Fc1cnc(N2CCOCC2)nc1N1CCOCC1	ZINC000000040794	93/75/32/347937532	IHXWLXYUTBRCKB-UHFFFAOYSA-N	0	268.292	CC	0.289	0	Anodyne	ref	CCAARN	Fc1cnc(N2CCOCC2)nc1N1CCOCC1	 
Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)c(C)c1	ZINC000000059281	93/83/57/347938357	XWQROKAIYDHTRK-UHFFFAOYSA-N	-1	290.348	CC	0.635	1	Clean	mid	CCCAMM	Cc1ccc(NNC=C2C(=O)[N-]C(=S)NC2=O)c(C)c1	 
Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)c(C)c1	ZINC000000059281	93/83/50/347938350	XWQROKAIYDHTRK-UHFFFAOYSA-N	0	290.348	CC	0.635	0	Clean	ref	CCCARN	Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)c(C)c1	 
Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)NC3=O)ccc21	ZINC000000094624	59/49/58/282594958	LDLYWVUBEZLXBM-VMPITWQZSA-N	0	272.264	CC	0.057	1	Anodyne	mid	CCAAMN	Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)NC3=O)ccc21	 
Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)NC3=O)ccc21	ZINC000000094624	59/49/53/282594953	LDLYWVUBEZLXBM-VMPITWQZSA-N	-1	272.264	CC	0.057	0	Anodyne	ref	CCAARM	Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)[N-]C3=O)ccc21	 
CN1C(=O)NC(=O)/C(=C\c2ccc(C(=O)O)cc2)C1=O	ZINC000000181853	85/06/76/289850676	FOCATHRHRUAECA-RMKNXTFCSA-N	-1	274.232	CC	0.476	1	Clean	mid	CCCAMM	CN1C(=O)NC(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1=O	 
CN1C(=O)NC(=O)/C(=C\c2ccc(C(=O)O)cc2)C1=O	ZINC000000181853	85/06/69/289850669	FOCATHRHRUAECA-RMKNXTFCSA-N	-2	274.232	CC	0.476	0	Clean	ref	CCCARL	CN1C(=O)[N-]C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1=O	 
Cc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	ZINC000000206485	57/42/19/169574219	ZHEBRRWFMCHRRS-UHFFFAOYSA-N	-1	261.306	CC	0.822	1	Clean	mid	CCCAMM	Cc1cccc(NC=C2C(=O)[N-]C(=S)NC2=O)c1	 
Cc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	ZINC000000206485	57/42/18/169574218	ZHEBRRWFMCHRRS-UHFFFAOYSA-N	0	261.306	CC	0.822	0	Clean	ref	CCCARN	Cc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	 
CN1C(=O)C(=Cc2ccco2)C(=O)N(C)C1=S	ZINC000000295444	00/61/69/277006169	FUKBBMCEDYTEJE-UHFFFAOYSA-N	0	250.279	CC	0.878	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2ccco2)C(=O)N(C)C1=S	 
COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)NC1=O	ZINC000000303090	94/40/40/347944040	TZVCFZNBOSHPQL-VMPITWQZSA-N	0	263.209	CC	0.784	1	Bother	mid	CCBAMN	COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)NC1=O	 
COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)NC1=O	ZINC000000303090	94/40/38/347944038	TZVCFZNBOSHPQL-VMPITWQZSA-N	-1	263.209	CC	0.784	0	Bother	ref	CCBARM	COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)[N-]C1=O	 
CN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=S	ZINC000000331929	88/29/22/276882922	BCDWXJWVSZPBFA-UHFFFAOYSA-N	0	293.348	CC	0.944	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=S	 
NC(=S)N/N=C/c1ccccc1OCC(=O)O	ZINC000000374546	94/61/31/347946131	LHFQPXUCRSIVJS-LFYBBSHMSA-N	-1	253.283	CC	0.317	0	Mild	ref	CCEARM	NC(=S)N/N=C/c1ccccc1OCC(=O)[O-]	 
