COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	ZINC000000002097	93/63/72/347936372	KXRZBTAEDBELFD-UHFFFAOYSA-N	0	280.309	CC	0.868	2	Anodyne	low	CCAALN	COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	world
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1	ZINC000000002097	93/63/67/347936367	KXRZBTAEDBELFD-UHFFFAOYSA-N	-1	280.309	CC	0.868	0	Anodyne	ref	CCAARM	COc1nccnc1[N-]S(=O)(=O)c1ccc(N)cc1	world
CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1	ZINC000000014007	93/65/68/347936568	METKIMKYRPQLGS-GFCCVEGCSA-N	1	266.341	CC	0.452	0	Anodyne	ref	CCAARO	CC(C)[NH2+]C[C@@H](O)COc1ccc(CC(N)=O)cc1	fda
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	ZINC000000049137	93/74/24/347937424	WMPXPUYPYQKQCX-UHFFFAOYSA-N	0	280.309	CC	0.868	1	Anodyne	mid	CCAAMN	COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	in-man
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1	ZINC000000049137	93/74/19/347937419	WMPXPUYPYQKQCX-UHFFFAOYSA-N	-1	280.309	CC	0.868	0	Anodyne	ref	CCAARM	COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)ncn1	in-man
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	ZINC000000049141	93/72/01/347937201	VLYWMPOKSSWJAL-UHFFFAOYSA-N	0	280.309	CC	0.868	1	Anodyne	mid	CCAAMN	COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	in-man
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	ZINC000000049141	93/72/00/347937200	VLYWMPOKSSWJAL-UHFFFAOYSA-N	-1	280.309	CC	0.868	0	Anodyne	ref	CCAARM	COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nn1	in-man
CNC(=O)OCc1cccc(COC(=O)NC)n1	ZINC000000057462	93/72/65/347937265	YEKQSSHBERGOJK-UHFFFAOYSA-N	0	253.258	CC	0.794	0	Anodyne	ref	CCAARN	CNC(=O)OCc1cccc(COC(=O)NC)n1	in-man
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/42/347938342	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/40/347938340	DUANFASSZWBAOS-CYBMUJFWSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082267	93/83/37/347938337	DUANFASSZWBAOS-CYBMUJFWSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@@H]1C(=O)NCCN1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/71/347938371	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/69/347938369	DUANFASSZWBAOS-ZDUSSCGKSA-N	0	276.336	CC	0.894	1	Anodyne	mid	CCAAMN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1	 
O=C(O)C[C@H]1C(=O)NCCN1CCCc1ccccc1	ZINC000000082278	93/83/65/347938365	DUANFASSZWBAOS-ZDUSSCGKSA-N	-1	276.336	CC	0.894	0	Anodyne	ref	CCAARM	O=C([O-])C[C@H]1C(=O)NCCN1CCCc1ccccc1	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/86/347938086	XACYTACCRYOQML-LLVKDONJSA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/84/347938084	XACYTACCRYOQML-LLVKDONJSA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000082331	93/80/80/347938080	XACYTACCRYOQML-LLVKDONJSA-N	-1	278.308	CC	0.47	0	Anodyne	ref	CCAARM	COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/81/02/347938102	XACYTACCRYOQML-NSHDSACASA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/80/99/347938099	XACYTACCRYOQML-NSHDSACASA-N	0	278.308	CC	0.47	2	Anodyne	low	CCAALN	COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000082338	93/80/97/347938097	XACYTACCRYOQML-NSHDSACASA-N	-1	278.308	CC	0.47	0	Anodyne	ref	CCAARM	COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/63/347937863	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/61/347937861	JFUFURNMLIXMKG-GFCCVEGCSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000082349	93/78/52/347937852	JFUFURNMLIXMKG-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/06/347938206	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/05/347938205	JFUFURNMLIXMKG-LBPRGKRZSA-N	0	262.309	CC	0.77	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000082355	93/82/02/347938202	JFUFURNMLIXMKG-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1	ZINC000000113415	93/89/35/347938935	METKIMKYRPQLGS-LBPRGKRZSA-N	1	266.341	CC	0.452	0	Anodyne	ref	CCAARO	CC(C)[NH2+]C[C@H](O)COc1ccc(CC(N)=O)cc1	fda biogenic
