C/C=C(/C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	ZINC000000689861	31/40/69/219314069	NXGYZDFEJQLMRA-CFZMTHNTSA-N	0	366.329	FF	2.838	0	Bother	ref	FFBARN	C/C=C(/C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	 
O=C(O)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1	ZINC000000689902	22/88/37/506228837	JYMBLVQYYLEMDD-UHFFFAOYSA-N	0	354.414	FF	2.514	2	Anodyne	low	FFAALN	O=C([O-])c1cccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1	 
O=C(O)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1	ZINC000000689902	22/88/31/506228831	JYMBLVQYYLEMDD-UHFFFAOYSA-N	-1	354.414	FF	2.514	0	Anodyne	ref	FFAARM	O=C([O-])c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1	 
O=C(O)c1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1	ZINC000000689905	26/28/79/210262879	SOQONSYEZMRCAS-UHFFFAOYSA-N	0	354.414	FF	2.514	2	Anodyne	low	FFAALN	O=C([O-])c1ccccc1Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1	 
O=C(O)c1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1	ZINC000000689905	26/28/75/210262875	SOQONSYEZMRCAS-UHFFFAOYSA-N	-1	354.414	FF	2.514	0	Anodyne	ref	FFAARM	O=C([O-])c1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1	 
COc1cccc(-c2nc3c(c4cc(OC)c(OC)cc24)C(=O)NC3=O)c1	ZINC000000689997	22/84/90/506228490	ICBSEDPNQJJQAJ-UHFFFAOYSA-N	0	364.357	FF	2.811	1	Anodyne	mid	FFAAMN	COc1cccc(-c2nc3c(c4cc(OC)c(OC)cc24)C(=O)NC3=O)c1	 
COc1cccc(-c2nc3c(c4cc(OC)c(OC)cc24)C(=O)NC3=O)c1	ZINC000000689997	22/84/78/506228478	ICBSEDPNQJJQAJ-UHFFFAOYSA-N	-1	364.357	FF	2.811	0	Anodyne	ref	FFAARM	COc1cccc(-c2nc3c(c4cc(OC)c(OC)cc24)C(=O)[N-]C3=O)c1	 
Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)cc2)c[n+]1[O-]	ZINC000000690079	82/56/00/206825600	AWURWRWPPTXSLT-UHFFFAOYSA-N	0	355.781	FF	2.975	0	Anodyne	ref	FFAARN	Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)cc2)c[n+]1[O-]	 
CC(=O)Oc1c(Br)cc(S(C)(=O)=O)cc1Br	ZINC000000690413	31/46/13/219314613	RMOMNRHEAAOHRN-UHFFFAOYSA-N	0	372.034	FF	2.54	0	Anodyne	ref	FFAARN	CC(=O)Oc1c(Br)cc(S(C)(=O)=O)cc1Br	 
CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000000966729	34/76/24/219347624	MGQXIIBLTNLNMI-BNDQCTAISA-N	-1	365.432	FF	2.87	0	Clean	ref	FFCARM	CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	 
CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000000966731	34/76/83/219347683	MGQXIIBLTNLNMI-QVASGMJFSA-N	-1	365.432	FF	2.87	0	Clean	ref	FFCARM	CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	 
O=[N+]([O-])C1(Br)CC2CC(C1)CC(Br)([N+](=O)[O-])C2	ZINC000002028673	42/40/99/219424099	QTCHKPTZWKEOEH-UHFFFAOYSA-N	0	372.013	FF	2.932	0	Bother	ref	FFBARN	O=[N+]([O-])C1(Br)CC2CC(C1)CC(Br)([N+](=O)[O-])C2	 
Nc1nc(NC(=O)c2ccccc2)c(N=O)c(NC(=O)c2ccccc2)n1	ZINC000004085868	12/03/61/204120361	BKDSPRLCFFDAFK-UHFFFAOYSA-N	0	362.349	FF	2.961	0	Anodyne	ref	FFAARN	Nc1nc(NC(=O)c2ccccc2)c(N=O)c(NC(=O)c2ccccc2)n1	 
CCOc1c(I)cncc1I	ZINC000004085911	00/00/24/207000024	UKCSOMWTJGGDDK-UHFFFAOYSA-N	0	374.947	FF	2.69	0	Anodyne	ref	FFAARN	CCOc1c(I)cncc1I	 
O=C(Nc1ccc([N+](=O)[O-])cc1I)C(F)(F)F	ZINC000004099315	12/10/63/204121063	FKYQJXBMNHFFFV-UHFFFAOYSA-N	0	360.029	FF	2.7	0	Bother	ref	FFBARN	O=C(Nc1ccc([N+](=O)[O-])cc1I)C(F)(F)F	 
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC	ZINC000014436790	99/01/79/506990179	YSXLGTWJLNLXKQ-UHFFFAOYSA-N	-2	374.345	FF	2.906	3	Anodyne	high	FFAAHL	COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC)cc(OC)c1OC	 
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC	ZINC000014436790	99/01/69/506990169	YSXLGTWJLNLXKQ-UHFFFAOYSA-N	0	374.345	FF	2.906	2	Anodyne	low	FFAALN	COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC	 
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC	ZINC000014436790	99/01/56/506990156	YSXLGTWJLNLXKQ-UHFFFAOYSA-N	-1	374.345	FF	2.906	0	Anodyne	ref	FFAARM	COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc(OC)c1OC	 
COC(=O)c1cc(I)c(NC(C)=O)cc1Cl	ZINC000017111362	11/63/51/507116351	CIGRRTUPLGBKEU-UHFFFAOYSA-N	0	353.543	FF	2.69	0	Anodyne	ref	FFAARN	COC(=O)c1cc(I)c(NC(C)=O)cc1Cl	 
COc1ccc(C(=O)NCCCn2ccnc2)nc1-c1ccc(F)cc1	ZINC000019872961	69/35/45/523693545	KBLNLHPNKOCTKR-UHFFFAOYSA-N	1	354.385	FF	2.913	2	Anodyne	low	FFAALO	COc1ccc(C(=O)NCCCn2cc[nH+]c2)nc1-c1ccc(F)cc1	 
COc1ccc(C(=O)NCCCn2ccnc2)nc1-c1ccc(F)cc1	ZINC000019872961	69/35/31/523693531	KBLNLHPNKOCTKR-UHFFFAOYSA-N	0	354.385	FF	2.913	0	Anodyne	ref	FFAARN	COc1ccc(C(=O)NCCCn2ccnc2)nc1-c1ccc(F)cc1