CCOC(=O)COc1ccccc1C=C1C(=O)NC(=S)NC1=O	ZINC000000176397	95/05/79/435950579	WPHDBUWWUWWFGY-UHFFFAOYSA-N	-1	334.353	EC	0.543	1	Clean	mid	ECCAMM	CCOC(=O)COc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O	 
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=S)NC1=O	ZINC000000176397	95/05/74/435950574	WPHDBUWWUWWFGY-UHFFFAOYSA-N	0	334.353	EC	0.543	0	Clean	ref	ECCARN	CCOC(=O)COc1ccccc1C=C1C(=O)NC(=S)NC1=O	 
Cc1c(C=C2C(=O)NC(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000000176398	94/96/74/435949674	PWJKLCDOAMMSBC-UHFFFAOYSA-N	-1	342.38	EC	0.399	1	Clean	mid	ECCAMM	Cc1c(C=C2C(=O)[N-]C(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	 
Cc1c(C=C2C(=O)NC(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000000176398	94/96/66/435949666	PWJKLCDOAMMSBC-UHFFFAOYSA-N	0	342.38	EC	0.399	0	Clean	ref	ECCARN	Cc1c(C=C2C(=O)NC(=S)NC2=O)c(=O)n(-c2ccccc2)n1C	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(I)o1	ZINC000000314456	35/94/74/296359474	SPTYIBTUVRDDRA-UHFFFAOYSA-N	-1	348.121	EC	0.798	1	Clean	mid	ECCAMM	O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(I)o1	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(I)o1	ZINC000000314456	35/94/72/296359472	SPTYIBTUVRDDRA-UHFFFAOYSA-N	0	348.121	EC	0.798	0	Clean	ref	ECCARN	O=C1NC(=S)NC(=O)C1=Cc1ccc(I)o1	 
CCOC(=O)c1cnc(SCC(=O)N2CCOCC2)nc1N	ZINC000000417994	58/05/34/209580534	LHZSJDZRFWATIQ-UHFFFAOYSA-N	0	326.378	EC	0.186	0	Anodyne	ref	ECAARN	CCOC(=O)c1cnc(SCC(=O)N2CCOCC2)nc1N	 
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	ZINC000000446581	95/67/13/435956713	ICWJFQFABIDGKZ-UXBLZVDNSA-N	0	348.311	EC	0.339	1	Clean	mid	ECCAMN	COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	 
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	ZINC000000446581	95/67/05/435956705	ICWJFQFABIDGKZ-UXBLZVDNSA-N	-1	348.311	EC	0.339	0	Clean	ref	ECCARM	COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1OC	 
COC(=O)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1	ZINC000000451135	60/78/43/209607843	RNLHZBYJCYEWFJ-UHFFFAOYSA-N	0	348.38	EC	0.837	0	Clean	ref	ECCARN	COC(=O)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1	 
O=C(O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	ZINC000000452641	95/60/74/435956074	LNFKEDHEOYPXTI-UHFFFAOYSA-N	-2	340.744	EC	0.718	1	Clean	mid	ECCAML	O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	 
O=C(O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	ZINC000000452641	95/60/65/435956065	LNFKEDHEOYPXTI-UHFFFAOYSA-N	-1	340.744	EC	0.718	0	Clean	ref	ECCARM	O=C([O-])COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	 
O=C1NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)N1	ZINC000000571853	95/54/14/435955414	RDQMTNZHZLMTOW-UKTHLTGXSA-N	0	331.328	EC	0.104	1	Anodyne	mid	ECAAMN	O=C1NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)N1	 
O=C1NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)N1	ZINC000000571853	95/54/05/435955405	RDQMTNZHZLMTOW-UKTHLTGXSA-N	-1	331.328	EC	0.104	0	Anodyne	ref	ECAARM	O=C1[N-]C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)N1	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	ZINC000000860227	95/81/11/435958111	BDGLADNPIQRJKM-XYOKQWHBSA-N	-1	345.38	EC	0.363	1	Mild	mid	ECEAMM	C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	ZINC000000860227	95/80/97/435958097	BDGLADNPIQRJKM-XYOKQWHBSA-N	0	345.38	EC	0.363	0	Mild	ref	ECEARN	C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)NC1=S	ZINC000002164638	96/60/97/435966097	FILSITLUAQZRBX-XYOKQWHBSA-N	-2	346.364	EC	0.963	1	Mild	mid	ECEAML	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)NC1=S	ZINC000002164638	96/60/81/435966081	FILSITLUAQZRBX-XYOKQWHBSA-N	-1	346.364	EC	0.963	0	Mild	ref	ECEARM	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)NC1=S	 
