COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	ZINC000000537874	22/46/68/506224668	QQQIECGTIMUVDS-UHFFFAOYSA-N	0	358.438	FF	2.574	3	Anodyne	high	FFAAHN	COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	world
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC	ZINC000000537874	22/46/61/506224661	QQQIECGTIMUVDS-UHFFFAOYSA-N	1	358.438	FF	2.574	0	Anodyne	ref	FFAARO	COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC	world
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	ZINC000000538538	30/53/63/219305363	MTZBBNMLMNBNJL-UHFFFAOYSA-N	0	354.815	FF	2.562	2	Anodyne	low	FFAALN	Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	world
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O	ZINC000000538538	30/53/60/219305360	MTZBBNMLMNBNJL-UHFFFAOYSA-N	-1	354.815	FF	2.562	0	Anodyne	ref	FFAARM	Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	world
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1	ZINC000000640078	30/73/90/219307390	RUPQNAVADOVYKW-UHFFFAOYSA-N	-1	359.447	FF	2.802	0	Anodyne	ref	FFAARM	Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1	in-vitro
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO	ZINC000001538192	26/43/82/506264382	ARBYGDBJECGMGA-UHFFFAOYSA-N	0	369.343	FF	2.897	0	Mild	ref	FFEARN	CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO	 
CC(C)(C)NC[C@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1	ZINC000001542905	41/00/28/219410028	BHIAIPWSVYSKJS-VIFPVBQESA-N	1	371.553	FF	2.812	0	Anodyne	ref	FFAARO	CC(C)(C)[NH2+]C[C@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1	world
CC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1	ZINC000001846151	26/82/64/506268264	BHIAIPWSVYSKJS-SECBINFHSA-N	1	371.553	FF	2.812	0	Anodyne	ref	FFAARO	CC(C)(C)[NH2+]C[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1	world
C[C@@H](O)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002389805	03/64/73/204036473	YBKRZKSVPNEMQK-XIKOKIGWSA-N	-1	355.39	FF	2.701	0	Anodyne	ref	FFAARM	C[C@@H](O)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21	 
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003860825	34/98/10/506349810	BLGXFZZNTVWLAY-SCYLSFHTSA-N	1	354.45	FF	2.647	1	Anodyne	mid	FFAAMO	COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	world biogenic
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003860825	34/98/08/506349808	BLGXFZZNTVWLAY-SCYLSFHTSA-N	1	354.45	FF	2.647	1	Anodyne	mid	FFAAMO	COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	world biogenic
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	ZINC000003860825	34/98/03/506349803	BLGXFZZNTVWLAY-SCYLSFHTSA-N	1	354.45	FF	2.647	0	Anodyne	ref	FFAARO	COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21	world biogenic
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1	ZINC000003952881	35/31/16/506353116	IPOKCKJONYRRHP-FMQUCBEESA-N	-2	357.322	FF	2.71	0	Clean	ref	FFCARL	O=C([O-])CCNC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	fda
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1	ZINC000003982174	35/33/45/506353345	HWKROQUZSKPIKQ-MRXNPFEDSA-N	0	352.5	FF	2.667	3	Anodyne	high	FFAAHN	CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1	in-vivo
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1	ZINC000003982174	35/33/33/506353333	HWKROQUZSKPIKQ-MRXNPFEDSA-N	1	352.5	FF	2.667	0	Anodyne	ref	FFAARO	CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1	in-vivo
O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2CO)O1	ZINC000004261895	00/88/07/207008807	SZJVIFMPKWMGSX-AKHDSKFASA-N	0	352.386	FF	2.823	0	Anodyne	ref	FFAARN	O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2CO)O1	in-vitro
CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)O	ZINC000004534254	14/48/29/204144829	QYYCZJUFHDLLOJ-CQSZACIVSA-N	-1	366.414	FF	2.671	0	Anodyne	ref	FFAARM	CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)[O-]	 
O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1	ZINC000004578856	38/39/64/506383964	AHSGHEXYEABOKT-UHFFFAOYSA-N	0	358.39	FF	2.734	0	Anodyne	ref	FFAARN	O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1	 
