nc3ccccc3[nH]2)c1N	ZINC000008844123	462796575	/nfs/dbraw/zinc/79/65/75/462796575.db2.gz	WBVDKHMHBGUFDW-UHFFFAOYSA-N	-1	1	348.362	2.286	50	30		EEEAMM
C=CCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[n-]c1=O	ZINC000009095252	211038918	/nfs/dbraw/zinc/03/89/18/211038918.db2.gz	VDYIURGUFPBBGO-UHFFFAOYSA-N	-1	1	340.427	2.142	50	30		EEEAMM
Cn1[n-]c(C(F)(F)F)c(C=NNc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000006320514	462682344	/nfs/dbraw/zinc/68/23/44/462682344.db2.gz	WEUHTUXZDNYESE-OMCISZLKSA-N	-1	1	329.238	2.499	50	30		EEEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1	ZINC000007708619	462747460	/nfs/dbraw/zinc/74/74/60/462747460.db2.gz	LONDILBBINQNQD-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(=O)o1	ZINC000102216587	1198639181	/nfs/dbraw/zinc/63/91/81/1198639181.db2.gz	UGYBOUFCZMJYNG-JTHGQSKGSA-N	-1	1	336.347	2.160	50	30		EEEAMM
Cc1ccccc1N=Cc1c([O-])n(-c2ccc(F)cc2)c(=O)[nH]c1=O	ZINC000101597234	463379582	/nfs/dbraw/zinc/37/95/82/463379582.db2.gz	NYFHYUJWJNXSMH-KEBDBYFISA-N	-1	1	339.326	2.430	50	30		EEEAMM
CCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC	ZINC000003560075	520617592	/nfs/dbraw/zinc/61/75/92/520617592.db2.gz	RFEVITWRTKVCHT-UABRLCRWSA-N	-1	1	330.336	2.322	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cc3c(c(Cl)c2)OCO3)c(=O)o1	ZINC000024002490	202111232	/nfs/dbraw/zinc/11/12/32/202111232.db2.gz	IOWGXARUWVWCCY-HSWBROFVSA-N	-1	1	334.711	2.297	50	30		EEEAMM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1sccc1-n1cnnn1	ZINC000123042799	463312228	/nfs/dbraw/zinc/31/22/28/463312228.db2.gz	MEZVRROXARKYSN-JTQLQIEISA-N	-1	1	349.379	2.101	50	30		EEEAMM
COc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@H](C)C2	ZINC000103404915	1204571012	/nfs/dbraw/zinc/57/10/12/1204571012.db2.gz	PFMMDCNRVMMRPK-SUEOZMCXSA-N	-1	1	342.347	2.247	50	30		EEEAMM
C=CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC	ZINC000028605442	201387953	/nfs/dbraw/zinc/38/79/53/201387953.db2.gz	ZATMQEBIPALTJS-SUQGKYDKSA-N	-1	1	342.347	2.488	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(F)ccc1F)CC(=O)N2	ZINC000021784970	212249827	/nfs/dbraw/zinc/24/98/27/212249827.db2.gz	NCHZNYLQRMMBDD-SNVBAGLBSA-N	-1	1	347.346	2.248	50	30		EEEAMM
N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000023718203	463070010	/nfs/dbraw/zinc/07/00/10/463070010.db2.gz	XYEREXSHLWYGKS-UHFFFAOYSA-N	-1	1	342.786	2.275	50	30		EEEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	ZINC000007276675	295687667	/nfs/dbraw/zinc/68/76/67/295687667.db2.gz	XVRMQSDOQVSPLG-LBPRGKRZSA-N	-1	1	340.408	2.451	50	30		EEEAMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2oc1=O	ZINC000036148330	213073339	/nfs/dbraw/zinc/07/33/39/213073339.db2.gz	XQDHFBPOBFOMQN-UHFFFAOYSA-N	-1	1	343.364	2.287	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2	ZINC000021784814	212250613	/nfs/dbraw/zinc/25/06/13/212250613.db2.gz	AIVLLHGDVLAZRY-NSHDSACASA-N	-1	1	347.346	2.248	50	30		EEEAMM
