CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000000073004	67/96/32/395679632	PCWJIFJZFUOQSU-WEVVVXLNSA-N	0	305.29	DC	0.13	1	Anodyne	mid	DCAAMN	CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(N)=O	 
CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(N)=O	ZINC000000073004	67/96/31/395679631	PCWJIFJZFUOQSU-WEVVVXLNSA-N	-1	305.29	DC	0.13	0	Anodyne	ref	DCAARM	CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCC(N)=O	 
CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(=O)O	ZINC000000090317	67/98/03/395679803	LTPQYNPBPFPXKI-WEVVVXLNSA-N	-1	306.274	DC	0.729	1	Anodyne	mid	DCAAMM	CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(=O)[O-]	 
CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCC(=O)O	ZINC000000090317	67/98/02/395679802	LTPQYNPBPFPXKI-WEVVVXLNSA-N	-2	306.274	DC	0.729	0	Anodyne	ref	DCAARL	CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCC(=O)[O-]	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Cl)cc1O	ZINC000000365670	68/02/54/395680254	QDUSBZPTGBZLKP-UHFFFAOYSA-N	-1	312.734	DC	0.968	1	Clean	mid	DCCAMM	COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(Cl)cc1O	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Cl)cc1O	ZINC000000365670	68/02/53/395680253	QDUSBZPTGBZLKP-UHFFFAOYSA-N	0	312.734	DC	0.968	0	Clean	ref	DCCARN	COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Cl)cc1O	 
O=C1NC(=S)NC(=O)C1=Cc1cc2c(cc1Cl)OCO2	ZINC000000432702	12/44/21/415124421	GODVXNYWVFKCJX-UHFFFAOYSA-N	-1	310.718	DC	0.983	1	Clean	mid	DCCAMM	O=C1[N-]C(=S)NC(=O)C1=Cc1cc2c(cc1Cl)OCO2	 
O=C1NC(=S)NC(=O)C1=Cc1cc2c(cc1Cl)OCO2	ZINC000000432702	12/44/05/415124405	GODVXNYWVFKCJX-UHFFFAOYSA-N	0	310.718	DC	0.983	0	Clean	ref	DCCARN	O=C1NC(=S)NC(=O)C1=Cc1cc2c(cc1Cl)OCO2	 
CCC(=O)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000000460719	68/03/85/395680385	WEYACZAGLDWWKX-UHFFFAOYSA-N	-1	304.327	DC	0.916	1	Clean	mid	DCCAMM	CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	 
CCC(=O)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000000460719	68/03/84/395680384	WEYACZAGLDWWKX-UHFFFAOYSA-N	0	304.327	DC	0.916	0	Clean	ref	DCCARN	CCC(=O)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	 
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(C)C1=O)OCO2	ZINC000000463224	39/11/97/277391197	SDNCHYPNNGARSH-FPYGCLRLSA-N	-1	320.326	DC	0.68	1	Clean	mid	DCCAMM	COc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)OCO2	 
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(C)C1=O)OCO2	ZINC000000463224	39/11/93/277391193	SDNCHYPNNGARSH-FPYGCLRLSA-N	0	320.326	DC	0.68	0	Clean	ref	DCCARN	COc1cc2c(cc1C=C1C(=O)NC(=S)N(C)C1=O)OCO2	 
COc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)OCO2	ZINC000000465389	39/15/01/277391501	CNDXPUJTLSBQGA-UHFFFAOYSA-N	-1	306.299	DC	0.338	1	Clean	mid	DCCAMM	COc1cc2c(cc1C=C1C(=O)[N-]C(=S)NC1=O)OCO2	 
COc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)OCO2	ZINC000000465389	39/14/98/277391498	CNDXPUJTLSBQGA-UHFFFAOYSA-N	0	306.299	DC	0.338	0	Clean	ref	DCCARN	COc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)OCO2	 
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)N1CCOCC1	ZINC000000566711	94/29/53/269942953	IWKGGSROZCGTNZ-UKTHLTGXSA-N	-1	316.313	DC	0.916	0	Reactive	ref	DCGARM	N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)N1CCOCC1	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)NC1=S	ZINC000000567366	68/05/54/395680554	KMCJHANFXNMYMZ-UXBLZVDNSA-N	-2	320.326	DC	0.406	1	Clean	mid	DCCAML	CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)NC1=S	ZINC000000567366	68/05/53/395680553	KMCJHANFXNMYMZ-UXBLZVDNSA-N	-1	320.326	DC	0.406	0	Clean	ref	DCCARM	CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)NC1=S	 
CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)NC1=S	ZINC000000573799	00/53/69/277005369	WKUKINRANJCNID-RMKNXTFCSA-N	-1	304.327	DC	0.714	1	Clean	mid	DCCAMM	CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)NC1=S	ZINC000000573799	00/53/66/277005366	WKUKINRANJCNID-RMKNXTFCSA-N	0	304.327	DC	0.714	0	Clean	ref	DCCARN	CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)C(=O)NC1=S	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)o1	ZINC000001407193	68/07/52/395680752	IALJAVYFZGHJHM-UHFFFAOYSA-N	-1	307.331	DC	0.03	1	Clean	mid	DCCAMM	O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)o1	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)o1	ZINC000001407193	68/07/51/395680751	IALJAVYFZGHJHM-UHFFFAOYSA-N	0	307.331	DC	0.03	0	Clean	ref	DCCARN	O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCOCC2)o1	 
CN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)C(=O)N(C)C1=O	ZINC000001514471	87/07/52/180870752	YBWHBMUBFDTESR-UHFFFAOYSA-N	-1	318.285	DC	0.584	0	Clean	ref	DCCARM	CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N(C)C1=O	 
COc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2	ZINC000002827154	84/51/97/277845197	SQQGQNXOJUWZFO-UHFFFAOYSA-N	0	318.285	DC	0.858	0	Clean	ref	DCCARN	COc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2	 
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)NC1=O	ZINC000002832736	12/51/68/415125168	PWGODLDGZGXWLL-UHFFFAOYSA-N	0	315.329	DC	0.581	1	Clean	mid	DCCAMN	Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)NC1=O	 
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)NC1=O	ZINC000002832736	12/51/58/415125158	PWGODLDGZGXWLL-UHFFFAOYSA-N	-1	315.329	DC	0.581	0	Clean	ref	DCCARM	Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=O)NC1=O	 
O=C1NC(=O)C(=Cc2cc(O)ccc2Br)C(=O)N1	ZINC000002869685	35/63/10/296356310	GTEJUOVOXGZURZ-UHFFFAOYSA-N	0	311.091	DC	0.904	1	Clean	mid	DCCAMN	O=C1NC(=O)C(=Cc2cc(O)ccc2Br)C(=O)N1	 
O=C1NC(=O)C(=Cc2cc(O)ccc2Br)C(=O)N1	ZINC000002869685	35/63/06/296356306	GTEJUOVOXGZURZ-UHFFFAOYSA-N	-1	311.091	DC	0.904	0	Clean	ref	DCCARM	O=C1[N-]C(=O)C(=Cc2cc(O)ccc2Br)C(=O)N1	 
CN1C(=O)C(=Cc2ccccc2OCC(=O)O)C(=O)N(C)C1=O	ZINC000002874324	68/20/81/395682081	JNAVOXUPTPTDIL-UHFFFAOYSA-N	-1	318.285	DC	0.584	0	Clean	ref	DCCARM	CN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])C(=O)N(C)C1=O	 
CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)cc2)C1=O	ZINC000002903893	68/21/81/395682181	OSONSPGJTZRWJG-UXBLZVDNSA-N	-1	304.258	DC	0.242	1	Clean	mid	DCCAMM	CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	 
CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)cc2)C1=O	ZINC000002903893	68/21/80/395682180	OSONSPGJTZRWJG-UXBLZVDNSA-N	-2	304.258	DC	0.242	0	Clean	ref	DCCARL	CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	 
C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000002968863	68/21/63/395682163	LDSUQBIMFDGHPD-UHFFFAOYSA-N	0	314.297	DC	0.847	1	Mild	mid	DCEAMN	C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	 
C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000002968863	68/21/62/395682162	LDSUQBIMFDGHPD-UHFFFAOYSA-N	-1	314.297	DC	0.847	0	Mild	ref	DCEARM	C#CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	 
CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21	ZINC000003017554	68/21/21/395682121	BZBPHGWJXMQXQH-UHFFFAOYSA-N	0	310.375	DC	0.481	0	Anodyne	ref	DCAARN	CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC#N	ZINC000003771649	04/54/44/181045444	KYWPQKFFMFTQSA-UHFFFAOYSA-N	0	315.285	DC	0.737	1	Mild	mid	DCEAMN	CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC#N	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC#N	ZINC000003771649	04/54/43/181045443	KYWPQKFFMFTQSA-UHFFFAOYSA-N	-1	315.285	DC	0.737	0	Mild	ref	DCEARM	CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC#N	 
O=C1Nc2ccc(Br)cc2[C@]1(O)N1CCOCC1	ZINC000004164590	68/90/03/304689003	OXYSQVHVWYQBAL-GFCCVEGCSA-N	0	313.151	DC	0.879	0	Anodyne	ref	DCAARN	O=C1Nc2ccc(Br)cc2[C@]1(O)N1CCOCC1	 
O=C1Nc2ccc(Br)cc2[C@@]1(O)N1CCOCC1	ZINC000004164591	39/98/02/296399802	OXYSQVHVWYQBAL-LBPRGKRZSA-N	0	313.151	DC	0.879	0	Anodyne	ref	DCAARN	O=C1Nc2ccc(Br)cc2[C@@]1(O)N1CCOCC1	 
CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000004185439	08/29/59/181082959	XTENFPBZKBCIGQ-UXBLZVDNSA-N	0	320.301	DC	0.817	1	Anodyne	mid	DCAAMN	CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OC	 
CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000004185439	08/29/57/181082957	XTENFPBZKBCIGQ-UXBLZVDNSA-N	-1	320.301	DC	0.817	0	Anodyne	ref	DCAARM	CCOC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC	 
CN1C(=O)/C(=C2\N=C(S)NC2=O)c2cc([N+](=O)[O-])ccc21	ZINC000004302163	00/55/90/277005590	JQDSVIFEVYCPAL-HJWRWDBZSA-N	-1	304.287	DC	0.698	1	Bother	mid	DCBAMM	CN1C(=O)C(=C2NC(=S)[N-]C2=O)c2cc([N+](=O)[O-])ccc21	 
CN1C(=O)/C(=C2\N=C(S)NC2=O)c2cc([N+](=O)[O-])ccc21	ZINC000004302163	00/55/88/277005588	JQDSVIFEVYCPAL-HJWRWDBZSA-N	0	304.287	DC	0.698	0	Bother	ref	DCBARN	CN1C(=O)C(=C2NC(=S)NC2=O)c2cc([N+](=O)[O-])ccc21	 
CN1C(=O)C(=Cc2ccc(C(=O)O)cc2)C(=O)N(C)C1=S	ZINC000004395517	79/06/54/289790654	YOAXUGOXGNPWLB-UHFFFAOYSA-N	-1	304.327	DC	0.983	0	Clean	ref	DCCARM	CN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=S	 
COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(OC)c1	ZINC000004548723	12/31/23/181123123	QDSGREYPSYTJGB-UXBLZVDNSA-N	-1	306.343	DC	0.96	1	Clean	mid	DCCAMM	COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(OC)c1	 
COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(OC)c1	ZINC000004548723	12/31/21/181123121	QDSGREYPSYTJGB-UXBLZVDNSA-N	0	306.343	DC	0.96	0	Clean	ref	DCCARN	COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)c(OC)c1	 
C=CCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000004682180	13/66/14/181136614	KSOPFDUXAMBKOE-DHZHZOJOSA-N	0	312.329	DC	0.956	0	Mild	ref	DCEARN	C=CCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O	 
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	13/11/43/415131143	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	319.292	DC	0.412	1	Clean	mid	DCCAMM	O=C1[N-]C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1	 
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	13/11/34/415131134	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	319.292	DC	0.412	1	Clean	mid	DCCAMM	O=C1[N-]C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1	 
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	13/11/26/415131126	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	319.292	DC	0.412	1	Clean	mid	DCCAMM	O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	 
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	ZINC000004703689	13/11/13/415131113	WODUJYVURJGIBE-UHFFFAOYSA-N	-1	319.292	DC	0.412	0	Clean	ref	DCCARM	O=C1[N-]C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1	 
CN1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)O)c2)C1=O	ZINC000004704230	13/97/82/181139782	RGCRUNJXMOLRQP-UXBLZVDNSA-N	-1	304.258	DC	0.242	1	Clean	mid	DCCAMM	CN1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C1=O	 
