C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000000000688	11/14/42/431111442	LOUPRKONTZGTKE-NIHZBZNOSA-N	1	324.424	DG	3.173	1	Mild	mid	DGEAMO	C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	world
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000000000688	11/14/28/431111428	LOUPRKONTZGTKE-NIHZBZNOSA-N	1	324.424	DG	3.173	0	Mild	ref	DGEARO	C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	world
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000000000751	11/21/33/431112133	MKJIEFSOBYUXJB-GDBMZVCRSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2	fda
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000000000751	11/21/28/431112128	MKJIEFSOBYUXJB-GDBMZVCRSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@@H+]1CC2	fda
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000000000751	11/21/24/431112124	MKJIEFSOBYUXJB-GDBMZVCRSA-N	1	317.429	DG	3.238	0	Anodyne	ref	DGAARO	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2	fda
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2	ZINC000000000931	11/13/44/431111344	QWGDMFLQWFTERH-UHFFFAOYSA-N	0	313.788	DG	3.429	3	Anodyne	high	DGAAHN	Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2	fda
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2	ZINC000000000931	11/13/30/431111330	QWGDMFLQWFTERH-UHFFFAOYSA-N	0	313.788	DG	3.429	0	Anodyne	ref	DGAARN	Clc1ccc2c(c1)C(N1CC[NH2+]CC1)=Nc1ccccc1O2	fda
Oc1c(Br)cc(Br)c2cccnc12	ZINC000000001064	45/04/72/280450472	ZDASUJMDVPTNTF-UHFFFAOYSA-N	0	302.953	DG	3.465	1	Anodyne	mid	DGAAMN	Oc1c(Br)cc(Br)c2cccnc12	world
Oc1c(Br)cc(Br)c2cccnc12	ZINC000000001064	45/04/70/280450470	ZDASUJMDVPTNTF-UHFFFAOYSA-N	-1	302.953	DG	3.465	0	Anodyne	ref	DGAARM	[O-]c1c(Br)cc(Br)c2cccnc12	world
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	ZINC000000001342	11/19/40/431111940	ZVXBAHLOGZCFTP-UHFFFAOYSA-N	0	324.332	DG	3.402	0	Anodyne	ref	DGAARN	CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	world
CCOc1ccccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1	ZINC000000002275	11/19/11/431111911	CBQGYUDMJHNJBX-RBUKOAKNSA-N	0	313.397	DG	3.194	1	Anodyne	mid	DGAAMN	CCOc1ccccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1	investigational
CCOc1ccccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1	ZINC000000002275	11/19/07/431111907	CBQGYUDMJHNJBX-RBUKOAKNSA-N	0	313.397	DG	3.194	0	Anodyne	ref	DGAARN	CCOc1ccccc1O[C@H](c1ccccc1)[C@@H]1C[NH2+]CCO1	investigational
CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1	ZINC000000002284	11/17/07/431111707	CBQGYUDMJHNJBX-MOPGFXCFSA-N	0	313.397	DG	3.194	1	Anodyne	mid	DGAAMN	CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1	in-man
CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1	ZINC000000002284	11/16/97/431111697	CBQGYUDMJHNJBX-MOPGFXCFSA-N	0	313.397	DG	3.194	0	Anodyne	ref	DGAARN	CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1C[NH2+]CCO1	in-man
CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O	ZINC000000004594	66/84/21/180668421	MTHORRSSURHQPZ-UHFFFAOYSA-N	-1	324.38	DG	3.464	0	Anodyne	ref	DGAARM	CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)[O-]	investigational
O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12	ZINC000000004763	11/23/43/431112343	KNBSYZNKEAWABY-UHFFFAOYSA-N	-2	302.113	DG	3.19	0	Anodyne	ref	DGAARL	O=C([O-])CCc1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12	in-vivo
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12	ZINC000000006014	21/87/65/285218765	CZQHHVNHHHRRDU-UHFFFAOYSA-N	0	307.349	DG	3.297	0	Anodyne	ref	DGAARN	O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12	in-vivo