COc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@@H](C)C2	ZINC000103404918	1204571041	/nfs/dbraw/zinc/57/10/41/1204571041.db2.gz	PFMMDCNRVMMRPK-CNPUDQKYSA-N	-1	1	342.347	2.247	50	30		EEEAMM
Cc1ccc(N=Cc2c([O-])n(-c3ccc(F)cc3)c(=O)[nH]c2=O)cc1	ZINC000100967379	219112784	/nfs/dbraw/zinc/11/27/84/219112784.db2.gz	NJQWAILGBVBJOL-KEBDBYFISA-N	-1	1	339.326	2.430	50	30		EEEAMM
COC(=O)N=S(=O)([O-])c1ccc(N=NN2CCCCC2)cc1	ZINC000000306366	462553546	/nfs/dbraw/zinc/55/35/46/462553546.db2.gz	SSTCHWCJKLFQTA-JQIJEIRASA-N	-1	1	326.378	2.420	50	30		EEEAMM
COC(=O)[N-]S(=O)(=O)c1ccc(N=NN2CCCCC2)cc1	ZINC000000306366	462553552	/nfs/dbraw/zinc/55/35/52/462553552.db2.gz	SSTCHWCJKLFQTA-JQIJEIRASA-N	-1	1	326.378	2.420	50	30		EEEAMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)o1	ZINC000032801390	463395051	/nfs/dbraw/zinc/39/50/51/463395051.db2.gz	ZUACPEZCZHQLBY-UHFFFAOYSA-N	-1	1	347.396	2.480	50	30		EEEAMM
CCCOc1ccc(/C(C)=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004833754	520318125	/nfs/dbraw/zinc/31/81/25/520318125.db2.gz	KMVAFZSUNQYANV-CCOVPTLTSA-N	-1	1	349.412	2.262	50	30		EEEAMM
COc1cc(C=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000011903700	211266196	/nfs/dbraw/zinc/26/61/96/211266196.db2.gz	KIQAMSFVCWTVTA-LZYBPNLTSA-N	-1	1	331.284	2.453	50	30		EEEAMM
O=C([O-])C(=CC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000004822099	210288148	/nfs/dbraw/zinc/28/81/48/210288148.db2.gz	QHLCBVUZHKMUCA-ZSOIEALJSA-N	-1	1	341.298	2.259	50	30		EEEAMM
Cc1c([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCC3)nn1C	ZINC000002779267	462602346	/nfs/dbraw/zinc/60/23/46/462602346.db2.gz	LQFQIYHOZWQVSK-UHFFFAOYSA-N	-1	1	331.357	2.311	50	30		EEEAMM
CC(C)(C)c1ccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000005563024	462662752	/nfs/dbraw/zinc/66/27/52/462662752.db2.gz	JFDDJSKMDIURAZ-UWONZBIMSA-N	-1	1	333.413	2.380	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000101329420	463377469	/nfs/dbraw/zinc/37/74/69/463377469.db2.gz	NWUXBZWNOPUFOF-DHSIGJKJSA-N	-1	1	346.358	2.039	50	30		EEEAMM
COc1cc(NC(=O)c2cccc(C#N)c2)ccc1[N-]S(C)(=O)=O	ZINC000032818595	463396145	/nfs/dbraw/zinc/39/61/45/463396145.db2.gz	VYPWAONQZHJWQD-UHFFFAOYSA-N	-1	1	345.380	2.191	50	30		EEEAMM
CC(C)OC(=O)c1ccc(-c2ccc(CN=Nc3nn[n-]n3)o2)cc1	ZINC000245228647	464469042	/nfs/dbraw/zinc/46/90/42/464469042.db2.gz	APRBAUGNCQXJFX-UHFFFAOYSA-N	-1	1	340.343	2.471	50	30		EEEAMM
C=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[n-]c1=O	ZINC000009096440	211040899	/nfs/dbraw/zinc/04/08/99/211040899.db2.gz	LSCCUSAQDBXVBZ-UHFFFAOYSA-N	-1	1	340.427	2.142	50	30		EEEAMM