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	ZINC000002284172	96/56/75/435965675	QVVXEIDVTHNWBY-WEVVVXLNSA-N	-1	334.284	EC	0.25	1	Clean	mid	ECCAMM	COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)[O-]	 
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	ZINC000002284172	96/56/69/435965669	QVVXEIDVTHNWBY-WEVVVXLNSA-N	-2	334.284	EC	0.25	0	Clean	ref	ECCARL	COc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@@H](C)C(=O)O	ZINC000002892008	97/07/38/435970738	SLXNODPDYMFMQB-QMMMGPOBSA-N	-1	348.311	EC	0.687	1	Clean	mid	ECCAMM	CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@@H](C)C(=O)O	ZINC000002892008	97/07/27/435970727	SLXNODPDYMFMQB-QMMMGPOBSA-N	-2	348.311	EC	0.687	0	Clean	ref	ECCARL	CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	 
O=C1NC(=O)C(=Cc2ccc(I)o2)C(=O)N1	ZINC000004199665	27/87/26/280278726	JTBKHUMNNLVTEW-UHFFFAOYSA-N	0	332.053	EC	0.634	1	Clean	mid	ECCAMN	O=C1NC(=O)C(=Cc2ccc(I)o2)C(=O)N1	 
O=C1NC(=O)C(=Cc2ccc(I)o2)C(=O)N1	ZINC000004199665	27/87/20/280278720	JTBKHUMNNLVTEW-UHFFFAOYSA-N	-1	332.053	EC	0.634	0	Clean	ref	ECCARM	O=C1[N-]C(=O)C(=Cc2ccc(I)o2)C(=O)N1	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@H](C)C(=O)O	ZINC000004653008	23/87/27/210238727	SLXNODPDYMFMQB-MRVPVSSYSA-N	-1	348.311	EC	0.687	1	Clean	mid	ECCAMM	CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@H](C)C(=O)O	ZINC000004653008	23/87/25/210238725	SLXNODPDYMFMQB-MRVPVSSYSA-N	-2	348.311	EC	0.687	0	Clean	ref	ECCARL	CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@H](C)C(=O)[O-]	 
O=C1NC(=O)C(=Cc2cccn2-c2cccc(C(=O)O)c2)C(=O)N1	ZINC000004674671	24/28/69/210242869	USVBPJNYZREEAA-UHFFFAOYSA-N	-1	325.28	EC	0.925	1	Clean	mid	ECCAMM	O=C1NC(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1	 
O=C1NC(=O)C(=Cc2cccn2-c2cccc(C(=O)O)c2)C(=O)N1	ZINC000004674671	24/28/63/210242863	USVBPJNYZREEAA-UHFFFAOYSA-N	-2	325.28	EC	0.925	0	Clean	ref	ECCARL	O=C1[N-]C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C(=O)N1	 
COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	ZINC000004676503	24/42/21/210244221	ZBSNTQFJKNCGQI-YRNVUSSQSA-N	-1	334.353	EC	0.495	1	Clean	mid	ECCAMM	COC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1	 
COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1	ZINC000004676503	24/42/17/210244217	ZBSNTQFJKNCGQI-YRNVUSSQSA-N	0	334.353	EC	0.495	0	Clean	ref	ECCARN	COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1	 
CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	ZINC000004704470	25/39/32/210253932	SGIUQNCHGYXWQF-POHAHGRESA-N	-1	348.311	EC	0.64	1	Clean	mid	ECCAMM	CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)[O-]	 
CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)O	ZINC000004704470	25/39/27/210253927	SGIUQNCHGYXWQF-POHAHGRESA-N	-2	348.311	EC	0.64	0	Clean	ref	ECCARL	CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	 
C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000004723735	26/01/73/210260173	JYIRBIRGMIAISZ-DHZHZOJOSA-N	-1	330.365	EC	0.964	1	Mild	mid	ECEAMM	C#CCOc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	 
C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000004723735	26/01/70/210260170	JYIRBIRGMIAISZ-DHZHZOJOSA-N	0	330.365	EC	0.964	0	Mild	ref	ECEARN	C#CCOc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	 