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	ZINC000000006923	11/19/28/431111928	CBQGYUDMJHNJBX-OALUTQOASA-N	0	313.397	DG	3.194	1	Anodyne	mid	DGAAMN	CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	world
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	ZINC000000006923	11/19/18/431111918	CBQGYUDMJHNJBX-OALUTQOASA-N	0	313.397	DG	3.194	0	Anodyne	ref	DGAARN	CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1C[NH2+]CCO1	world
O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21	ZINC000000009295	25/41/96/304254196	MYKOWOGZBMOVBJ-UHFFFAOYSA-N	-1	314.3	DG	3.29	0	Bother	ref	DGBARM	O=C([O-])c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21	in-vitro
CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1	ZINC000000009689	66/93/37/180669337	OELFLUMRDSZNSF-OFLPRAFFSA-N	-1	317.429	DG	3.261	0	Anodyne	ref	DGAARM	CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1	fda
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2	ZINC000000044851	11/40/10/431114010	ZBKFZIUKXTWQTP-QGZVFWFLSA-N	0	313.397	DG	3.181	3	Anodyne	high	DGAAHN	COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2	in-vitro biogenic
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2	ZINC000000044851	11/40/03/431114003	ZBKFZIUKXTWQTP-QGZVFWFLSA-N	1	313.397	DG	3.181	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC2	in-vitro biogenic
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2	ZINC000000044851	11/39/95/431113995	ZBKFZIUKXTWQTP-QGZVFWFLSA-N	1	313.397	DG	3.181	0	Anodyne	ref	DGAARO	COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2	in-vitro biogenic
O=C(O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	ZINC000000156160	13/59/61/431135961	YPGYLCZBZKRYQJ-UHFFFAOYSA-N	-1	318.169	DG	3.267	0	Anodyne	ref	DGAARM	O=C([O-])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	in-vitro
COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1	ZINC000000184126	14/22/89/431142289	FQUAFMNPXPXOJE-UHFFFAOYSA-N	-1	305.399	DG	3.421	3	Anodyne	high	DGAAHM	COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1	in-vitro
COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1	ZINC000000184126	14/22/83/431142283	FQUAFMNPXPXOJE-UHFFFAOYSA-N	0	305.399	DG	3.421	0	Anodyne	ref	DGAARN	COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1	in-vitro
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	ZINC000000356680	17/80/62/560178062	WLKOCYWYAWBGKY-CPNJWEJPSA-N	-1	311.385	DG	3.002	3	Reactive	high	DGGAHM	CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([O-])cc2)cc1	in-vitro
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	ZINC000000356680	17/80/61/560178061	WLKOCYWYAWBGKY-CPNJWEJPSA-N	1	311.385	DG	3.002	2	Reactive	low	DGGALO	CCN(CC)c1ccc(/C=[NH+]/NC(=O)c2ccc(O)cc2)cc1	in-vitro
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	ZINC000000356680	17/80/58/560178058	WLKOCYWYAWBGKY-CPNJWEJPSA-N	0	311.385	DG	3.002	0	Reactive	ref	DGGARN	CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	in-vitro
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21	ZINC000000898159	44/17/57/134441757	TXDUTHBFYKGSAH-SFHVURJKSA-N	0	303.365	DG	3.315	0	Clean	ref	DGCARN	CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21	in-vitro biogenic
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21	ZINC000001383151	28/57/92/277285792	PBBRWFOVCUAONR-UHFFFAOYSA-N	1	301.781	DG	3.484	2	Anodyne	low	DGAALO	CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)[nH+]cnc21	investigational
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21	ZINC000001383151	28/57/90/277285790	PBBRWFOVCUAONR-UHFFFAOYSA-N	0	301.781	DG	3.484	0	Anodyne	ref	DGAARN	CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21	investigational