Cc1cc(C)c2c(c1)[C@@](O)(N1CCOCC1)C(=O)N2	ZINC000000440573	43/62/47/301436247	HGFYELXKZPKSOD-AWEZNQCLSA-N	0	262.309	CC	0.733	0	Anodyne	ref	CCAARN	Cc1cc(C)c2c(c1)[C@@](O)(N1CCOCC1)C(=O)N2	 
Cc1cc(C)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2	ZINC000000440574	75/32/34/388753234	HGFYELXKZPKSOD-CQSZACIVSA-N	0	262.309	CC	0.733	0	Anodyne	ref	CCAARN	Cc1cc(C)c2c(c1)[C@](O)(N1CCOCC1)C(=O)N2	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(Cl)c1	ZINC000000443961	94/75/91/347947591	HVLJHVXFTFHSDY-UHFFFAOYSA-N	-2	282.708	CC	0.96	3	Clean	high	CCCAHL	O=C1[N-]C(=S)NC(=O)C1=Cc1ccc([O-])c(Cl)c1	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(Cl)c1	ZINC000000443961	94/75/90/347947590	HVLJHVXFTFHSDY-UHFFFAOYSA-N	0	282.708	CC	0.96	0	Clean	ref	CCCARN	O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(Cl)c1	 
COC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC	ZINC000000445324	94/75/92/347947592	NGVSYSVPWYBUHA-OMCISZLKSA-N	0	290.279	CC	0.721	0	Mild	ref	CCEARN	COC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC	 
CN(C)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	ZINC000000450676	28/82/56/282288256	PEAMTRRQHWVXAT-UHFFFAOYSA-N	-1	265.294	CC	0.26	1	Clean	mid	CCCAMM	CN(C)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	 
CN(C)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	ZINC000000450676	28/82/46/282288246	PEAMTRRQHWVXAT-UHFFFAOYSA-N	0	265.294	CC	0.26	0	Clean	ref	CCCARN	CN(C)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	 
CN1C(=O)C(=Cc2cccc(O)c2)C(=O)N(C)C1=S	ZINC000000450869	00/62/14/277006214	MLNZNBKHDYEEFP-UHFFFAOYSA-N	0	276.317	CC	0.991	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2cccc(O)c2)C(=O)N(C)C1=S	 
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000000458074	94/82/47/347948247	VUSKUMDTTWLJHB-SECBINFHSA-N	0	281.224	CC	0.989	0	Bother	ref	CCBARN	COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	 
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000000458075	94/83/04/347948304	VUSKUMDTTWLJHB-VIFPVBQESA-N	0	281.224	CC	0.989	0	Bother	ref	CCBARN	COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	 
O=C1NC(=S)NC(=O)C1=Cc1cccc(O)c1Cl	ZINC000000466989	28/13/07/280281307	AIPQICYOXMMWSQ-UHFFFAOYSA-N	-2	282.708	CC	0.96	3	Clean	high	CCCAHL	O=C1[N-]C(=S)NC(=O)C1=Cc1cccc([O-])c1Cl	 
O=C1NC(=S)NC(=O)C1=Cc1cccc(O)c1Cl	ZINC000000466989	28/13/01/280281301	AIPQICYOXMMWSQ-UHFFFAOYSA-N	0	282.708	CC	0.96	0	Clean	ref	CCCARN	O=C1NC(=S)NC(=O)C1=Cc1cccc(O)c1Cl	 
CCOc1cc2c(cc1/C=C1/NC(=O)NC1=O)OCO2	ZINC000000474054	94/82/83/347948283	RYIPKAFCFUVNEQ-FPYGCLRLSA-N	0	276.248	CC	0.994	1	Anodyne	mid	CCAAMN	CCOc1cc2c(cc1/C=C1/NC(=O)NC1=O)OCO2	 
CCOc1cc2c(cc1/C=C1/NC(=O)NC1=O)OCO2	ZINC000000474054	94/82/79/347948279	RYIPKAFCFUVNEQ-FPYGCLRLSA-N	-1	276.248	CC	0.994	0	Anodyne	ref	CCAARM	CCOc1cc2c(cc1/C=C1/NC(=O)[N-]C1=O)OCO2	 