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1	ZINC000000120286	93/99/52/347939952	FNYLWPVRPXGIIP-UHFFFAOYSA-N	0	253.269	CC	0.833	0	Anodyne	ref	CCAARN	Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1	fda aggregator biogenic
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000120319	35/53/34/295355334	SEEPANYCNGTZFQ-UHFFFAOYSA-N	0	250.283	CC	0.86	1	Anodyne	mid	CCAAMN	Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	fda
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000120319	35/53/30/295355330	SEEPANYCNGTZFQ-UHFFFAOYSA-N	-1	250.283	CC	0.86	0	Anodyne	ref	CCAARM	Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	fda
CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201631	02/55/06/290025506	XKZDSAVFHPKHNV-WDEREUQCSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201631	02/55/05/290025505	XKZDSAVFHPKHNV-WDEREUQCSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201637	01/97/81/290019781	XKZDSAVFHPKHNV-GHMZBOCLSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000201637	01/97/77/290019777	XKZDSAVFHPKHNV-GHMZBOCLSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201643	02/53/05/290025305	XKZDSAVFHPKHNV-QWRGUYRKSA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201643	02/53/04/290025304	XKZDSAVFHPKHNV-QWRGUYRKSA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201649	02/00/59/290020059	XKZDSAVFHPKHNV-MNOVXSKESA-N	0	254.33	CC	0.651	1	Anodyne	mid	CCAAMN	C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000201649	02/00/54/290020054	XKZDSAVFHPKHNV-MNOVXSKESA-N	-1	254.33	CC	0.651	0	Anodyne	ref	CCAARM	CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/55/347950755	DOQDFWIQOVQQIL-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/53/347950753	DOQDFWIQOVQQIL-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)O	ZINC000000556125	95/07/51/347950751	DOQDFWIQOVQQIL-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/32/347950732	DOQDFWIQOVQQIL-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/31/347950731	DOQDFWIQOVQQIL-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)O	ZINC000000556127	95/07/29/347950729	DOQDFWIQOVQQIL-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/81/347950681	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/80/347950680	UFAPTAYBYWFFKM-CYBMUJFWSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1	ZINC000000556193	95/06/78/347950678	UFAPTAYBYWFFKM-CYBMUJFWSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/58/347950358	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/55/347950355	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	0	292.335	CC	0.86	2	Anodyne	low	CCAALN	CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1	ZINC000000556195	95/03/48/347950348	UFAPTAYBYWFFKM-ZDUSSCGKSA-N	-1	292.335	CC	0.86	0	Anodyne	ref	CCAARM	CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	 
Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000874830	95/26/85/347952685	OJMPLCRVIRCWAV-SNVBAGLBSA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	 
Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000874832	95/20/90/347952090	OJMPLCRVIRCWAV-JTQLQIEISA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/97/347953197	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/95/347953195	WZNUTYXPWKUFMM-SNVBAGLBSA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)o1	ZINC000001236656	95/31/92/347953192	WZNUTYXPWKUFMM-SNVBAGLBSA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/81/347953281	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/80/347953280	WZNUTYXPWKUFMM-JTQLQIEISA-N	0	252.27	CC	0.363	2	Anodyne	low	CCAALN	Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)o1	ZINC000001236658	95/32/77/347953277	WZNUTYXPWKUFMM-JTQLQIEISA-N	-1	252.27	CC	0.363	0	Anodyne	ref	CCAARM	Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])o1	 
O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	ZINC000001530947	72/17/15/304721715	UEJJHQNACJXSKW-VIFPVBQESA-N	0	258.233	CC	0.088	0	Anodyne	ref	CCAARN	O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	fda
O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	ZINC000001530948	75/44/49/388754449	UEJJHQNACJXSKW-SECBINFHSA-N	0	258.233	CC	0.088	0	Anodyne	ref	CCAARN	O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1	fda
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/98/347963898	SNRZZMQDPXZXDN-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/95/347963895	SNRZZMQDPXZXDN-GFCCVEGCSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1	ZINC000001926656	96/38/90/347963890	SNRZZMQDPXZXDN-GFCCVEGCSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/79/347964079	SNRZZMQDPXZXDN-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/76/347964076	SNRZZMQDPXZXDN-LBPRGKRZSA-N	0	262.309	CC	0.77	1	Anodyne	mid	CCAAMN	Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1	ZINC000001926658	96/40/71/347964071	SNRZZMQDPXZXDN-LBPRGKRZSA-N	-1	262.309	CC	0.77	0	Anodyne	ref	CCAARM	Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	 
NC(=S)N/N=C/c1ccc(NCS(=O)(=O)O)cc1	ZINC000002075048	96/45/59/347964559	AWOXGYYSZKLPKY-LFYBBSHMSA-N	0	288.354	CC	0.111	2	Mild	low	CCEALN	NC(=S)N/[NH+]=C/c1ccc(NCS(=O)(=O)[O-])cc1	 
NC(=S)N/N=C/c1ccc(NCS(=O)(=O)O)cc1	ZINC000002075048	96/45/53/347964553	AWOXGYYSZKLPKY-LFYBBSHMSA-N	-1	288.354	CC	0.111	0	Mild	ref	CCEARM	NC(=S)N/N=C/c1ccc(NCS(=O)(=O)[O-])cc1	 
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)O	ZINC000003156391	86/14/49/169861449	APPATXNXXOVPAY-UHFFFAOYSA-N	-1	271.229	CC	0.508	0	Bother	ref	CCBARM	Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)[O-]	 
O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	ZINC000006093527	17/56/95/170175695	DECBQELQORZLLP-UAIOPKHMSA-N	-1	264.197	CC	0.739	3	Mild	high	CCEAHM	O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1	in-man
O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	ZINC000006093527	17/56/93/170175693	DECBQELQORZLLP-UAIOPKHMSA-N	0	264.197	CC	0.739	0	Mild	ref	CCEARN	O=C1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	in-man
COCCNC(=O)c1cccc(NC(=O)CCC(=O)O)c1	ZINC000012138836	47/06/24/170470624	CEQWNZITQHQYPJ-UHFFFAOYSA-N	-1	294.307	CC	0.866	0	Anodyne	ref	CCAARM	COCCNC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	 
COCCNC(=O)c1ccc(NC(=O)CCC(=O)O)cc1	ZINC000012138867	77/90/25/388779025	NQIIUUJHUFISOL-UHFFFAOYSA-N	-1	294.307	CC	0.866	0	Anodyne	ref	CCAARM	COCCNC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	 
O=C(O)c1cccc(OCC(=O)N2CCOCC2)c1	ZINC000019816914	07/09/13/348070913	SAVRUTOJWVMEEQ-UHFFFAOYSA-N	-1	265.265	CC	0.622	0	Anodyne	ref	CCAARM	O=C([O-])c1cccc(OCC(=O)N2CCOCC2)c1	 
COc1cc(CN2CCNC[C@@H]2CCO)cc(OC)c1	ZINC000019860702	89/89/03/170898903	ZLLRZWIJPOZXHJ-ZDUSSCGKSA-N	1	280.368	CC	0.86	0	Anodyne	ref	CCAARO	COc1cc(CN2CC[NH2+]C[C@@H]2CCO)cc(OC)c1	 
COc1cc(CN2CCNC[C@H]2CCO)cc(OC)c1	ZINC000019860704	07/31/80/348073180	ZLLRZWIJPOZXHJ-CYBMUJFWSA-N	1	280.368	CC	0.86	0	Anodyne	ref	CCAARO	COc1cc(CN2CC[NH2+]C[C@H]2CCO)cc(OC)c1	 
CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	ZINC000034867475	15/21/77/348152177	YEKKOBZSGMPECJ-UHFFFAOYSA-N	1	255.343	CC	0.205	2	Anodyne	low	CCAALO	C[NH+]1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	 
CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	ZINC000034867475	15/21/74/348152174	YEKKOBZSGMPECJ-UHFFFAOYSA-N	0	255.343	CC	0.205	0	Anodyne	ref	CCAARN	CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1	 
O=C(C[C@H]1NCCNC1=O)OCCOc1ccccc1	ZINC000035679627	35/06/66/172350666	UPCDESJZONPELN-GFCCVEGCSA-N	1	278.308	CC	0.087	2	Anodyne	low	CCAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OCCOc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCCOc1ccccc1	ZINC000035679627	35/06/64/172350664	UPCDESJZONPELN-GFCCVEGCSA-N	0	278.308	CC	0.087	0	Anodyne	ref	CCAARN	O=C(C[C@H]1NCCNC1=O)OCCOc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCOc1ccccc1	ZINC000035679629	35/08/11/172350811	UPCDESJZONPELN-LBPRGKRZSA-N	1	278.308	CC	0.087	2	Anodyne	low	CCAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OCCOc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCOc1ccccc1	ZINC000035679629	35/08/08/172350808	UPCDESJZONPELN-LBPRGKRZSA-N	0	278.308	CC	0.087	0	Anodyne	ref	CCAARN	O=C(C[C@@H]1NCCNC1=O)OCCOc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCCc1ccccc1	ZINC000035910707	42/47/18/172424718	NLBYZPUORCPDFM-GFCCVEGCSA-N	1	262.309	CC	0.25	2	Anodyne	low	CCAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OCCc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCCc1ccccc1	ZINC000035910707	42/47/15/172424715	NLBYZPUORCPDFM-GFCCVEGCSA-N	0	262.309	CC	0.25	0	Anodyne	ref	CCAARN	O=C(C[C@H]1NCCNC1=O)OCCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCc1ccccc1	ZINC000035910709	83/73/16/388837316	NLBYZPUORCPDFM-LBPRGKRZSA-N	1	262.309	CC	0.25	2	Anodyne	low	CCAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OCCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCc1ccccc1	ZINC000035910709	83/73/05/388837305	NLBYZPUORCPDFM-LBPRGKRZSA-N	0	262.309	CC	0.25	0	Anodyne	ref	CCAARN	O=C(C[C@@H]1NCCNC1=O)OCCc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCCCc1ccccc1	ZINC000036091332	83/88/14/388838814	MDPUDXLQJMWVOF-CYBMUJFWSA-N	1	276.336	CC	0.641	2	Anodyne	low	CCAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OCCCc1ccccc1	 
O=C(C[C@H]1NCCNC1=O)OCCCc1ccccc1	ZINC000036091332	83/88/08/388838808	MDPUDXLQJMWVOF-CYBMUJFWSA-N	0	276.336	CC	0.641	0	Anodyne	ref	CCAARN	O=C(C[C@H]1NCCNC1=O)OCCCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCCc1ccccc1	ZINC000036091334	83/87/48/388838748	MDPUDXLQJMWVOF-ZDUSSCGKSA-N	1	276.336	CC	0.641	2	Anodyne	low	CCAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OCCCc1ccccc1	 
O=C(C[C@@H]1NCCNC1=O)OCCCc1ccccc1	ZINC000036091334	83/87/45/388838745	MDPUDXLQJMWVOF-ZDUSSCGKSA-N	0	276.336	CC	0.641	0	Anodyne	ref	CCAARN	O=C(C[C@@H]1NCCNC1=O)OCCCc1ccccc1	 
COc1ccccc1CN1CCNC[C@@H]1CCO	ZINC000066323398	73/97/08/348739708	BRRNQLVPFAHEDW-ZDUSSCGKSA-N	1	250.342	CC	0.851	0	Anodyne	ref	CCAARO	COc1ccccc1CN1CC[NH2+]C[C@@H]1CCO	 
COc1ccccc1CN1CCNC[C@H]1CCO	ZINC000066323399	74/01/24/348740124	BRRNQLVPFAHEDW-CYBMUJFWSA-N	1	250.342	CC	0.851	0	Anodyne	ref	CCAARO	COc1ccccc1CN1CC[NH2+]C[C@H]1CCO	 
Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOCC1	ZINC000078502806	34/77/26/177347726	BNSDHNCTBBINMI-UHFFFAOYSA-N	0	251.242	CC	0.649	0	Bother	ref	CCBARN	Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOCC1	 
CC1(C)OC(=O)C(=CNCCCC(=O)O)C(=O)O1	ZINC000100011756	65/45/87/349654587	IHFZSOAVVJXBFZ-UHFFFAOYSA-N	-1	257.242	CC	0.161	0	Clean	ref	CCCARM	CC1(C)OC(=O)C(=CNCCCC(=O)[O-])C(=O)O1