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1	ZINC000001542002	23/00/98/431230098	KKGQTZUTZRNORY-UHFFFAOYSA-N	1	307.478	DG	3.204	0	Mild	ref	DGEARO	CCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1	fda
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O	ZINC000001612328	23/25/85/431232585	UXDFUVFNIAJEGM-UHFFFAOYSA-N	0	318.369	DG	3.212	0	Anodyne	ref	DGAARN	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O	in-vitro biogenic
COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl	ZINC000001753799	23/87/91/431238791	CEIIEALEIHQDBX-UHFFFAOYSA-N	0	311.725	DG	3.298	0	Anodyne	ref	DGAARN	COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl	in-vitro
CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	ZINC000001846916	23/97/90/431239790	OELFLUMRDSZNSF-JCYILVPMSA-N	-1	317.429	DG	3.261	0	Anodyne	ref	DGAARM	CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	in-vitro
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12	ZINC000002020083	24/21/90/431242190	CNBGNNVCVSKAQZ-UHFFFAOYSA-N	1	309.413	DG	3.415	0	Anodyne	ref	DGAARO	C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccccc12	world
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21	ZINC000002031813	24/47/01/431244701	TXDUTHBFYKGSAH-GOSISDBHSA-N	0	303.365	DG	3.315	0	Clean	ref	DGCARN	CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21	in-vitro biogenic
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	ZINC000003831404	08/37/36/400083736	LOUPRKONTZGTKE-WZBLMQSHSA-N	1	324.424	DG	3.173	1	Mild	mid	DGEAMO	C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	fda biogenic
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	ZINC000003831404	08/37/25/400083725	LOUPRKONTZGTKE-WZBLMQSHSA-N	1	324.424	DG	3.173	0	Mild	ref	DGEARO	C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	fda biogenic
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000003831405	29/28/61/431292861	LOUPRKONTZGTKE-LHHVKLHASA-N	1	324.424	DG	3.173	1	Mild	mid	DGEAMO	C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	fda biogenic
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000003831405	29/28/47/431292847	LOUPRKONTZGTKE-LHHVKLHASA-N	1	324.424	DG	3.173	0	Mild	ref	DGEARO	C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	fda biogenic
Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O	ZINC000003834032	04/79/55/181047955	NHFDRBXTEDBWCZ-ZROIWOOFSA-N	-1	310.353	DG	3.141	0	Anodyne	ref	DGAARM	Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)[O-]	investigational
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000003843105	04/81/20/181048120	JEZZOKXIXNSKQD-UHFFFAOYSA-N	0	302.246	DG	3.147	0	Bother	ref	DGBARN	O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	in-vivo
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1	ZINC000003872605	05/06/87/181050687	CJOFXWAVKWHTFT-XSFVSMFZSA-N	0	318.339	DG	3.202	3	Mild	high	DGEAHN	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1	fda
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1	ZINC000003872605	05/06/83/181050683	CJOFXWAVKWHTFT-XSFVSMFZSA-N	1	318.339	DG	3.202	0	Mild	ref	DGEARO	COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1	fda
CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C	ZINC000003875265	05/11/65/181051165	PMUJUSJUVIXDQC-LCYFTJDESA-N	0	310.353	DG	3.301	0	Anodyne	ref	DGAARN	CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C	in-vitro
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000003875392	29/39/05/431293905	MKJIEFSOBYUXJB-ZBFHGGJFSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2	fda
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000003875392	29/38/99/431293899	MKJIEFSOBYUXJB-ZBFHGGJFSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)C[N@@H+]1CC2	fda