CN1C(=O)NC(=O)/C(=C\c2cccc(OCC(=O)O)c2)C1=O	ZINC000004704230	13/97/80/181139780	RGCRUNJXMOLRQP-UXBLZVDNSA-N	-2	304.258	DC	0.242	0	Clean	ref	DCCARL	CN1C(=O)[N-]C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C1=O	 
O=C(O)COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000004723721	14/21/65/181142165	YYAVFPBHUPPMET-UHFFFAOYSA-N	-2	306.299	DC	0.064	1	Clean	mid	DCCAML	O=C([O-])COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1	 
O=C(O)COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000004723721	14/21/64/181142164	YYAVFPBHUPPMET-UHFFFAOYSA-N	-1	306.299	DC	0.064	0	Clean	ref	DCCARM	O=C([O-])COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1	 
CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)C(=O)NC1=S	ZINC000004723836	14/21/53/181142153	JBRAPSQIMKTUKX-RMKNXTFCSA-N	-2	320.326	DC	0.406	1	Clean	mid	DCCAML	CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)C(=O)NC1=S	ZINC000004723836	14/21/52/181142152	JBRAPSQIMKTUKX-RMKNXTFCSA-N	-1	320.326	DC	0.406	0	Clean	ref	DCCARM	CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)NC1=S	 
O=C1N=C(O)/C(=C/Nn2cnnc2)C(=O)N1Cc1ccco1	ZINC000004739860	14/50/70/181145070	LQWFRMIDPCEAPE-WTKPLQERSA-N	0	302.25	DC	0.417	1	Clean	mid	DCCAMN	O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNn1cnnc1	 
O=C1N=C(O)/C(=C/Nn2cnnc2)C(=O)N1Cc1ccco1	ZINC000004739860	14/50/68/181145068	LQWFRMIDPCEAPE-WTKPLQERSA-N	-1	302.25	DC	0.417	0	Clean	ref	DCCARM	O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNn1cnnc1	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O	ZINC000004933188	17/52/14/181175214	QOVNDRAZQQUHRB-XYOKQWHBSA-N	0	303.318	DC	0.818	0	Clean	ref	DCCARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O	 
COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)O)C1=O)OCO2	ZINC000004998010	18/73/37/181187337	SPKPNLWMNNVFLR-KRXBUXKQSA-N	-1	320.257	DC	0.401	0	Anodyne	ref	DCAARM	COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O)OCO2	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O	ZINC000005006436	18/92/01/181189201	ZVLBZOLWSXBTMN-UXBLZVDNSA-N	0	320.301	DC	0.769	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2OC)C1=O	ZINC000005006442	18/89/37/181188937	NWETXSBNZCEMDX-IZZDOVSWSA-N	0	320.301	DC	0.769	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2OC)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc3c(c2)OCO3)C1=O	ZINC000005006453	18/88/63/181188863	PIRDUZVWNNCGRW-RUDMXATFSA-N	0	304.258	DC	0.481	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc3c(c2)OCO3)C1=O	 
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1O	ZINC000005006470	18/88/90/181188890	ILIAJBZVIDXNAI-UXBLZVDNSA-N	0	320.301	DC	0.857	0	Anodyne	ref	DCAARN	CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(C(=O)OC)cc2)C1=O	ZINC000005006498	18/87/91/181188791	HXFAYPCNMDOVLH-YRNVUSSQSA-N	0	318.285	DC	0.539	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(C(=O)OC)cc2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(C(=O)O)cc2)C1=O	ZINC000005006570	18/88/22/181188822	QKHCSTCVKMPVPU-UXBLZVDNSA-N	-1	304.258	DC	0.45	0	Anodyne	ref	DCAARM	COC(=O)CN1C(=O)N/C(=C/c2ccc(C(=O)[O-])cc2)C1=O	 
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	ZINC000005006620	18/88/30/181188830	NJPUUYTXMGFMKB-UKTHLTGXSA-N	0	314.297	DC	0.764	0	Mild	ref	DCEARN	C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	 