O=C([O-])CC1S/C(=N\N=C\c2c(Cl)cccc2Cl)NC1=O	ZINC000005749278	462668168	/nfs/dbraw/zinc/66/81/68/462668168.db2.gz	AFVPZSNVBOVOOC-XDDINVHESA-N	-1	1	346.195	2.390	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)NC2(C#N)CCCCC2)n1	ZINC000011443578	521343322	/nfs/dbraw/zinc/34/33/22/521343322.db2.gz	FGILWSPITLQNEJ-UHFFFAOYSA-N	-1	1	334.445	2.157	50	30		EEEAMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2oc1=O	ZINC000036148332	213073163	/nfs/dbraw/zinc/07/31/63/213073163.db2.gz	INNRUYVCMFAMHU-UHFFFAOYSA-N	-1	1	343.364	2.287	50	30		EEEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O	ZINC000005649315	462666721	/nfs/dbraw/zinc/66/67/21/462666721.db2.gz	AYKKHBDSONULFU-CKOTXCHGSA-N	-1	1	345.302	2.102	50	30		EEEAMM
O=C([O-])CC1S/C(=N/N=C/c2c(Cl)cccc2Cl)NC1=O	ZINC000005749280	462668708	/nfs/dbraw/zinc/66/87/08/462668708.db2.gz	AFVPZSNVBOVOOC-DXLPTXHLSA-N	-1	1	346.195	2.390	50	30		EEEAMM
O=[N+]([O-])c1ccc(/C=N/N=C/c2cc([N+](=O)[O-])c(O)cc2[O-])cc1	ZINC000004705093	210255067	/nfs/dbraw/zinc/25/50/67/210255067.db2.gz	LWGFNUOLGFNTTP-BGPOSVGRSA-N	-1	1	330.256	2.367	50	30		EEEAMM
COc1ccc(C=NC(=S)Nc2nc(C)cc(=O)[n-]2)cc1OC	ZINC000006382150	440988858	/nfs/dbraw/zinc/98/88/58/440988858.db2.gz	BHILRPRUNFZQKX-LZYBPNLTSA-N	-1	1	332.385	2.324	50	30		EEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c1	ZINC000007612600	462742590	/nfs/dbraw/zinc/74/25/90/462742590.db2.gz	UJMPNRJUDSDLRK-UHFFFAOYSA-N	-1	1	341.392	2.486	50	30		EEEAMM
C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C	ZINC000013005562	462881964	/nfs/dbraw/zinc/88/19/64/462881964.db2.gz	UKVFPUJNASTRHW-UHFFFAOYSA-N	-1	1	346.383	2.298	50	30		EEEAMM
C=CCc1c(C)nc(SCc2nc3ccccc3c(=O)[nH]2)[n-]c1=O	ZINC000008667248	519120663	/nfs/dbraw/zinc/12/06/63/519120663.db2.gz	YBAOBIASXRKCPH-UHFFFAOYSA-N	-1	1	340.408	2.336	50	30		EEEAMM
CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000067947966	215257486	/nfs/dbraw/zinc/25/74/86/215257486.db2.gz	WKXLIAKTHTUMHO-CYBMUJFWSA-N	-1	1	339.399	2.273	50	30		EEEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1cc2ccccc2o1	ZINC000016136560	462970542	/nfs/dbraw/zinc/97/05/42/462970542.db2.gz	VUPQMUPQHFVPQF-DTOZUZIGSA-N	-1	1	331.353	2.219	50	30		EEEAMM
C=C(C)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1	ZINC000020718331	212163052	/nfs/dbraw/zinc/16/30/52/212163052.db2.gz	DXFWEXAITRLTLI-GOSISDBHSA-N	-1	1	343.427	2.496	50	30		EEEAMM
NC(=O)c1cc(C2=NN/C(=N\c3ccccc3)SC2)ccc1[O-]	ZINC000015404646	462951598	/nfs/dbraw/zinc/95/15/98/462951598.db2.gz	RRTYTVCFKOGZPL-UHFFFAOYSA-N	-1	1	326.381	2.219	50	30		EEEAMM
COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1	ZINC000026529446	463165851	/nfs/dbraw/zinc/16/58/51/463165851.db2.gz	NIAFJTSAYHVOLI-UHFFFAOYSA-N	-1	1	332.381	2.384	50	30		EEEAMM
O=C1[N-]C(=S)NC(=O)/C1=N\Nc1ccc(SC(F)F)cc1	ZINC000006017156	462675414	/nfs/dbraw/zinc/67/54/14/462675414.db2.gz	XKNUJXQZRHQQIA-UHFFFAOYSA-N	-1	1	330.341	2.140	50	30		EEEAMM