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1C	ZINC000000478995	63/13/39/291631339	AATVNHRFKKDHFE-UXBLZVDNSA-N	-1	277.349	CC	0.898	1	Clean	mid	CCCAMM	Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1C	 
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1C	ZINC000000478995	63/13/35/291631335	AATVNHRFKKDHFE-UXBLZVDNSA-N	0	277.349	CC	0.898	0	Clean	ref	CCCARN	Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1C	 
CNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	ZINC000000563716	27/23/54/264272354	ATRXXSJUBNLQET-UXBLZVDNSA-N	0	259.265	CC	0.204	0	Reactive	ref	CCGARN	CNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	 
C[C@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)O	ZINC000000573778	95/06/67/347950667	OWTWMCDGDJMLEM-FSEMZKDTSA-N	-1	276.248	CC	0.719	1	Anodyne	mid	CCAAMM	C[C@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)[O-]	 
C[C@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)O	ZINC000000573778	95/06/61/347950661	OWTWMCDGDJMLEM-FSEMZKDTSA-N	-2	276.248	CC	0.719	0	Anodyne	ref	CCAARL	C[C@H](Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1)C(=O)[O-]	 
C[C@@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)O	ZINC000000573781	95/07/70/347950770	OWTWMCDGDJMLEM-VSUWBIFXSA-N	-1	276.248	CC	0.719	1	Anodyne	mid	CCAAMM	C[C@@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)[O-]	 
C[C@@H](Oc1ccc(/C=C2/NC(=O)NC2=O)cc1)C(=O)O	ZINC000000573781	95/07/68/347950768	OWTWMCDGDJMLEM-VSUWBIFXSA-N	-2	276.248	CC	0.719	0	Anodyne	ref	CCAARL	C[C@@H](Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1)C(=O)[O-]	 
CN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S	ZINC000001407305	60/44/43/282604443	NNMUJOBCHREBAW-RMKNXTFCSA-N	-1	262.29	CC	0.649	1	Clean	mid	CCCAMM	CN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S	ZINC000001407305	60/44/39/282604439	NNMUJOBCHREBAW-RMKNXTFCSA-N	0	262.29	CC	0.649	0	Clean	ref	CCCARN	CN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S	 
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(C)C1=O	ZINC000002819868	75/64/38/388756438	PQIXEVBCIWHNHM-UHFFFAOYSA-N	0	288.259	CC	0.849	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N(C)C1=O	in-vitro biogenic
CN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=O	ZINC000002820745	80/21/59/276802159	NOJVKXGYNBCUHD-UHFFFAOYSA-N	0	277.28	CC	0.779	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=O	 
CCC(=O)Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002825185	97/36/97/347973697	ZSAWWTRUEQEZOE-UHFFFAOYSA-N	0	288.259	CC	0.751	1	Clean	mid	CCCAMN	CCC(=O)Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	 
CCC(=O)Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002825185	97/36/91/347973691	ZSAWWTRUEQEZOE-UHFFFAOYSA-N	-1	288.259	CC	0.751	0	Clean	ref	CCCARM	CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	 
O=C1NC(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	ZINC000002834613	97/36/46/347973646	LYUQGBRPSZAELR-UHFFFAOYSA-N	-2	266.64	CC	0.795	3	Clean	high	CCCAHL	O=C1[N-]C(=O)C(=Cc2cccc([O-])c2Cl)C(=O)N1	 