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)ccc2OC)C1=O	ZINC000005006651	18/87/89/181188789	LINNNCDMNMYYDN-YRNVUSSQSA-N	0	320.301	DC	0.769	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2cc(OC)ccc2OC)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OC)C1=O	ZINC000005006654	18/87/50/181188750	ABBPSBHKEOXREZ-JXMROGBWSA-N	0	320.301	DC	0.769	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OC)C1=O	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC	ZINC000005018709	19/18/93/181191893	DNDBZXWZXBPHSC-WEVVVXLNSA-N	-1	306.274	DC	0.681	0	Anodyne	ref	DCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(OC)c1	ZINC000005018712	19/18/36/181191836	SAEBQDSUBNLQQG-BJMVGYQFSA-N	-1	306.274	DC	0.681	0	Anodyne	ref	DCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(OC)c1	 
COC(=O)c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1	ZINC000005018752	19/14/86/181191486	AVRMGRCWHPTFED-UXBLZVDNSA-N	-1	304.258	DC	0.45	0	Anodyne	ref	DCAARM	COC(=O)c1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	 
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1	ZINC000005018784	19/16/83/181191683	UXKQCXHYKHXKMC-XYOKQWHBSA-N	-1	300.27	DC	0.676	0	Mild	ref	DCEARM	C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(OC)c1C	ZINC000005018850	19/18/40/181191840	CJGFQPAOOMRASW-UXBLZVDNSA-N	-1	320.301	DC	0.99	0	Anodyne	ref	DCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(OC)c1C	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(O)c([N+](=O)[O-])c1	ZINC000005102414	97/53/64/294975364	YGNITCAAUYRFHI-UHFFFAOYSA-N	-1	307.218	DC	0.058	2	Clean	low	DCCALM	COc1cc(C=C2C(=O)NC(=O)NC2=O)c([O-])c([N+](=O)[O-])c1	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(O)c([N+](=O)[O-])c1	ZINC000005102414	97/53/62/294975362	YGNITCAAUYRFHI-UHFFFAOYSA-N	0	307.218	DC	0.058	2	Clean	low	DCCALN	COc1cc(C=C2C(=O)NC(=O)NC2=O)c(O)c([N+](=O)[O-])c1	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(O)c([N+](=O)[O-])c1	ZINC000005102414	97/53/54/294975354	YGNITCAAUYRFHI-UHFFFAOYSA-N	-2	307.218	DC	0.058	0	Clean	ref	DCCARL	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c([O-])c([N+](=O)[O-])c1	 
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000005248787	22/10/39/181221039	KXEGMPVYNXYULW-UHFFFAOYSA-N	-1	322.302	DC	0.43	1	Clean	mid	DCCAMM	COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)NC1=O	 
COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000005248787	22/10/38/181221038	KXEGMPVYNXYULW-UHFFFAOYSA-N	0	322.302	DC	0.43	0	Clean	ref	DCCARN	COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	 
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000005277064	22/55/35/181225535	GSWIVUQFJFXKPO-UHFFFAOYSA-N	-1	306.303	DC	0.73	1	Clean	mid	DCCAMM	Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)[N-]C(=S)NC1=O	 
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000005277064	22/55/32/181225532	GSWIVUQFJFXKPO-UHFFFAOYSA-N	0	306.303	DC	0.73	0	Clean	ref	DCCARN	Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)NC(=S)NC1=O	 
CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S1	ZINC000005639221	26/74/70/181267470	ZCCQJGKPJOYIMH-IZZDOVSWSA-N	0	319.342	DC	0.657	0	Mild	ref	DCEARN	CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S1	 
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(C)C1=S	ZINC000005982155	68/29/03/395682903	AWPIYEXZVCOZQF-UHFFFAOYSA-N	0	321.314	DC	0.899	2	Clean	low	DCCALN	CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(C)C1=S	 
