CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1	ZINC000000032667	86/86/50/375868650	HWMATKYIEQVLMP-UHFFFAOYSA-N	-1	348.402	EB	-0.349	0	Anodyne	ref	EBAARM	CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	 
COC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	ZINC000000113899	86/82/07/375868207	MYFDMLPTNKPBJG-UHFFFAOYSA-N	0	331.126	EB	-0.631	0	Anodyne	ref	EBAARN	COC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	 
CCOC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	ZINC000000158208	86/81/92/375868192	KOUDKMQKKXZWLY-UHFFFAOYSA-N	0	345.153	EB	-0.241	0	Anodyne	ref	EBAARN	CCOC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	 
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000000519405	64/34/63/209643463	YUDPTGPSBJVHCN-SLZITWOASA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBAARN	Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)cc1	ZINC000001995765	77/91/30/381779130	KFNRNFXZFIRNEO-NSHDSACASA-N	0	328.394	EB	-0.01	0	Anodyne	ref	EBAARN	Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])cc1	 
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000002047175	04/41/74/377044174	YUDPTGPSBJVHCN-HVQZGBDUSA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBAARN	Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000002133555	76/26/92/379762692	YUDPTGPSBJVHCN-AMMHQNNLSA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBABRN	Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
COC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C	ZINC000002380207	53/06/40/201530640	YBYHUEQPUZSGDD-UHFFFAOYSA-N	0	337.325	EB	-0.56	0	Anodyne	ref	EBAARN	COC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C	 
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])n(CC(C)=O)n1	ZINC000002545753	56/07/07/379560707	ZHSFTMAABDJPJC-UHFFFAOYSA-N	0	338.24	EB	-0.469	0	Bother	ref	EBBARN	CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])n(CC(C)=O)n1	 
CCN1CCN(C(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)C(=O)C1=O	ZINC000002569283	29/48/97/285294897	IPARGUVYMOMVNU-LLVKDONJSA-N	-1	335.316	EB	-0.082	0	Anodyne	ref	EBAARM	CCN1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C(=O)C1=O	 
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000002596997	37/43/42/206374342	YUDPTGPSBJVHCN-BPKBQXTESA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBABRN	Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12	ZINC000004556852	22/09/47/210220947	YUDPTGPSBJVHCN-LNNMMNKASA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBABRN	Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12	in-vitro biogenic
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12	ZINC000004556853	22/02/14/210220214	YUDPTGPSBJVHCN-CWCFIDOXSA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBABRN	Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12	in-vitro biogenic
O=S1(=O)CC[C@@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)C1	ZINC000004813525	28/54/38/210285438	DBENEADLWSFRQB-PRJMDXOYSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)CC[C@@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)C1	 
O=S1(=O)CC[C@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)C1	ZINC000004813526	28/50/04/210285004	DBENEADLWSFRQB-RNJXMRFFSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)CC[C@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)C1	 
O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2[C@@H]1CCS(=O)(=O)C1	ZINC000004813528	89/90/83/375899083	DBENEADLWSFRQB-CSMHCCOUSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2[C@@H]1CCS(=O)(=O)C1	 
O=S1(=O)CC[C@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@@H]32)C1	ZINC000004813529	49/15/16/296491516	DBENEADLWSFRQB-FXQIFTODSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)CC[C@H](N2C(=S)S[C@H]3CS(=O)(=O)C[C@@H]32)C1	 
OCCOCCOCCOCCOCCOCCOCCO	ZINC000005178829	40/72/05/210407205	XPJRQAIZZQMSCM-UHFFFAOYSA-N	0	326.386	EB	-0.929	0	Anodyne	ref	EBAARN	OCCOCCOCCOCCOCCOCCOCCO	in-vitro
