COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)N(C)C(=S)N=C1O	ZINC000000658756	25/82/65/210258265	OTEJAPJLPDKAQT-XBXARRHUSA-N	-1	351.34	FD	1.709	1	Clean	mid	FDCAMM	COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=S)N(C)C1=O	 
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)N(C)C(=S)N=C1O	ZINC000000658756	25/82/62/210258262	OTEJAPJLPDKAQT-XBXARRHUSA-N	0	351.34	FD	1.709	0	Clean	ref	FDCARN	COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(C)C1=O	 
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(C)C1=O	ZINC000000658772	21/65/32/518216532	HUXBQBTYOJEJNA-RMKNXTFCSA-N	-1	355.213	FD	1.714	1	Clean	mid	FDCAMM	COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)N(C)C1=O	 
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(C)C1=O	ZINC000000658772	21/65/19/518216519	HUXBQBTYOJEJNA-RMKNXTFCSA-N	0	355.213	FD	1.714	0	Clean	ref	FDCARN	COc1ccc(Br)cc1C=C1C(=O)NC(=S)N(C)C1=O	 
COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1	ZINC000000661401	21/68/07/518216807	CXUOJUWLZWHGCI-GXDHUFHOSA-N	0	367.361	FD	1.893	1	Anodyne	mid	FDAAMN	COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1	 
COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1	ZINC000000661401	21/67/96/518216796	CXUOJUWLZWHGCI-GXDHUFHOSA-N	-1	367.361	FD	1.893	0	Anodyne	ref	FDAARM	COc1cccc(/C=C2/NC(=O)[N-]C2=O)c1OCC(=O)Nc1ccccc1	 
CN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1	ZINC000000802405	37/85/68/132378568	FMELALYLOZMLJI-UHFFFAOYSA-N	1	356.449	FD	1.694	2	Anodyne	low	FDAALO	C[NH+]1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1	 
CN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1	ZINC000000802405	37/85/67/132378567	FMELALYLOZMLJI-UHFFFAOYSA-N	0	356.449	FD	1.694	0	Anodyne	ref	FDAARN	CN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1	 
O=C1Nc2ccc(I)cc2[C@@]1(O)N1CCCCC1	ZINC000000826804	32/75/09/219327509	JJKVNABUIYNVGL-ZDUSSCGKSA-N	0	358.179	FD	1.874	0	Anodyne	ref	FDAARN	O=C1Nc2ccc(I)cc2[C@@]1(O)N1CCCCC1	 
O=C1Nc2ccc(I)cc2[C@]1(O)N1CCCCC1	ZINC000000826805	32/78/83/219327883	JJKVNABUIYNVGL-CYBMUJFWSA-N	0	358.179	FD	1.874	0	Anodyne	ref	FDAARN	O=C1Nc2ccc(I)cc2[C@]1(O)N1CCCCC1	 
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(N)=O	ZINC000000854025	63/00/18/263630018	UARTUFJZNRVFHH-RIYZIHGNSA-N	0	369.377	FD	1.766	0	Reactive	ref	FDGARN	CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(N)=O	 
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2)nc1N	ZINC000000872577	33/44/23/219334423	FVAPRORHGFRWSI-UHFFFAOYSA-N	0	362.411	FD	1.975	0	Anodyne	ref	FDAARN	CCOC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2)nc1N	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000956282	34/69/01/219346901	HTWBLGWKTKTFNZ-CYBMUJFWSA-N	0	361.358	FD	1.161	0	Anodyne	ref	FDAARN	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000956283	22/42/07/518224207	HTWBLGWKTKTFNZ-ZDUSSCGKSA-N	0	361.358	FD	1.161	0	Anodyne	ref	FDAARN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(OC)c(OC)c(OC)c1	 
C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C1=O	ZINC000000979993	34/85/83/219348583	YAQUQXNLNCMSGZ-NTEUORMPSA-N	0	361.375	FD	1.916	0	Mild	ref	FDEARN	C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C1=O	 
O=C1NC(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	ZINC000000999236	22/61/43/518226143	VDTHZLBGOYWPAT-UHFFFAOYSA-N	-1	363.949	FD	1.554	1	Clean	mid	FDCAMM	O=C1[N-]C(=O)/C(=C\c2cc(Br)c(Br)o2)C(=O)N1	 
O=C1NC(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	ZINC000000999236	22/61/39/518226139	VDTHZLBGOYWPAT-UHFFFAOYSA-N	-1	363.949	FD	1.554	1	Clean	mid	FDCAMM	O=C1[N-]C(=O)/C(=C/c2cc(Br)c(Br)o2)C(=O)N1	 