O=C1NC(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	ZINC000002834613	97/36/41/347973641	LYUQGBRPSZAELR-UHFFFAOYSA-N	0	266.64	CC	0.795	1	Clean	mid	CCCAMN	O=C1NC(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	 
O=C1NC(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	ZINC000002834613	97/36/33/347973633	LYUQGBRPSZAELR-UHFFFAOYSA-N	-1	266.64	CC	0.795	0	Clean	ref	CCCARM	O=C1[N-]C(=O)C(=Cc2cccc(O)c2Cl)C(=O)N1	 
O=C(CN1C(=O)CNC1=O)Nc1ccc(Cl)cc1	ZINC000002840317	97/35/42/347973542	XRQVMGXCAQSQFG-UHFFFAOYSA-N	0	267.672	CC	0.83	0	Anodyne	ref	CCAARN	O=C(CN1C(=O)CNC1=O)Nc1ccc(Cl)cc1	 
O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCOCC1	ZINC000002845945	83/70/08/169837008	BRVIAGKWHYGVTF-UHFFFAOYSA-N	0	283.309	CC	0.941	0	Bother	ref	CCBARN	O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCOCC1	 
CN1C(=O)C(=Cc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O	ZINC000002889629	79/07/01/289790701	AQSYFFQBGWKBLD-UHFFFAOYSA-N	-1	288.259	CC	0.819	0	Clean	ref	CCCARM	CN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)C(=O)N(C)C1=O	 
C#CCOc1ccc(/C=C2\NC(=O)NC2=O)cc1OC	ZINC000002986469	97/56/40/347975640	ROXGXKXPDDXREL-YFHOEESVSA-N	0	272.26	CC	0.888	1	Mild	mid	CCEAMN	C#CCOc1ccc(/C=C2\NC(=O)NC2=O)cc1OC	 
C#CCOc1ccc(/C=C2\NC(=O)NC2=O)cc1OC	ZINC000002986469	97/56/32/347975632	ROXGXKXPDDXREL-YFHOEESVSA-N	-1	272.26	CC	0.888	0	Mild	ref	CCEARM	C#CCOc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1OC	 
CN1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N(C)C1=O	ZINC000002990197	84/75/36/169847536	SEPYQEWJGGPRMA-UHFFFAOYSA-N	0	276.248	CC	0.532	0	Clean	ref	CCCARN	CN1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N(C)C1=O	 
Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003066973	97/65/04/347976504	BDGPJGHUARYMND-UHFFFAOYSA-N	-1	276.321	CC	0.326	1	Clean	mid	CCCAMM	Cc1ccc(NNC=C2C(=O)[N-]C(=S)NC2=O)cc1	 
Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003066973	97/65/00/347976500	BDGPJGHUARYMND-UHFFFAOYSA-N	0	276.321	CC	0.326	0	Clean	ref	CCCARN	Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)cc1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cn1	ZINC000003067014	97/67/47/347976747	IYAXBXGQAHUQHG-UHFFFAOYSA-N	-1	282.712	CC	0.562	1	Clean	mid	CCCAMM	O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Cl)cn1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cn1	ZINC000003067014	97/67/38/347976738	IYAXBXGQAHUQHG-UHFFFAOYSA-N	0	282.712	CC	0.562	0	Clean	ref	CCCARN	O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cn1	 
COC(=O)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003156063	15/79/97/277157997	XUFVBFPHHPJPRB-UHFFFAOYSA-N	-1	290.3	CC	0.387	1	Clean	mid	CCCAMM	COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	 
COC(=O)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003156063	15/79/95/277157995	XUFVBFPHHPJPRB-UHFFFAOYSA-N	0	290.3	CC	0.387	0	Clean	ref	CCCARN	COC(=O)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	 