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2	ZINC000003875392	29/38/89/431293889	MKJIEFSOBYUXJB-ZBFHGGJFSA-N	1	317.429	DG	3.238	0	Anodyne	ref	DGAARO	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2	fda
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000003875393	39/46/25/277394625	MKJIEFSOBYUXJB-HOCLYGCPSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C[N@H+]1CC2	fda
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000003875393	39/46/23/277394623	MKJIEFSOBYUXJB-HOCLYGCPSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C[N@@H+]1CC2	fda
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000003875393	39/46/19/277394619	MKJIEFSOBYUXJB-HOCLYGCPSA-N	0	317.429	DG	3.238	0	Anodyne	ref	DGAARN	COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	fda
O=S(=O)(C[C@H]1CS1)c1ccc(Oc2ccccc2)cc1	ZINC000003976469	05/97/77/181059777	LSONWRHLFZYHIN-CQSZACIVSA-N	0	306.408	DG	3.368	0	Anodyne	ref	DGAARN	O=S(=O)(C[C@H]1CS1)c1ccc(Oc2ccccc2)cc1	in-vitro
CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1	ZINC000003996032	06/04/43/181060443	CBQGYUDMJHNJBX-RTBURBONSA-N	0	313.397	DG	3.194	1	Anodyne	mid	DGAAMN	CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1	world
CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1	ZINC000003996032	06/04/42/181060442	CBQGYUDMJHNJBX-RTBURBONSA-N	1	313.397	DG	3.194	0	Anodyne	ref	DGAARO	CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[NH2+]CCO1	world
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O	ZINC000004096672	07/29/35/181072935	RZRPTBIGEANTGU-IRIMSJTPSA-N	0	300.398	DG	3.266	0	Mild	ref	DGEARN	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O	in-man endogenous
CC(C)[C@H]1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)C1	ZINC000004654792	13/29/84/181132984	CZCVBLROPSHDRZ-YESZJQIVSA-N	-1	317.429	DG	3.261	0	Anodyne	ref	DGAARM	CC(C)[C@H]1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1	in-vitro
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000005141311	08/63/59/400086359	LOUPRKONTZGTKE-ITHTXLDVSA-N	1	324.424	DG	3.173	1	Mild	mid	DGEAMO	C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	world
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	ZINC000005141311	08/63/51/400086351	LOUPRKONTZGTKE-ITHTXLDVSA-N	1	324.424	DG	3.173	0	Mild	ref	DGEARO	C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	world
C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O	ZINC000005534993	08/84/11/400088411	RZRPTBIGEANTGU-CSJNCLCHSA-N	0	300.398	DG	3.266	0	Anodyne	ref	DGAARN	C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O	 
COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1	ZINC000005700753	27/40/25/181274025	OMZRMXULWNMRAE-BMRADRMJSA-N	0	322.316	DG	3.097	2	Anodyne	low	DGAALN	COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1	in-vitro
COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1	ZINC000005700753	27/40/22/181274022	OMZRMXULWNMRAE-BMRADRMJSA-N	-1	322.316	DG	3.097	0	Anodyne	ref	DGAARM	COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1[O-])c1ccccc1	in-vitro
COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1	ZINC000005998802	30/43/05/181304305	ZPFRAPVRYLGYEC-UHFFFAOYSA-N	-1	316.353	DG	3.234	1	Anodyne	mid	DGAAMM	COc1cc(OC)c(CCC(=O)c2ccc([O-])cc2)c(OC)c1	in-vitro biogenic
COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1	ZINC000005998802	30/43/04/181304304	ZPFRAPVRYLGYEC-UHFFFAOYSA-N	0	316.353	DG	3.234	0	Anodyne	ref	DGAARN	COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1	in-vitro biogenic
Oc1c(I)cc(Cl)c2cccnc12	ZINC000006409735	45/08/68/280450868	QCDFBFJGMNKBDO-UHFFFAOYSA-N	0	305.502	DG	3.198	1	Anodyne	mid	DGAAMN	Oc1c(I)cc(Cl)c2cccnc12	fda aggregator