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1	ZINC000006569119	91/13/51/375911351	BNXBRFDWSPXODM-BPGGGUHBSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1	 
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	ZINC000012958889	49/31/82/211493182	BNXBRFDWSPXODM-IKVITTDRSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	 
O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O	ZINC000019202633	00/17/20/376001720	FCKYPQBAHLOOJQ-NXEZZACHSA-N	-4	346.336	EB	-0.76	3	Anodyne	high	EBAAHL	O=C([O-])CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-]	 
O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O	ZINC000019202633	00/16/99/376001699	FCKYPQBAHLOOJQ-NXEZZACHSA-N	-3	346.336	EB	-0.76	0	Anodyne	ref	EBAARL	O=C([O-])CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	 
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O	ZINC000019202636	06/60/80/304066080	FCKYPQBAHLOOJQ-AOOOYVTPSA-N	-4	346.336	EB	-0.76	3	Anodyne	high	EBAAHL	O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-]	 
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O	ZINC000019202636	06/60/79/304066079	FCKYPQBAHLOOJQ-AOOOYVTPSA-N	-3	346.336	EB	-0.76	1	Anodyne	mid	EBAAML	O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	 
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O	ZINC000019202636	06/60/78/304066078	FCKYPQBAHLOOJQ-AOOOYVTPSA-N	-3	346.336	EB	-0.76	0	Anodyne	ref	EBAARL	O=C([O-])CN(CC(=O)[O-])[C@@H]1CCCC[C@@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(C)CC1	ZINC000019359775	00/55/61/202005561	ZHJGIGXKXTUMJK-UHFFFAOYSA-N	1	336.356	EB	-0.843	1	Anodyne	mid	EBAAMO	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CC[NH+](C)CC1	 
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(C)CC1	ZINC000019359775	00/55/58/202005558	ZHJGIGXKXTUMJK-UHFFFAOYSA-N	0	336.356	EB	-0.843	0	Anodyne	ref	EBAARN	CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCN(C)CC1	 
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O	ZINC000019798475	07/00/01/212070001	FCKYPQBAHLOOJQ-UWVGGRQHSA-N	-4	346.336	EB	-0.76	3	Anodyne	high	EBAAHL	O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-]	 
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O	ZINC000019798475	06/99/98/212069998	FCKYPQBAHLOOJQ-UWVGGRQHSA-N	-3	346.336	EB	-0.76	0	Anodyne	ref	EBAARL	O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1[NH+](CC(=O)[O-])CC(=O)[O-]	 
CCS(=O)(=O)N1CCN(C(=O)c2c(C(=O)O)cnn2C)CC1	ZINC000020318505	03/78/37/202037837	KXOSSFIJCDQRKK-UHFFFAOYSA-N	-1	330.366	EB	-0.774	0	Anodyne	ref	EBAARM	CCS(=O)(=O)N1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1	 
CCS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2C(=O)O)CC1	ZINC000020319297	03/83/36/202038336	OTTKGXKQUYIAKU-UHFFFAOYSA-N	-1	330.366	EB	-0.774	0	Anodyne	ref	EBAARM	CCS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1	 
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	ZINC000022049845	07/75/80/202077580	BNXBRFDWSPXODM-GVUJHPQVSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	in-vitro
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1	ZINC000022049850	27/33/74/212273374	BNXBRFDWSPXODM-CQROYNQRSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1	in-vitro
O=C(O)CN(CC(=O)O)c1ccc(N(CC(=O)O)CC(=O)O)cc1	ZINC000054960067	26/08/85/214260885	IDQJPXPEIIEMQI-UHFFFAOYSA-N	-4	340.288	EB	-0.362	0	Anodyne	ref	EBABRL	O=C([O-])CN(CC(=O)[O-])c1ccc(N(CC(=O)[O-])CC(=O)[O-])cc1	 
O=C(NCCNCCO)c1c(O)c2cccc3c2n(c1=O)CCC3	ZINC000100001729	98/65/96/203986596	ALCCOAQLOCWUPS-UHFFFAOYSA-N	0	331.372	EB	-0.035	0	Anodyne	ref	EBAARN	O=C(NCC[NH2+]CCO)c1c([O-])c2cccc3c2n(c1=O)CCC3	 
O=S1(=O)CC[C@H](N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@H]32)C1	ZINC000169616704	76/36/61/419763661	DBENEADLWSFRQB-BIIVOSGPSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)CC[C@H](N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@H]32)C1	 
O=S1(=O)CC[C@H](N2C(=S)S[C@@H]3CS(=O)(=O)C[C@H]32)C1	ZINC000242463436	79/53/75/304795375	DBENEADLWSFRQB-XLPZGREQSA-N	0	327.474	EB	-0.327	0	Anodyne	ref	EBAARN	O=S1(=O)CC[C@H](N2C(=S)S[C@@H]3CS(=O)(=O)C[C@H]32)C1