CCOc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003156248	86/14/54/169861454	BIKOUTHLQHGNHL-UHFFFAOYSA-N	-1	291.332	CC	0.912	1	Clean	mid	CCCAMM	CCOc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	 
CCOc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003156248	86/14/53/169861453	BIKOUTHLQHGNHL-UHFFFAOYSA-N	0	291.332	CC	0.912	0	Clean	ref	CCCARN	CCOc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	 
CN1C(=O)C(=Cc2ccc(C#N)cc2)C(=O)N(C)C1=O	ZINC000003266049	00/60/51/277006051	PLBDCPBJKATFGC-UHFFFAOYSA-N	0	269.26	CC	0.992	0	Mild	ref	CCEARN	CN1C(=O)C(=Cc2ccc(C#N)cc2)C(=O)N(C)C1=O	 
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1	ZINC000003878987	98/66/66/347986666	BDAVLMHMNBYEQM-UHFFFAOYSA-N	-1	292.276	CC	0.422	1	Clean	mid	CCCAMM	O=C1[N-]C(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1	ZINC000003878987	98/66/60/347986660	BDAVLMHMNBYEQM-UHFFFAOYSA-N	0	292.276	CC	0.422	0	Clean	ref	CCCARN	O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1	 
COC(=O)Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21	ZINC000003903070	98/72/66/347987266	WUDSGFIAKURCIL-IZZDOVSWSA-N	0	299.286	CC	0.995	1	Anodyne	mid	CCAAMN	COC(=O)Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21	 
COC(=O)Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21	ZINC000003903070	98/72/58/347987258	WUDSGFIAKURCIL-IZZDOVSWSA-N	-1	299.286	CC	0.995	0	Anodyne	ref	CCAARM	COC(=O)Cn1cc(/C=C2/NC(=O)[N-]C2=O)c2ccccc21	 
O=C1Nc2ccc([N+](=O)[O-])cc2[C@]1(O)N1CCOCC1	ZINC000004155880	30/34/73/280303473	FTLWAFXNQCWRGD-GFCCVEGCSA-N	0	279.252	CC	0.024	0	Bother	ref	CCBARN	O=C1Nc2ccc([N+](=O)[O-])cc2[C@]1(O)N1CCOCC1	 
O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]1(O)N1CCOCC1	ZINC000004155881	40/02/75/296400275	FTLWAFXNQCWRGD-LBPRGKRZSA-N	0	279.252	CC	0.024	0	Bother	ref	CCBARN	O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]1(O)N1CCOCC1	 
COCc1cc(C)n(CC(=O)OC)c(=O)c1C#N	ZINC000004594538	99/93/09/347999309	PPKNBAKSTIILTI-UHFFFAOYSA-N	0	250.254	CC	0.348	0	Mild	ref	CCEARN	COCc1cc(C)n(CC(=O)OC)c(=O)c1C#N	 
CCOc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OC	ZINC000004660060	99/90/91/347999091	URUUMTLSEVPPHK-UHFFFAOYSA-N	0	290.275	CC	0.843	1	Clean	mid	CCCAMN	CCOc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OC	 
CCOc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OC	ZINC000004660060	99/90/84/347999084	URUUMTLSEVPPHK-UHFFFAOYSA-N	-1	290.275	CC	0.843	0	Clean	ref	CCCARM	CCOc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OC	 
CN1C(=O)/C(=C/c2cccc(O)c2)C(=O)NC1=S	ZINC000004672825	00/55/74/277005574	YBEMKYVQCFXPLR-RMKNXTFCSA-N	-1	262.29	CC	0.649	1	Clean	mid	CCCAMM	CN1C(=O)/C(=C/c2cccc(O)c2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2cccc(O)c2)C(=O)NC1=S	ZINC000004672825	00/55/68/277005568	YBEMKYVQCFXPLR-RMKNXTFCSA-N	0	262.29	CC	0.649	0	Clean	ref	CCCARN	CN1C(=O)/C(=C/c2cccc(O)c2)C(=O)NC1=S	 