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N(C)C1=S	ZINC000005982155	68/29/02/395682902	AWPIYEXZVCOZQF-UHFFFAOYSA-N	-1	321.314	DC	0.899	0	Clean	ref	DCCARM	CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N(C)C1=S	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCOCC1	ZINC000006242927	32/18/78/181321878	HSTKMUUFMAVHPC-LUAWRHEFSA-N	0	305.29	DC	0.074	1	Clean	mid	DCCAMN	O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCOCC1	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCOCC1	ZINC000006242927	32/18/77/181321877	HSTKMUUFMAVHPC-LUAWRHEFSA-N	-1	305.29	DC	0.074	0	Clean	ref	DCCARM	O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCOCC1	 
COCCCN/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	ZINC000006380114	33/59/03/181335903	SDEBTFWZXVGHLV-DHZHZOJOSA-N	0	307.306	DC	0.368	1	Clean	mid	DCCAMN	COCCCNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O	 
COCCCN/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O	ZINC000006380114	33/59/02/181335902	SDEBTFWZXVGHLV-DHZHZOJOSA-N	-1	307.306	DC	0.368	0	Clean	ref	DCCARM	COCCCNC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	 
COc1ccc(NC=C2C(=O)NC(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000006381648	33/58/74/181335874	VHRPFYUWAYCLLP-UHFFFAOYSA-N	-1	322.302	DC	0.43	1	Clean	mid	DCCAMM	COc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])c1	 
COc1ccc(NC=C2C(=O)NC(=S)NC2=O)c([N+](=O)[O-])c1	ZINC000006381648	33/58/73/181335873	VHRPFYUWAYCLLP-UHFFFAOYSA-N	0	322.302	DC	0.43	0	Clean	ref	DCCARN	COc1ccc(NC=C2C(=O)NC(=S)NC2=O)c([N+](=O)[O-])c1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1O	ZINC000006382836	33/56/40/181335640	YXDWGQQAUHAZOS-UHFFFAOYSA-N	-2	308.275	DC	0.127	3	Clean	high	DCCAHL	O=C1[N-]C(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1[O-]	 
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1O	ZINC000006382836	33/56/37/181335637	YXDWGQQAUHAZOS-UHFFFAOYSA-N	0	308.275	DC	0.127	0	Clean	ref	DCCARN	O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1O	 
CCOC(=O)COc1ccccc1/C=C1/C(=O)N=C(N)N1C	ZINC000006499506	34/65/93/181346593	MUXISBVMDMGSAY-FLIBITNWSA-N	0	303.318	DC	0.756	0	Anodyne	ref	DCAARN	CCOC(=O)COc1ccccc1C=C1C(=O)N=C(N)N1C	 
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000006578459	68/29/25/395682925	YXROEPPVLIAPEE-QPJJXVBHSA-N	0	307.287	DC	0.557	2	Clean	low	DCCALN	CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S	 
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000006578459	68/29/24/395682924	YXROEPPVLIAPEE-QPJJXVBHSA-N	-2	307.287	DC	0.557	1	Clean	mid	DCCAML	CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000006578459	68/29/23/395682923	YXROEPPVLIAPEE-QPJJXVBHSA-N	-1	307.287	DC	0.557	0	Clean	ref	DCCARM	CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)NC1=S	 
C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1O	ZINC000006580543	35/65/09/181356509	JZRHVYVPZHBFGE-UHFFFAOYSA-N	0	302.286	DC	0.879	1	Mild	mid	DCEAMN	C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1O	 
C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1O	ZINC000006580543	35/65/07/181356507	JZRHVYVPZHBFGE-UHFFFAOYSA-N	-1	302.286	DC	0.879	0	Mild	ref	DCEARM	C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1O	 
Cc1nnc(NC(=O)CSc2ncc(C#N)c(N)n2)s1	ZINC000007461949	13/90/82/415139082	QATDHOMBNWQNJJ-UHFFFAOYSA-N	0	307.364	DC	0.821	0	Mild	ref	DCEARN	Cc1nnc(NC(=O)CSc2ncc(C#N)c(N)n2)s1	 
O=C(NCCCO)c1nn(-c2ccc(Cl)cc2)nc1CO	ZINC000008613472	56/94/85/181569485	RYNPWGFHLBEZOX-UHFFFAOYSA-N	0	310.741	DC	0.525	0	Anodyne	ref	DCAARN	O=C(NCCCO)c1nn(-c2ccc(Cl)cc2)nc1CO	 
COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2O)C1=O	ZINC000009259555	68/51/85/395685185	AWPPFPGKKSNWLH-RMKNXTFCSA-N	0	306.274	DC	0.466	0	Anodyne	ref	DCAARN	COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2O)C1=O