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/53/13/506945313	IXEQEYRTSRFZEO-UHFFFAOYSA-N	0	361.423	FF	2.566	2	Anodyne	low	FFAALN	COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	world endogenous
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/53/08/506945308	IXEQEYRTSRFZEO-UHFFFAOYSA-N	-1	361.423	FF	2.566	1	Anodyne	mid	FFAAMM	COc1ccc2[n-]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	world endogenous
COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1	ZINC000013559434	94/52/86/506945286	IXEQEYRTSRFZEO-UHFFFAOYSA-N	-1	361.423	FF	2.566	0	Anodyne	ref	FFAARM	COc1ccc2nc(S(=O)(=O)Cc3ncc(C)c(OC)c3C)[n-]c2c1	world endogenous
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696671	10/37/25/507103725	ABGJULHDDNEULW-KRWDZBQOSA-N	0	355.463	FF	2.974	1	Anodyne	mid	FFAAMN	CCc1ccc(CCOc2ccc(CC3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696671	10/37/10/507103710	ABGJULHDDNEULW-KRWDZBQOSA-N	0	355.463	FF	2.974	0	Anodyne	ref	FFAARN	CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696673	19/08/76/220190876	ABGJULHDDNEULW-QGZVFWFLSA-N	0	355.463	FF	2.974	1	Anodyne	mid	FFAAMN	CCc1ccc(CCOc2ccc(CC3SC(=N)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	ZINC000016696673	19/08/73/220190873	ABGJULHDDNEULW-QGZVFWFLSA-N	0	355.463	FF	2.974	0	Anodyne	ref	FFAARN	CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1	in-vitro
FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1	ZINC000021299393	25/07/89/507250789	AJQZNMCGFMDKGJ-UHFFFAOYSA-N	0	366.759	FF	2.638	0	Anodyne	ref	FFAARN	FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1	 
O=Cc1cc(I)cc(I)c1	ZINC000022004948	33/53/17/211335317	WBPOINHGBSDFDZ-UHFFFAOYSA-N	0	357.916	FF	2.708	0	Anodyne	ref	FFAARN	O=Cc1cc(I)cc(I)c1	 
O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@@H]1CC[C@@H]2O[C@@H]2C1	ZINC000025723225	43/67/51/211436751	DJUWPHRCMMMSCV-GVLSGGHMSA-N	0	366.454	FF	2.768	0	Mild	ref	FFEARN	O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@@H]1CC[C@@H]2O[C@@H]2C1	 
COc1ccc2c(c1)nc([S@](=O)Cc1ncc(C)c(OC)c1C)n2C	ZINC000033835490	36/41/97/506364197	RUGQJBJNYIHOIW-VWLOTQADSA-N	0	359.451	FF	2.91	0	Anodyne	ref	FFAARN	COc1ccc2c(c1)nc([S@](=O)Cc1ncc(C)c(OC)c1C)n2C	 
COc1ccc2c(c1)nc([S@@](=O)Cc1ncc(C)c(OC)c1C)n2C	ZINC000033835491	36/45/25/506364525	RUGQJBJNYIHOIW-RUZDIDTESA-N	0	359.451	FF	2.91	0	Anodyne	ref	FFAARN	COc1ccc2c(c1)nc([S@@](=O)Cc1ncc(C)c(OC)c1C)n2C	 
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1	ZINC000034913565	37/42/11/506374211	LIPVUDSNGRJSQE-CRAIPNDOSA-N	0	350.374	FF	2.673	0	Anodyne	ref	FFAARN	COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1	in-vitro
CCC(CC)C1=NO[C@@H]2[C@@H](C(=O)OC)C[C@@H](NC(=O)OC(C)(C)C)[C@H]12	ZINC000038986725	45/76/71/211457671	WYUYCGDXMIJIAZ-KYEXWDHISA-N	0	354.447	FF	2.88	0	Anodyne	ref	FFAARN	CCC(CC)C1=NO[C@@H]2[C@@H](C(=O)OC)C[C@@H](NC(=O)OC(C)(C)C)[C@H]12	 
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	ZINC000043199551	30/36/20/208303620	NETXMUIMUZJUTB-UHFFFAOYSA-N	0	370.405	FF	2.595	0	Anodyne	ref	FFAARN	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1	investigational
COC(=O)c1c(-c2ccc(F)cc2)nc(S(C)(=O)=O)nc1C(C)C	ZINC000065743310	69/29/09/208692909	YEMPJZCYHYWHGT-UHFFFAOYSA-N	0	352.387	FF	2.596	0	Anodyne	ref	FFAARN	COC(=O)c1c(-c2ccc(F)cc2)nc(S(C)(=O)=O)nc1C(C)C	in-vitro
C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	ZINC000071974003	73/19/56/507731956	OUKYMZJNLWKCSO-JXXFODFXSA-N	0	372.348	FF	2.723	0	Anodyne	ref	FFAARN	C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	 
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	ZINC000100018451	23/81/37/508238137	ANMATWQYLIFGOK-UHFFFAOYSA-N	0	374.374	FF	2.525	1	Anodyne	mid	FFAAMN	CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	investigational
CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	ZINC000100018451	23/81/36/508238136	ANMATWQYLIFGOK-UHFFFAOYSA-N	-1	374.374	FF	2.525	0	Anodyne	ref	FFAARM	CS(=O)(=O)[N-]c1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1	investigational