CCOC(=O)C1(C(=O)OCC)Oc2ccccc2[C@H]1O	ZINC000004690420	00/00/84/348000084	ZTZBFSUSPSZRQQ-LLVKDONJSA-N	0	280.276	CC	0.977	0	Anodyne	ref	CCAARN	CCOC(=O)C1(C(=O)OCC)Oc2ccccc2[C@H]1O	 
CCOC(=O)C1(C(=O)OCC)Oc2ccccc2[C@@H]1O	ZINC000004690421	00/03/36/348000336	ZTZBFSUSPSZRQQ-NSHDSACASA-N	0	280.276	CC	0.977	0	Anodyne	ref	CCAARN	CCOC(=O)C1(C(=O)OCC)Oc2ccccc2[C@@H]1O	 
CN1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S	ZINC000004724066	76/02/94/388760294	KMUJJGGRMAURCW-SOFGYWHQSA-N	-1	262.29	CC	0.649	1	Clean	mid	CCCAMM	CN1C(=O)/C(=C/c2ccccc2O)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S	ZINC000004724066	76/02/87/388760287	KMUJJGGRMAURCW-SOFGYWHQSA-N	0	262.29	CC	0.649	0	Clean	ref	CCCARN	CN1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S	 
COC(=O)CN1C(=O)N/C(=C/c2cccc(F)c2)C1=O	ZINC000004813715	02/19/84/170021984	YVKWSTVQZHHGTK-UXBLZVDNSA-N	0	278.239	CC	0.891	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2cccc(F)c2)C1=O	 
COc1cc(C)c(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000004997964	05/21/69/170052169	OEQACIXINWQOCO-UHFFFAOYSA-N	0	290.275	CC	0.762	1	Clean	mid	CCCAMN	COc1cc(C)c(C=C2C(=O)NC(=O)NC2=O)cc1OC	 
COc1cc(C)c(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000004997964	05/21/67/170052167	OEQACIXINWQOCO-UHFFFAOYSA-N	-1	290.275	CC	0.762	0	Clean	ref	CCCARM	COc1cc(C)c(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	 
COC(=O)CN1C(=O)N/C(=C/c2cccs2)C1=O	ZINC000005006445	05/44/35/170054435	BZTJZDJTBRXAAE-VMPITWQZSA-N	0	266.278	CC	0.814	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2cccs2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O	ZINC000005006450	05/41/67/170054167	CWPSDWMWZYKAEL-YRNVUSSQSA-N	0	290.275	CC	0.761	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)cc2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O	ZINC000005006463	05/42/32/170054232	YDHMKJHUQKZLTM-UXBLZVDNSA-N	0	276.248	CC	0.458	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(O)cc2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccccc2OC)C1=O	ZINC000005006466	05/44/20/170054420	XIHQRNLMDLFYRG-JXMROGBWSA-N	0	290.275	CC	0.761	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccccc2OC)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O	ZINC000005006478	05/42/98/170054298	HRJJQNWVEWRVIU-UXBLZVDNSA-N	0	278.239	CC	0.891	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2)C1=O	ZINC000005006540	05/44/54/170054454	YSCPFWOBZMIWKU-YRNVUSSQSA-N	0	290.275	CC	0.761	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccccc2F)C1=O	ZINC000005006566	05/42/78/170054278	LOLOCCLUMFOEOY-UXBLZVDNSA-N	0	278.239	CC	0.891	0	Anodyne	ref	CCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccccc2F)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(C#N)cc2)C1=O	ZINC000005006657	05/42/13/170054213	KHABJZKIKHUSQA-IZZDOVSWSA-N	0	285.259	CC	0.624	0	Mild	ref	CCEARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(C#N)cc2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C)c2C)C1=O	ZINC000005006707	05/44/42/170054442	BKIILKDEPRQUKF-IZZDOVSWSA-N	0	291.307	CC	0.708	0	Clean	ref	CCCARN	COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C)c2C)C1=O	 