O=C1NC(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	ZINC000000999236	22/61/31/518226131	VDTHZLBGOYWPAT-UHFFFAOYSA-N	0	363.949	FD	1.554	1	Clean	mid	FDCAMN	O=C1NC(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	 
O=C1NC(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	ZINC000000999236	22/61/23/518226123	VDTHZLBGOYWPAT-UHFFFAOYSA-N	-1	363.949	FD	1.554	0	Clean	ref	FDCARM	O=C1[N-]C(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N1	 
CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	ZINC000001093640	63/22/59/263632259	GSZWSSMONJPEIX-NTEUORMPSA-N	0	358.423	FD	1.395	0	Reactive	ref	FDGARN	CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	 
CCOC(=O)COc1ccc(Br)cc1/C=N/n1cnnc1	ZINC000001104476	36/93/27/219369327	AIEGDIMVNLJHAI-UBKPWBPPSA-N	0	353.176	FD	1.865	0	Mild	ref	FDEARN	CCOC(=O)COc1ccc(Br)cc1/C=N/n1cnnc1	 
Cc1c([C@]2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C	ZINC000001115802	37/26/24/219372624	NCPPLSMWMMYJBL-IBGZPJMESA-N	0	353.353	FD	1.812	0	Anodyne	ref	FDAARN	Cc1c([C@]2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C	 
Cc1c([C@@]2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C	ZINC000001115805	31/95/97/210319597	NCPPLSMWMMYJBL-LJQANCHMSA-N	0	353.353	FD	1.812	0	Anodyne	ref	FDAARN	Cc1c([C@@]2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C	 
COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	ZINC000001136362	37/81/27/219378127	ZKFUQMTWOMLNLQ-UHFFFAOYSA-N	-1	359.563	FD	1.861	1	Clean	mid	FDCAMM	COc1c(Br)cc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	 
COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	ZINC000001136362	37/81/26/219378126	ZKFUQMTWOMLNLQ-UHFFFAOYSA-N	-1	359.563	FD	1.861	1	Clean	mid	FDCAMM	COc1c(Br)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	 
COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	ZINC000001136362	37/81/22/219378122	ZKFUQMTWOMLNLQ-UHFFFAOYSA-N	0	359.563	FD	1.861	1	Clean	mid	FDCAMN	COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	 
COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	ZINC000001136362	37/81/18/219378118	ZKFUQMTWOMLNLQ-UHFFFAOYSA-N	-1	359.563	FD	1.861	0	Clean	ref	FDCARM	COc1c(Br)cc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	 
CN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=S	ZINC000001147402	32/65/81/210326581	IRZVHDLSGZVPEA-UHFFFAOYSA-N	0	370.39	FD	1.984	0	Clean	ref	FDCARN	CN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=S	 
COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O	ZINC000001147409	38/03/85/219380385	DWFWMYPLTQRBIO-UUILKARUSA-N	0	351.336	FD	1.633	0	Anodyne	ref	FDAARN	COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2OC)OCO3)C1=O	 
CN1C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=S	ZINC000001150572	38/16/86/219381686	LMFCGMGPBGFOHL-UHFFFAOYSA-N	0	370.39	FD	1.984	0	Clean	ref	FDCARN	CN1C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=S	 
C#CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O	ZINC000001151087	74/05/31/206740531	IXHINDGCYKFUAS-NTEUORMPSA-N	0	360.391	FD	1.619	0	Mild	ref	FDEARN	C#CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O	 
C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)NC1=S	ZINC000001153898	74/11/98/206741198	FYCXXSRQGFGRAW-JLHYYAGUSA-N	-1	374.418	FD	1.441	1	Mild	mid	FDEAMM	C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)NC1=S	ZINC000001153898	74/11/95/206741195	FYCXXSRQGFGRAW-JLHYYAGUSA-N	0	374.418	FD	1.441	0	Mild	ref	FDEARN	C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)NC1=S	 
CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)NC1=O	ZINC000001154718	22/75/84/518227584	CGWRJNHWOMMWBD-UXBLZVDNSA-N	0	369.171	FD	1.571	1	Anodyne	mid	FDAAMN	CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)NC1=O	 
CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)NC1=O	ZINC000001154718	22/75/70/518227570	CGWRJNHWOMMWBD-UXBLZVDNSA-N	-1	369.171	FD	1.571	0	Anodyne	ref	FDAARM	CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)[N-]C1=O	 
COC(=O)CN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O	ZINC000001157297	32/80/56/210328056	UIYVOMXHWLJMKX-NTUHNPAUSA-N	0	367.379	FD	1.922	0	Anodyne	ref	FDAARN	COC(=O)CN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O	 
CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br	ZINC000001157758	32/71/67/210327167	ZCOMZTNQSFOYFS-UXBLZVDNSA-N	0	369.171	FD	1.571	1	Anodyne	mid	FDAAMN	CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br	 
CCOC(=O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br	ZINC000001157758	32/71/61/210327161	ZCOMZTNQSFOYFS-UXBLZVDNSA-N	-1	369.171	FD	1.571	0	Anodyne	ref	FDAARM	CCOC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br	 
CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	ZINC000001159646	14/33/76/263143376	RGHVIEKNOWIWMT-NSHDSACASA-N	-1	351.315	FD	1.5	3	Bother	high	FDBAHM	CCOc1c([O-])ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	 
CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	ZINC000001159646	14/33/75/263143375	RGHVIEKNOWIWMT-NSHDSACASA-N	0	351.315	FD	1.5	0	Bother	ref	FDBARN	CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	 
CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	ZINC000001159647	32/70/54/210327054	RGHVIEKNOWIWMT-LLVKDONJSA-N	-1	351.315	FD	1.5	3	Bother	high	FDBAHM	CCOc1c([O-])ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	 
CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	ZINC000001159647	32/70/52/210327052	RGHVIEKNOWIWMT-LLVKDONJSA-N	0	351.315	FD	1.5	0	Bother	ref	FDBARN	CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	 
COc1ccc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	ZINC000001160510	22/66/49/518226649	PZJABSOEKSQDIG-UHFFFAOYSA-N	0	353.172	FD	1.891	0	Clean	ref	FDCARN	COc1ccc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	 
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C	ZINC000001161663	22/77/56/518227756	ZFSAWIBXFVHVNW-UHFFFAOYSA-N	0	367.361	FD	1.63	1	Clean	mid	FDCAMN	COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C	 
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C	ZINC000001161663	22/77/44/518227744	ZFSAWIBXFVHVNW-UHFFFAOYSA-N	-1	367.361	FD	1.63	0	Clean	ref	FDCARM	COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	 
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC	ZINC000001167825	22/69/97/518226997	MXXSYVOWIZCUCU-XBXARRHUSA-N	0	374.134	FD	1.489	1	Anodyne	mid	FDAAMN	COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC	 
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OC	ZINC000001167825	22/69/84/518226984	MXXSYVOWIZCUCU-XBXARRHUSA-N	-1	374.134	FD	1.489	0	Anodyne	ref	FDAARM	COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OC	 
CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000001172664	22/90/88/518229088	GRFZWGXSQUCKRK-LBPRGKRZSA-N	0	356.407	FD	1.167	1	Clean	mid	FDCAMN	Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=S)N(C)C1=O	 
CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000001172664	22/90/68/518229068	GRFZWGXSQUCKRK-LBPRGKRZSA-N	-1	356.407	FD	1.167	0	Clean	ref	FDCARM	Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=S)N(C)C1=O	 
O=C1NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1	ZINC000001173211	22/99/61/518229961	KZWPBHNYUQQGIQ-UHFFFAOYSA-N	0	360.167	FD	1.989	1	Clean	mid	FDCAMN	O=C1NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1	 