CN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)C(=O)N(C)C1=S	ZINC000004723753	26/03/50/210260350	BNBDXNDCBWWJTM-UHFFFAOYSA-N	-1	334.353	EC	0.749	0	Clean	ref	ECCARM	CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N(C)C1=S	 
CN1C(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)NC1=S	ZINC000004723989	59/48/24/282594824	UFHNFUKCCAZBBX-TWGQIWQCSA-N	-1	330.369	EC	0.133	1	Clean	mid	ECCAMM	CN1C(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C(=O)NC1=S	ZINC000004723989	59/48/07/282594807	UFHNFUKCCAZBBX-TWGQIWQCSA-N	0	330.369	EC	0.133	0	Clean	ref	ECCARN	CN1C(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)NC1=S	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OC)c1OC	ZINC000004724062	97/94/17/435979417	LXHHAOQZEJOQEF-WEVVVXLNSA-N	-1	336.369	EC	0.969	1	Clean	mid	ECCAMM	COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OC)c1OC	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OC)c1OC	ZINC000004724062	97/94/10/435979410	LXHHAOQZEJOQEF-WEVVVXLNSA-N	0	336.369	EC	0.969	0	Clean	ref	ECCARN	COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OC)c1OC	 
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCC(=O)O	ZINC000004913940	32/10/34/210321034	LYEXSGFOVXCEIT-UHFFFAOYSA-N	-2	336.325	EC	0.073	1	Clean	mid	ECCAML	COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCC(=O)[O-]	 
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCC(=O)O	ZINC000004913940	32/10/32/210321032	LYEXSGFOVXCEIT-UHFFFAOYSA-N	-1	336.325	EC	0.073	0	Clean	ref	ECCARM	COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCC(=O)[O-]	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)cc2)C1=O	ZINC000005006597	35/90/04/210359004	OCJZPEQVJKJXJG-IZZDOVSWSA-N	-1	334.284	EC	0.216	0	Anodyne	ref	ECAARM	COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O	 
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	ZINC000005006609	35/95/64/210359564	SVSMAEMVAUTICP-KPKJPENVSA-N	0	348.311	EC	0.304	0	Anodyne	ref	ECAARN	COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	 
C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC	ZINC000005006640	35/95/45/210359545	LELFKVYCIQAXNI-XYOKQWHBSA-N	0	344.323	EC	0.773	0	Mild	ref	ECEARN	C#CCOc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC	 
COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c1C	ZINC000005006805	35/88/99/210358899	XLBPGJJMMZBFFX-MDWZMJQESA-N	0	335.36	EC	0.817	0	Clean	ref	ECCARN	COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c1C	 
COC(=O)CN1C(=O)N/C(=C/c2cc3c(cc2OC)OCO3)C1=O	ZINC000005006818	35/89/27/210358927	LXRLOTHWRAMDFO-YCRREMRBSA-N	0	334.284	EC	0.49	0	Anodyne	ref	ECAARN	COC(=O)CN1C(=O)N/C(=C/c2cc3c(cc2OC)OCO3)C1=O	 
CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)OC)C1=O)OCO2	ZINC000005006822	98/21/73/435982173	JVGUQGXUTHTFTB-ONNFQVAWSA-N	0	348.311	EC	0.88	0	Anodyne	ref	ECAARN	CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)OC)C1=O)OCO2	 
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(OC)c1OC	ZINC000005018778	98/42/32/435984232	LLUDPQMALZXZHH-RUDMXATFSA-N	-1	336.3	EC	0.69	0	Anodyne	ref	ECAARM	COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1OC	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(OC)c1OC	ZINC000005018830	36/41/06/210364106	PHFQARGSZVBOCI-RMKNXTFCSA-N	-1	336.3	EC	0.69	0	Anodyne	ref	ECAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(OC)c1OC	 
CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)O)C1=O)OCO2	ZINC000005018852	36/38/74/210363874	AVPPIZJNCWAPOA-YCRREMRBSA-N	-1	334.284	EC	0.791	0	Anodyne	ref	ECAARM	CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O)OCO2	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O	ZINC000005023301	36/57/18/210365718	UFJVAPIRHXWKRM-UHFFFAOYSA-N	-2	336.325	EC	0.073	1	Clean	mid	ECCAML	COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)[O-]	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O	ZINC000005023301	36/57/15/210365715	UFJVAPIRHXWKRM-UHFFFAOYSA-N	-1	336.325	EC	0.073	0	Clean	ref	ECCARM	COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)[O-]	 
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000005854880	99/41/41/435994141	SXIBLICFIHIRMJ-LCFDYFRESA-N	-2	342.38	EC	0.825	3	Clean	high	ECCAHL	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(C)C1=O	 
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000005854880	99/41/36/435994136	SXIBLICFIHIRMJ-LCFDYFRESA-N	0	342.38	EC	0.825	1	Clean	mid	ECCAMN	Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	 
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000005854880	99/41/23/435994123	SXIBLICFIHIRMJ-LCFDYFRESA-N	-1	342.38	EC	0.825	0	Clean	ref	ECCARM	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1O	ZINC000006580535	00/06/75/436000675	HRUPENJVRUXTMT-UHFFFAOYSA-N	-2	341.117	EC	0.913	3	Clean	high	ECCAHL	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1[O-]	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1O	ZINC000006580535	00/06/70/436000670	HRUPENJVRUXTMT-UHFFFAOYSA-N	0	341.117	EC	0.913	1	Clean	mid	ECCAMN	COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1O	ZINC000006580535	00/06/61/436000661	HRUPENJVRUXTMT-UHFFFAOYSA-N	-1	341.117	EC	0.913	0	Clean	ref	ECCARM	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1O	 
N#Cc1cnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc1N	ZINC000007461096	01/27/51/436012751	JPAFSSDBDQZJJD-UHFFFAOYSA-N	0	341.356	EC	0.831	0	Mild	ref	ECEARN	N#Cc1cnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc1N	 
CCOC(=O)Cn1c(=O)cc(C)n(-c2ccc3c(c2)OCO3)c1=O	ZINC000009189673	05/07/36/211050736	SOIMXDZPNRTBCC-UHFFFAOYSA-N	0	332.312	EC	0.599	0	Anodyne	ref	ECAARN	CCOC(=O)Cn1c(=O)cc(C)n(-c2ccc3c(c2)OCO3)c1=O	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000013130537	05/86/28/436058628	MFOBXSRPEZWSTA-SNVBAGLBSA-N	-2	328.353	EC	0.483	3	Clean	high	ECCAHL	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)NC1=O	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000013130537	05/86/23/436058623	MFOBXSRPEZWSTA-SNVBAGLBSA-N	0	328.353	EC	0.483	2	Clean	low	ECCALN	Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000013130537	05/86/07/436058607	MFOBXSRPEZWSTA-SNVBAGLBSA-N	-1	328.353	EC	0.483	0	Clean	ref	ECCARM	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(Br)cn1	ZINC000013235726	06/23/19/436062319	VTTWHVTUNVCFBA-UHFFFAOYSA-N	-1	327.163	EC	0.671	1	Clean	mid	ECCAMM	O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Br)cn1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(Br)cn1	ZINC000013235726	06/23/11/436062311	VTTWHVTUNVCFBA-UHFFFAOYSA-N	0	327.163	EC	0.671	0	Clean	ref	ECCARN	O=C1NC(=S)NC(=O)C1=CNc1ccc(Br)cn1	 
C=CCN1C(=O)N/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O	ZINC000014009917	06/72/29/436067229	LHSTXZRWLZCZLN-YRNVUSSQSA-N	0	331.328	EC	0.638	0	Mild	ref	ECEARN	C=CCN1C(=O)N/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O	 
N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC[C@H]1CCCO1	ZINC000015013056	94/19/25/269941925	GJGAHLRCIHIVRM-JEMSNHSXSA-N	0	329.356	EC	0.753	0	Reactive	ref	ECGARN	N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC[C@H]1CCCO1	 
NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1	ZINC000015013630	94/77/26/201947726	LLBITPNSTOVFFO-BJMVGYQFSA-N	-1	336.325	EC	0.672	0	Anodyne	ref	ECAARM	NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	 
Cc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)nc1O	ZINC000015015668	81/36/68/302813668	RRVPSFRBWPECFX-UUILKARUSA-N	-1	335.236	EC	0.854	2	Mild	low	ECEALM	Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]c1=O	 
Cc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)nc1O	ZINC000015015668	81/36/66/302813666	RRVPSFRBWPECFX-UUILKARUSA-N	-2	335.236	EC	0.854	0	Mild	ref	ECEARL	Cc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[n-]c1=O	 
CCOC(=O)COc1ccccc1/C=N/Nc1nc(=O)c(C)n[nH]1	ZINC000015015669	80/76/70/520807670	OPEOTHCMZCIONX-LZYBPNLTSA-N	-1	331.332	EC	0.861	0	Mild	ref	ECEARM	CCOC(=O)COc1ccccc1/C=N/Nc1nc(=O)c(C)n[n-]1	 
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)c([N+](=O)[O-])c1	ZINC000015016439	97/50/93/294975093	GLTSZOGUTQRIIN-UHFFFAOYSA-N	0	335.272	EC	0.743	2	Clean	low	ECCALN	COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)c([N+](=O)[O-])c1	 
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)c([N+](=O)[O-])c1	ZINC000015016439	97/50/83/294975083	GLTSZOGUTQRIIN-UHFFFAOYSA-N	-1	335.272	EC	0.743	0	Clean	ref	ECCARM	COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c([O-])c([N+](=O)[O-])c1	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000015016903	07/66/93/436076693	MBKRQLPNDTWUHT-LLVKDONJSA-N	0	332.276	EC	0.749	2	Bother	low	ECBALN	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000015016903	07/66/85/436076685	MBKRQLPNDTWUHT-LLVKDONJSA-N	-1	332.276	EC	0.749	0	Bother	ref	ECBARM	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000015016904	07/58/66/436075866	MBKRQLPNDTWUHT-NSHDSACASA-N	0	332.276	EC	0.749	2	Bother	low	ECBALN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000015016904	07/58/52/436075852	MBKRQLPNDTWUHT-NSHDSACASA-N	-1	332.276	EC	0.749	0	Bother	ref	ECBARM	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	 
CC1=NN(c2ccccc2)C(=O)/C1=C/NNc1nc(=O)c(C)n[nH]1	ZINC000018085829	10/36/31/436103631	QXFKEPHBURJYFT-XYOKQWHBSA-N	-1	325.332	EC	0.696	0	Clean	ref	ECCARM	CC1=NN(c2ccccc2)C(=O)/C1=C/NNc1nc(=O)c(C)n[n-]1	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000019814628	07/15/40/212071540	SXIBLICFIHIRMJ-HQQGHWSLSA-N	-2	342.38	EC	0.825	3	Clean	high	ECCAHL	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(C)C1=O	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000019814628	07/15/38/212071538	SXIBLICFIHIRMJ-HQQGHWSLSA-N	0	342.38	EC	0.825	1	Clean	mid	ECCAMN	Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	 
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(C)C1=O	ZINC000019814628	07/15/35/212071535	SXIBLICFIHIRMJ-HQQGHWSLSA-N	-1	342.38	EC	0.825	0	Clean	ref	ECCARM	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCc1cccnc1	ZINC000019831067	02/29/08/202022908	ZONUNZARRHFNJP-UKTHLTGXSA-N	0	326.312	EC	0.927	1	Clean	mid	ECCAMN	O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCc1cccnc1	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCc1cccnc1	ZINC000019831067	02/29/07/202022907	ZONUNZARRHFNJP-UKTHLTGXSA-N	-1	326.312	EC	0.927	0	Clean	ref	ECCARM	O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCc1cccnc1	 
COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1O	ZINC000019842325	07/55/45/212075545	CDILVDVWYRACTP-UHFFFAOYSA-N	-1	326.418	EC	0.695	3	Anodyne	high	ECAAHM	COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1[O-]	 
COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1O	ZINC000019842325	07/55/44/212075544	CDILVDVWYRACTP-UHFFFAOYSA-N	1	326.418	EC	0.695	2	Anodyne	low	ECAALO	COc1cc(C(=S)N2CC[NH+](CCO)CC2)cc(OC)c1O	 
COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1O	ZINC000019842325	07/55/42/212075542	CDILVDVWYRACTP-UHFFFAOYSA-N	0	326.418	EC	0.695	0	Anodyne	ref	ECAARN	COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1O	 
COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1O	ZINC000055459506	38/93/25/277389325	WVPZCEDCBBTJIF-UHFFFAOYSA-N	0	335.272	EC	0.743	1	Clean	mid	ECCAMN	COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1O	 
COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1O	ZINC000055459506	38/93/23/277389323	WVPZCEDCBBTJIF-UHFFFAOYSA-N	-1	335.272	EC	0.743	0	Clean	ref	ECCARM	COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1[O-]	 
O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000060861228	02/23/23/275022323	PSMIWXWLCHVQPK-UHFFFAOYSA-N	-1	337.273	EC	0.33	1	Clean	mid	ECCAMM	O=C1[N-]C(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	 
O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000060861228	02/23/22/275022322	PSMIWXWLCHVQPK-UHFFFAOYSA-N	0	337.273	EC	0.33	0	Clean	ref	ECCARN	O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	 
CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000100193818	09/42/11/219094211	MFOBXSRPEZWSTA-JTQLQIEISA-N	-2	328.353	EC	0.483	3	Clean	high	ECCAHL	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)NC1=O	 
CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000100193818	09/42/10/219094210	MFOBXSRPEZWSTA-JTQLQIEISA-N	0	328.353	EC	0.483	2	Clean	low	ECCALN	Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	 
CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)NC(=S)NC1=O	ZINC000100193818	09/42/08/219094208	MFOBXSRPEZWSTA-JTQLQIEISA-N	-1	328.353	EC	0.483	0	Clean	ref	ECCARM	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	 
NC(=S)N/N=C1\C(=O)Nc2ccc(I)cc21	ZINC000101018461	39/70/73/283397073	CYMDOKFQHWMYFB-UHFFFAOYSA-N	0	346.153	EC	0.781	0	Mild	ref	ECEARN	NC(=S)N/N=C1\C(=O)Nc2ccc(I)cc21	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc(C)n3)N2N1	ZINC000588224898	82/54/32/438825432	IXDZXPRHNXYGJT-HNNXBMFYSA-N	0	337.408	EC	0.896	0	Anodyne	ref	ECABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc(C)n3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc(C)n3)N2N1	ZINC000588224899	82/58/93/438825893	IXDZXPRHNXYGJT-OAHLLOKOSA-N	0	337.408	EC	0.896	0	Anodyne	ref	ECABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc(C)n3)N2N1	 
CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc[nH]3)N2N1	ZINC000588225692	82/56/14/438825614	OVRWWAUAYYCRKQ-AWEZNQCLSA-N	0	325.397	EC	0.911	0	Anodyne	ref	ECABRN	CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc[nH]3)N2N1	 
CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc[nH]3)N2N1	ZINC000588225693	82/61/85/438826185	OVRWWAUAYYCRKQ-CQSZACIVSA-N	0	325.397	EC	0.911	0	Anodyne	ref	ECABRN	CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc[nH]3)N2N1	 
CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccn3C)N2N1	ZINC000588226140	82/50/15/438825015	MJGOVYAEPHCJBG-HNNXBMFYSA-N	0	339.424	EC	0.921	0	Anodyne	ref	ECABRN	CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccn3C)N2N1	 
CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccn3C)N2N1	ZINC000588226145	82/54/27/438825427	MJGOVYAEPHCJBG-OAHLLOKOSA-N	0	339.424	EC	0.921	0	Anodyne	ref	ECABRN	CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccn3C)N2N1