O=C(O)CN1C(=O)N/C(=C/c2cccs2)C1=O	ZINC000005018714	05/61/91/170056191	FNYNRQKMBGBCPH-QPJJXVBHSA-N	-1	252.251	CC	0.725	0	Anodyne	ref	CCAARM	O=C([O-])CN1C(=O)N/C(=C/c2cccs2)C1=O	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1	ZINC000005018720	05/59/66/170055966	XMXQLRKCBAWJOQ-UXBLZVDNSA-N	-1	276.248	CC	0.672	0	Anodyne	ref	CCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	 
O=C(O)CN1C(=O)N/C(=C/c2ccc3c(c2)OCO3)C1=O	ZINC000005018722	05/59/52/170055952	KFDYUESLZFFWDP-FPYGCLRLSA-N	-1	290.231	CC	0.393	0	Anodyne	ref	CCAARM	O=C([O-])CN1C(=O)N/C(=C/c2ccc3c(c2)OCO3)C1=O	 
COc1ccccc1/C=C1/NC(=O)N(CC(=O)O)C1=O	ZINC000005018734	05/61/47/170056147	FLGJBQHXZHNUAY-RMKNXTFCSA-N	-1	276.248	CC	0.672	0	Anodyne	ref	CCAARM	COc1ccccc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	 
Cc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1	ZINC000005018737	76/11/56/388761156	HIZIFSFFGXWHJF-UXBLZVDNSA-N	-1	260.249	CC	0.972	0	Anodyne	ref	CCAARM	Cc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	 
O=C(O)CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O	ZINC000005018748	05/63/00/170056300	BRNHSDNJWUOPSB-WEVVVXLNSA-N	-1	264.212	CC	0.803	0	Anodyne	ref	CCAARM	O=C([O-])CN1C(=O)N/C(=C/c2ccc(F)cc2)C1=O	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1C	ZINC000005018765	05/60/45/170056045	BJICPPSPPVKSEO-UXBLZVDNSA-N	-1	290.275	CC	0.981	0	Anodyne	ref	CCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1C	 
O=C(O)CN1C(=O)N/C(=C/c2ccc(C(=O)O)cc2)C1=O	ZINC000005018775	05/59/29/170055929	FNPKODDASDGACN-WEVVVXLNSA-N	-2	290.231	CC	0.362	0	Anodyne	ref	CCAARL	O=C([O-])CN1C(=O)N/C(=C/c2ccc(C(=O)[O-])cc2)C1=O	 
COc1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1O	ZINC000005018823	05/65/22/170056522	UIZVHHKXPYSLKM-XBXARRHUSA-N	-1	292.247	CC	0.378	0	Anodyne	ref	CCAARM	COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1O	 
CCOC(=O)COc1ccccc1/C=N/NC(N)=S	ZINC000005574837	11/54/15/170115415	CNTPSXDEOQPKMS-VGOFMYFVSA-N	0	281.337	CC	0.796	0	Mild	ref	CCEARN	CCOC(=O)COc1ccccc1/C=N/NC(N)=S	 
O=C1NC(=S)NC(=O)C1=CNc1ccccc1O	ZINC000005687405	12/96/07/170129607	CKJYHZKAZIFMLX-UHFFFAOYSA-N	-1	263.278	CC	0.219	1	Clean	mid	CCCAMM	O=C1[N-]C(=S)NC(=O)C1=CNc1ccccc1O	 
O=C1NC(=S)NC(=O)C1=CNc1ccccc1O	ZINC000005687405	12/96/05/170129605	CKJYHZKAZIFMLX-UHFFFAOYSA-N	0	263.278	CC	0.219	0	Clean	ref	CCCARN	O=C1NC(=S)NC(=O)C1=CNc1ccccc1O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Cl)cc1O	ZINC000005915386	15/49/32/170154932	XFSXNSCADDBHIV-UHFFFAOYSA-N	0	296.666	CC	0.804	1	Clean	mid	CCCAMN	COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Cl)cc1O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Cl)cc1O	ZINC000005915386	15/49/31/170154931	XFSXNSCADDBHIV-UHFFFAOYSA-N	-1	296.666	CC	0.804	0	Clean	ref	CCCARM	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Cl)cc1O