O=C1NC(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1	ZINC000001173211	22/99/51/518229951	KZWPBHNYUQQGIQ-UHFFFAOYSA-N	-1	360.167	FD	1.989	0	Clean	ref	FDCARM	O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1	 
CN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(C)C1=O	ZINC000001185651	38/65/02/219386502	PKMHLZFDDAANHG-UHFFFAOYSA-N	1	352.394	FD	1.977	2	Clean	low	FDCALO	CN1C(=O)C(=Cc2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N(C)C1=O	 
CN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(C)C1=O	ZINC000001185651	38/64/98/219386498	PKMHLZFDDAANHG-UHFFFAOYSA-N	0	352.394	FD	1.977	0	Clean	ref	FDCARN	CN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(C)C1=O	 
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	ZINC000001185696	38/67/38/219386738	ZCVXSBBYFCETJK-IFRROFPPSA-N	-2	353.338	FD	1.964	0	Mild	ref	FDEARL	Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	 
COc1cc(OC)c(OC)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000001186261	86/55/93/206865593	FWRIZXAYQOCLAN-UHFFFAOYSA-N	0	350.396	FD	1.311	0	Clean	ref	FDCARN	COc1cc(OC)c(OC)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O	 
C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1O	ZINC000001201139	14/86/78/210148678	IPNRWLOWGXVMIO-UKTHLTGXSA-N	-1	358.419	FD	1.942	1	Mild	mid	FDEAMM	C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1O	 
C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1O	ZINC000001201139	14/86/71/210148671	IPNRWLOWGXVMIO-UKTHLTGXSA-N	-1	358.419	FD	1.942	0	Mild	ref	FDEARM	C=CCc1cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1O	 
COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1	ZINC000001203954	22/96/70/518229670	YTEFTAHWJNEOFP-UHFFFAOYSA-N	-1	356.359	FD	1.647	1	Clean	mid	FDCAMM	COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1	 
COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1	ZINC000001203954	22/96/56/518229656	YTEFTAHWJNEOFP-UHFFFAOYSA-N	0	356.359	FD	1.647	0	Clean	ref	FDCARN	COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1	 
COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(C)c1	ZINC000001411687	35/01/25/210350125	HYLMIHYJFIUJHB-UHFFFAOYSA-N	0	354.318	FD	1.791	1	Clean	mid	FDCAMN	COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(C)c1	 
COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(C)c1	ZINC000001411687	35/01/21/210350121	HYLMIHYJFIUJHB-UHFFFAOYSA-N	-1	354.318	FD	1.791	0	Clean	ref	FDCARM	COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c(C)c1	 
NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001880988	23/65/59/518236559	SQOPAIIHEQAZRE-FPLPWBNLSA-N	0	356.226	FD	1.846	0	Clean	ref	FDCARN	NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S	 
C#CCOc1cc(Br)c(/C=C2\NC(=O)NC2=O)cc1OC	ZINC000002099741	23/59/14/518235914	PEUYLGRJXTWJAF-YHYXMXQVSA-N	0	351.156	FD	1.65	1	Mild	mid	FDEAMN	C#CCOc1cc(Br)c(/C=C2\NC(=O)NC2=O)cc1OC	 
C#CCOc1cc(Br)c(/C=C2\NC(=O)NC2=O)cc1OC	ZINC000002099741	23/59/10/518235910	PEUYLGRJXTWJAF-YHYXMXQVSA-N	-1	351.156	FD	1.65	0	Mild	ref	FDEARM	C#CCOc1cc(Br)c(/C=C2\NC(=O)[N-]C2=O)cc1OC	 
O=C1NC(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)S1	ZINC000002355864	39/38/34/210393834	DFLUHUHYJXTGCY-OQLLNIDSSA-N	-1	371.418	FD	1.824	1	Anodyne	mid	FDAAMM	O=C1[N-]C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)S1	 
O=C1NC(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)S1	ZINC000002355864	39/38/29/210393829	DFLUHUHYJXTGCY-OQLLNIDSSA-N	0	371.418	FD	1.824	0	Anodyne	ref	FDAARN	O=C1NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)S1	 
COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc(OC)c1O	ZINC000002742635	24/69/54/518246954	JHMZBTSRVWCIIE-GIJQJNRQSA-N	-1	356.386	FD	1.994	3	Mild	high	FDEAHM	COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc(OC)c1[O-]	 
COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc(OC)c1O	ZINC000002742635	24/69/39/518246939	JHMZBTSRVWCIIE-GIJQJNRQSA-N	0	356.386	FD	1.994	0	Mild	ref	FDEARN	COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc(OC)c1O	 
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1OC	ZINC000002812540	25/17/88/518251788	FALXPIIQBTYPEW-ZROIWOOFSA-N	0	361.375	FD	1.916	0	Mild	ref	FDEARN	C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1OC	 
CCOc1ccc(Br)c(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000002874234	25/25/38/518252538	VVJPQSSUJLDUMQ-UHFFFAOYSA-N	-1	355.213	FD	1.762	1	Clean	mid	FDCAMM	CCOc1ccc(Br)c(C=C2C(=O)[N-]C(=S)NC2=O)c1	 
CCOc1ccc(Br)c(C=C2C(=O)NC(=S)NC2=O)c1	ZINC000002874234	25/25/31/518252531	VVJPQSSUJLDUMQ-UHFFFAOYSA-N	0	355.213	FD	1.762	0	Clean	ref	FDCARN	CCOc1ccc(Br)c(C=C2C(=O)NC(=S)NC2=O)c1	 
C=CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br	ZINC000002935628	25/46/13/518254613	PEAANORLNVYNPM-UHFFFAOYSA-N	-1	367.224	FD	1.928	1	Mild	mid	FDEAMM	C=CCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	 
C=CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br	ZINC000002935628	25/46/06/518254606	PEAANORLNVYNPM-UHFFFAOYSA-N	0	367.224	FD	1.928	0	Mild	ref	FDEARN	C=CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br	 
C=CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002935629	25/41/84/518254184	QIEOHBSOARCPIZ-UHFFFAOYSA-N	-1	351.156	FD	1.763	1	Mild	mid	FDEAMM	C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	 
C=CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002935629	25/41/79/518254179	QIEOHBSOARCPIZ-UHFFFAOYSA-N	-1	351.156	FD	1.763	1	Mild	mid	FDEAMM	C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	 
C=CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002935629	25/41/70/518254170	QIEOHBSOARCPIZ-UHFFFAOYSA-N	-1	351.156	FD	1.763	1	Mild	mid	FDEAMM	C=CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	 
C=CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002935629	25/41/58/518254158	QIEOHBSOARCPIZ-UHFFFAOYSA-N	-1	351.156	FD	1.763	0	Mild	ref	FDEARM	C=CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	 
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000002964808	25/59/66/518255966	ULYYVZYYVWOCEH-UHFFFAOYSA-N	-1	372.118	FD	1.049	1	Clean	mid	FDCAMM	COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1I	 
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000002964808	25/59/60/518255960	ULYYVZYYVWOCEH-UHFFFAOYSA-N	-1	372.118	FD	1.049	1	Clean	mid	FDCAMM	COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1I	 
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000002964808	25/59/54/518255954	ULYYVZYYVWOCEH-UHFFFAOYSA-N	0	372.118	FD	1.049	1	Clean	mid	FDCAMN	COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	 
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000002964808	25/59/45/518255945	ULYYVZYYVWOCEH-UHFFFAOYSA-N	-1	372.118	FD	1.049	0	Clean	ref	FDCARM	COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1I	 
CN1C(=O)C(=Cc2ccc(OCC(=O)O)c(Cl)c2)C(=O)N(C)C1=O	ZINC000002971505	25/63/12/518256312	GTECWSBFSYFJJM-UHFFFAOYSA-N	-1	352.73	FD	1.237	0	Clean	ref	FDCARM	CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)N(C)C1=O	 
Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)cc1	ZINC000002971981	47/93/89/219479389	GXXXXQOYNQEMNT-UHFFFAOYSA-N	-1	353.334	FD	1.542	1	Clean	mid	FDCAMM	Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	 
Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)cc1	ZINC000002971981	47/93/88/219479388	GXXXXQOYNQEMNT-UHFFFAOYSA-N	-2	353.334	FD	1.542	0	Clean	ref	FDCARL	Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S	ZINC000002988831	25/58/05/518255805	HVBGZJIQUKXTPI-YWEFTTLKSA-N	-2	360.391	FD	1.351	1	Mild	mid	FDEAML	C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S	ZINC000002988831	25/57/95/518255795	HVBGZJIQUKXTPI-YWEFTTLKSA-N	-1	360.391	FD	1.351	0	Mild	ref	FDEARM	C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)NC1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S	ZINC000002988833	25/56/29/518255629	HVBGZJIQUKXTPI-QQMDNXKGSA-N	-2	360.391	FD	1.351	1	Mild	mid	FDEAML	C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S	ZINC000002988833	25/56/18/518255618	HVBGZJIQUKXTPI-QQMDNXKGSA-N	-1	360.391	FD	1.351	0	Mild	ref	FDEARM	C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)NC1=S	 
COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC(=O)O	ZINC000002991824	25/63/47/518256347	MGEVVMKKIZTPCO-BAQGIRSFSA-N	-1	371.143	FD	1.101	1	Anodyne	mid	FDAAMM	COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC(=O)[O-]	 
COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC(=O)O	ZINC000002991824	25/63/40/518256340	MGEVVMKKIZTPCO-BAQGIRSFSA-N	-2	371.143	FD	1.101	0	Anodyne	ref	FDAARL	COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCC(=O)[O-]	 
C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1OCC	ZINC000002994418	25/54/95/518255495	SENKVDMQNUDTAC-SDNWHVSQSA-N	-1	370.43	FD	1.91	1	Mild	mid	FDEAMM	C#CCOc1ccc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC	 
C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1OCC	ZINC000002994418	25/54/85/518255485	SENKVDMQNUDTAC-SDNWHVSQSA-N	0	370.43	FD	1.91	0	Mild	ref	FDEARN	C#CCOc1ccc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc1OCC	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)NC1=S	ZINC000002995258	25/64/43/518256443	ZWTJLTIZMUODNV-GXDHUFHOSA-N	-1	374.418	FD	1.441	1	Mild	mid	FDEAMM	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)NC1=S	ZINC000002995258	25/64/31/518256431	ZWTJLTIZMUODNV-GXDHUFHOSA-N	0	374.418	FD	1.441	0	Mild	ref	FDEARN	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)cc2)C(=O)NC1=S	 
Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2OCC(=O)O)n1	ZINC000004302871	13/13/56/204131356	ALXDRZFFEQCSHP-GIJQJNRQSA-N	-1	354.37	FD	1.735	0	Mild	ref	FDEARM	Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2OCC(=O)[O-])n1	 
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O	ZINC000004472404	57/60/13/219576013	YFXABIHPOLZFPR-LZAIMSLLSA-N	0	366.395	FD	1.714	0	Anodyne	ref	FDAARN	COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O	 
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O	ZINC000004472405	02/12/05/207021205	YFXABIHPOLZFPR-QSARLWQPSA-N	0	366.395	FD	1.714	0	Anodyne	ref	FDAARN	COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O	 
O=C(O)Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000004486173	14/09/30/204140930	SVQPJZYNVFEDCM-ZROIWOOFSA-N	-1	369.333	FD	1.481	1	Clean	mid	FDCAMM	O=C([O-])Cc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	 
O=C(O)Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000004486173	14/09/26/204140926	SVQPJZYNVFEDCM-ZROIWOOFSA-N	-2	369.333	FD	1.481	0	Clean	ref	FDCARL	O=C([O-])Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Cl)cc(OC)c1OC	ZINC000004502628	53/42/60/210534260	NVNSCVKAZPPXLS-LBPRGKRZSA-N	0	365.777	FD	1.806	0	Anodyne	ref	FDAARN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(Cl)cc(OC)c1OC