O=C1[N-]C(=S)NC(=O)/C1=N/Nc1ccc(SC(F)F)cc1	ZINC000006017156	462675416	/nfs/dbraw/zinc/67/54/16/462675416.db2.gz	XKNUJXQZRHQQIA-UHFFFAOYSA-N	-1	1	330.341	2.140	50	30		EEEAMM
C#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000012532650	462854076	/nfs/dbraw/zinc/85/40/76/462854076.db2.gz	JLFHBSYGWCVNFY-UHFFFAOYSA-N	-1	1	342.420	2.467	50	30		EEEAMM
CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000005061311	210380377	/nfs/dbraw/zinc/38/03/77/210380377.db2.gz	JFDDJSKMDIURAZ-UDPFGDFPSA-N	-1	1	333.413	2.380	50	30		EEEAMM
COC(=O)c1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000177927	462545339	/nfs/dbraw/zinc/54/53/39/462545339.db2.gz	XIONMPTXZOQNHA-UHFFFAOYSA-N	-1	1	348.380	2.496	50	30		EEEAMM
COC(=O)c1ccc(NC([O-])=NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000177927	462545343	/nfs/dbraw/zinc/54/53/43/462545343.db2.gz	XIONMPTXZOQNHA-UHFFFAOYSA-N	-1	1	348.380	2.496	50	30		EEEAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2C#N)n1	ZINC000008671534	462791013	/nfs/dbraw/zinc/79/10/13/462791013.db2.gz	HKZVCWOOYZCWNP-UHFFFAOYSA-N	-1	1	328.397	2.325	50	30		EEEAMM
CCCCCCCCN1C(=O)C(=CNCCC)C(=O)[N-]C1=S	ZINC000103009918	463393674	/nfs/dbraw/zinc/39/36/74/463393674.db2.gz	IEDLDNODCYLHDO-SEYXRHQNSA-N	-1	1	325.478	2.474	50	30		EEEAMM
C#CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OC	ZINC000005100243	518318575	/nfs/dbraw/zinc/31/85/75/518318575.db2.gz	OADLIDPYXNLJKR-ZROIWOOFSA-N	-1	1	345.380	2.352	50	30		EEEAMM
C#CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OC	ZINC000005100243	518318579	/nfs/dbraw/zinc/31/85/79/518318579.db2.gz	OADLIDPYXNLJKR-ZROIWOOFSA-N	-1	1	345.380	2.352	50	30		EEEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(F)cc(F)c1)CC(=O)N2	ZINC000021784818	212250755	/nfs/dbraw/zinc/25/07/55/212250755.db2.gz	AIVLLHGDVLAZRY-LLVKDONJSA-N	-1	1	347.346	2.248	50	30		EEEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c1	ZINC000012535991	258054538	/nfs/dbraw/zinc/05/45/38/258054538.db2.gz	SUXOTHXWCNKYDE-UHFFFAOYSA-N	-1	1	341.392	2.251	50	30		EEEAMM
CCOC(=O)[N-]C(=O)C(C#N)=NNc1cccc(C(F)(F)F)c1	ZINC000003129152	462611754	/nfs/dbraw/zinc/61/17/54/462611754.db2.gz	ABFCYVFMVBTIJS-KEBDBYFISA-N	-1	1	328.250	2.270	50	30		EEEAMM
Cc1ccc2nc(C3=C(N)N(c4cccc(C(=O)[O-])c4)CC3=O)[nH]c2c1	ZINC000007995054	292389699	/nfs/dbraw/zinc/38/96/99/292389699.db2.gz	PXQTWVLQSYDZGY-UHFFFAOYSA-N	-1	1	348.362	2.286	50	30		EEEAMM
CCCCOc1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)[O-])S1	ZINC000004184474	520912011	/nfs/dbraw/zinc/91/20/11/520912011.db2.gz	AJMQSRHRBJMKLO-VZWMTCDZSA-N	-1	1	349.412	2.262	50	30		EEEAMM
COc1ccc2occ(C=Nc3cc(=O)[n-]c(=S)[nH]3)c(=O)c2c1	ZINC000101271621	219120828	/nfs/dbraw/zinc/12/08/28/219120828.db2.gz	JGNGTBBFUONGAH-OMCISZLKSA-N	-1	1	329.337	2.298	50	30		EEEAMM