Oc1c(I)cc(Cl)c2cccnc12	ZINC000006409735	45/08/64/280450864	QCDFBFJGMNKBDO-UHFFFAOYSA-N	-1	305.502	DG	3.198	0	Anodyne	ref	DGAARM	[O-]c1c(I)cc(Cl)c2cccnc12	fda aggregator
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000008552123	26/08/29/286260829	MKJIEFSOBYUXJB-GOEBONIOSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)C[N@H+]1CC2	fda
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000008552123	26/08/28/286260828	MKJIEFSOBYUXJB-GOEBONIOSA-N	1	317.429	DG	3.238	1	Anodyne	mid	DGAAMO	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)C[N@@H+]1CC2	fda
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	ZINC000008552123	26/08/27/286260827	MKJIEFSOBYUXJB-GOEBONIOSA-N	0	317.429	DG	3.238	0	Anodyne	ref	DGAARN	COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2	fda
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)C(=O)CC[C@H]12	ZINC000008580942	12/78/60/400127860	RZRPTBIGEANTGU-GFPCFBFFSA-N	0	300.398	DG	3.266	0	Anodyne	ref	DGAARN	C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)C(=O)CC[C@H]12	 
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	ZINC000009212424	42/67/00/431426700	LOUPRKONTZGTKE-RYMBOPBQSA-N	1	324.424	DG	3.173	1	Mild	mid	DGEAMO	C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	world
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	ZINC000009212424	42/66/93/431426693	LOUPRKONTZGTKE-RYMBOPBQSA-N	1	324.424	DG	3.173	0	Mild	ref	DGEARO	C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	world
COc1cc(OC)c(/C=C2\C(=O)Nc3ccccc32)c(OC)c1	ZINC000012339629	50/31/89/431503189	JBJYTZXCZDNOJW-RAXLEYEMSA-N	0	311.337	DG	3.205	0	Anodyne	ref	DGAARN	COc1cc(OC)c(/C=C2\C(=O)Nc3ccccc32)c(OC)c1	in-vitro
COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1	ZINC000012466082	51/15/85/431511585	CJOFXWAVKWHTFT-ZHZULCJRSA-N	0	318.339	DG	3.202	3	Mild	high	DGEAHN	COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1	fda
COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1	ZINC000012466082	51/15/76/431511576	CJOFXWAVKWHTFT-ZHZULCJRSA-N	1	318.339	DG	3.202	0	Mild	ref	DGEARO	COCCCC/C(=N/OCC[NH3+])c1ccc(C(F)(F)F)cc1	fda
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	ZINC000013467799	55/64/69/431556469	KLGQSVMIPOVQAX-UHFFFAOYSA-N	-1	312.316	DG	3.245	3	Anodyne	high	DGAAHM	O=c1[n-]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	in-vitro
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	ZINC000013467799	55/64/63/431556463	KLGQSVMIPOVQAX-UHFFFAOYSA-N	0	312.316	DG	3.245	0	Anodyne	ref	DGAARN	O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2	in-vitro
CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	ZINC000013671719	56/38/92/431563892	LAMIXXKAWNLXOC-MRXNPFEDSA-N	0	312.369	DG	3.184	0	Mild	ref	DGEBRN	CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	in-vitro
CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	ZINC000013671721	56/32/29/431563229	LAMIXXKAWNLXOC-INIZCTEOSA-N	0	312.369	DG	3.184	0	Mild	ref	DGEARN	CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1	investigational
O=S(=O)(C[C@@H]1CS1)c1ccc(Oc2ccccc2)cc1	ZINC000013916763	57/19/27/431571927	LSONWRHLFZYHIN-AWEZNQCLSA-N	0	306.408	DG	3.368	0	Anodyne	ref	DGAARN	O=S(=O)(C[C@@H]1CS1)c1ccc(Oc2ccccc2)cc1	in-vitro
CCN(CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	ZINC000019369227	12/01/78/182120178	RYOOHIUJEJZCFT-SFHVURJKSA-N	0	320.477	DG	3.248	3	Anodyne	high	DGAAHN	CCN(CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	world
CCN(CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	ZINC000019369227	12/01/77/182120177	RYOOHIUJEJZCFT-SFHVURJKSA-N	1	320.477	DG	3.248	0	Anodyne	ref	DGAARO	CC[NH+](CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1	world
CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1	ZINC000019369230	12/00/94/182120094	RYOOHIUJEJZCFT-GOSISDBHSA-N	0	320.477	DG	3.248	3	Anodyne	high	DGAAHN	CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1	world
CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1	ZINC000019369230	12/00/92/182120092	RYOOHIUJEJZCFT-GOSISDBHSA-N	1	320.477	DG	3.248	0	Anodyne	ref	DGAARO	CC[NH+](CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1	world
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1	ZINC000020148984	19/19/83/182191983	NVRXTLZYXZNATH-UHFFFAOYSA-N	1	319.372	DG	3.067	2	Anodyne	low	DGAALO	Nc1[nH+]cnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1	in-vivo
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1	ZINC000020148984	19/19/79/182191979	NVRXTLZYXZNATH-UHFFFAOYSA-N	0	319.372	DG	3.067	0	Anodyne	ref	DGAARN	Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1	in-vivo
O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000027646328	69/18/16/431691816	OYYVWNDMOQPMGE-SDQBBNPISA-N	-2	305.286	DG	3.115	3	Anodyne	high	DGAAHL	O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3[O-])o2)S1	in-vitro
O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000027646328	69/18/09/431691809	OYYVWNDMOQPMGE-SDQBBNPISA-N	-1	305.286	DG	3.115	1	Anodyne	mid	DGAAMM	O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3[O-])o2)S1	in-vitro
O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000027646328	69/18/03/431691803	OYYVWNDMOQPMGE-SDQBBNPISA-N	0	305.286	DG	3.115	0	Anodyne	ref	DGAARN	O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)S1	in-vitro
COc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1OC	ZINC000028240588	70/18/15/431701815	QAZJUVDICQNITG-UHFFFAOYSA-N	0	323.352	DG	3.346	0	Anodyne	ref	DGAARN	COc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1OC	in-vitro
CC1(C)[C@H]2CCC3=C[C@@](C)([C@@H](O)CO)CC[C@H]3[C@]2(C)CC[C@H]1O	ZINC000033754089	81/40/46/431814046	NCAZLDCEJHFJDT-KHKZNYETSA-N	0	322.489	DG	3.28	0	Anodyne	ref	DGAARN	CC1(C)[C@H]2CCC3=C[C@@](C)([C@@H](O)CO)CC[C@H]3[C@]2(C)CC[C@H]1O	in-vitro biogenic
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O	ZINC000034150992	38/56/24/400385624	RZRPTBIGEANTGU-CUDZTTRCSA-N	0	300.398	DG	3.266	0	Anodyne	ref	DGAARN	C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O	 
O=C1NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000035212817	82/68/14/431826814	OYYVWNDMOQPMGE-WUXMJOGZSA-N	-2	305.286	DG	3.115	3	Anodyne	high	DGAAHL	O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3[O-])o2)S1	in-vitro
O=C1NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000035212817	82/68/11/431826811	OYYVWNDMOQPMGE-WUXMJOGZSA-N	-1	305.286	DG	3.115	1	Anodyne	mid	DGAAMM	O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3[O-])o2)S1	in-vitro
O=C1NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3O)o2)S1	ZINC000035212817	82/67/96/431826796	OYYVWNDMOQPMGE-WUXMJOGZSA-N	0	305.286	DG	3.115	0	Anodyne	ref	DGAARN	O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)S1	in-vitro
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl	ZINC000035636067	83/26/86/431832686	MMPAULQSJLVKHP-UHFFFAOYSA-N	0	306.156	DG	3.09	0	Anodyne	ref	DGAARN	Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl	in-vitro
NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1	ZINC000043203108	86/77/71/431867771	QHLITPHIARVDJI-UHFFFAOYSA-N	1	318.424	DG	3.472	0	Anodyne	ref	DGAARO	[NH3+]CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1	in-vitro
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	ZINC000043207851	34/40/38/183344038	HFNKQEVNSGCOJV-OAHLLOKOSA-N	0	306.373	DG	3.466	0	Mild	ref	DGEARN	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	fda