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000006752706	462703260	/nfs/dbraw/zinc/70/32/60/462703260.db2.gz	GKZRDJYXWGJUDF-URLQWDBASA-N	-1	1	342.395	2.208	50	30		EEEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(O)c1)CC(=O)N2	ZINC000006748279	462703580	/nfs/dbraw/zinc/70/35/80/462703580.db2.gz	WDBOLIXHLVRHOL-LLVKDONJSA-N	-1	1	329.381	2.228	50	30		EEEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1cccnc1	ZINC000013685141	462900113	/nfs/dbraw/zinc/90/01/13/462900113.db2.gz	FYHFDKJXWFIVRN-AWQFTUOYSA-N	-1	1	335.392	2.237	50	30		EEEAMM
O=C([O-])CC1S/C(=N\c2ccc(Br)cc2)NC1=O	ZINC000015015076	462938338	/nfs/dbraw/zinc/93/83/38/462938338.db2.gz	OPEIXTBPYIKSTI-MRVPVSSYSA-N	-1	1	329.175	2.143	50	30		EEEAMM
O=C(Cc1sc(NN=Cc2ccco2)nc1[O-])Nc1ccccc1	ZINC000016810535	527186777	/nfs/dbraw/zinc/18/67/77/527186777.db2.gz	FLIYDQCLZJPTMV-OMJMQIJPSA-N	-1	1	342.380	2.230	50	30		EEEAMM
C=CCOc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1Br	ZINC000012343912	211352745	/nfs/dbraw/zinc/35/27/45/211352745.db2.gz	AIOJGWYFBBOWAW-JXMROGBWSA-N	-1	1	339.214	2.359	50	30		EEEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1c(Cl)nc(C)cc1OC	ZINC000004576397	462635207	/nfs/dbraw/zinc/63/52/07/462635207.db2.gz	KHTWFVHIFRNMGF-UHFFFAOYSA-N	-1	1	335.813	2.044	50	30		EEEAMM
CCCCNC([O-])=NS(=O)(=O)c1c(Cl)nc(C)cc1OC	ZINC000004576397	462635210	/nfs/dbraw/zinc/63/52/10/462635210.db2.gz	KHTWFVHIFRNMGF-UHFFFAOYSA-N	-1	1	335.813	2.044	50	30		EEEAMM
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c([O-])c1C=Nc1ccc(F)cc1	ZINC000100967378	463375789	/nfs/dbraw/zinc/37/57/89/463375789.db2.gz	SJHIXWFYNPTBNW-AWQFTUOYSA-N	-1	1	343.289	2.260	50	30		EEEAMM
COc1cc2c(cc1C=CC(=O)c1c([O-])cc(C)oc1=O)O[C@H](C)C2	ZINC000105875738	1204898177	/nfs/dbraw/zinc/89/81/77/1204898177.db2.gz	PFMMDCNRVMMRPK-IQGOLPQCSA-N	-1	1	342.347	2.247	50	30		EEEAMM
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3nn[n-]n3)o2)c1	ZINC000004150954	210132052	/nfs/dbraw/zinc/13/20/52/210132052.db2.gz	OVTBBVWNLICDRF-MKMNVTDBSA-N	-1	1	333.695	2.467	50	30		EEEAMM
Cc1nc(S(=O)(=O)[N-]Cc2ccco2)c(C#N)c(C)c1Cl	ZINC000001428526	462582210	/nfs/dbraw/zinc/58/22/10/462582210.db2.gz	NUMYPAVIVZDWQR-UHFFFAOYSA-N	-1	1	325.777	2.295	50	30		EEEAMM
COc1ccc2[n-]cc(S(=O)(=O)c3cccc(C#N)c3)c(=O)c2c1	ZINC000015828829	462964525	/nfs/dbraw/zinc/96/45/25/462964525.db2.gz	XYIOXDPBDJGFQO-UHFFFAOYSA-N	-1	1	340.360	2.241	50	30		EEEAMM
C/C(=N/N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccc(OC(C)C)cc1	ZINC000004825512	210289374	/nfs/dbraw/zinc/28/93/74/210289374.db2.gz	AJUFRNLOQAHIQY-CCOVPTLTSA-N	-1	1	349.412	2.260	50	30		EEEAMM
C/C(=N\N=C1\NC(=O)C(CC(=O)[O-])S1)c1ccccc1Cl	ZINC000004709243	210254520	/nfs/dbraw/zinc/25/45/20/210254520.db2.gz	NXKJUXQYNGAMOB-JYMRLUDQSA-N	-1	1	325.777	2.126	50	30		EEEAMM
Cc1cc([O-])c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(=O)o1	ZINC000101006962	690073658	/nfs/dbraw/zinc/07/36/58/690073658.db2.gz	UGYBOUFCZMJYNG-DVBCCOPCSA-N	-1	1	336.347	2.160	50	30		EEEAMM