C[C@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1	ZINC000000000694	66/78/27/180667827	YJQZYXCXBBCEAQ-FZKQIMNGSA-N	1	301.386	DF	2.742	0	Anodyne	ref	DFAARO	C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1	in-man
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1	ZINC000000001003	66/75/22/180667522	FEJKLNWAOXSSNR-UHFFFAOYSA-N	0	313.309	DF	2.79	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1	world
C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1	ZINC000000001078	53/00/54/425530054	YJQZYXCXBBCEAQ-ACJLOTCBSA-N	1	301.386	DF	2.742	0	Anodyne	ref	DFAARO	C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(O)cc1	in-man
COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1	ZINC000000403210	55/84/36/425558436	LHBHZALHFIQJGJ-CABCVRRESA-N	0	301.367	DF	2.842	0	Anodyne	ref	DFAARN	COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1	in-vitro
COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1	ZINC000000403211	38/05/10/286380510	LHBHZALHFIQJGJ-HUUCEWRRSA-N	0	301.367	DF	2.842	0	Anodyne	ref	DFAARN	COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1	 
O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1	ZINC000001482913	58/11/24/425581124	WPGGHFDDFPHPOB-BBWFWOEESA-N	-1	315.413	DF	2.969	0	Anodyne	ref	DFAARM	O=C([O-])[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1	world
CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1	ZINC000001533688	87/12/49/180871249	CHNUOJQWGUIOLD-NFZZJPOKSA-N	-1	319.407	DF	2.919	0	Clean	ref	DFCARM	CC(/C=C1\SC(=S)N(CC(=O)[O-])C1=O)=C\c1ccccc1	world
CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1	ZINC000001542906	58/26/75/425582675	WDKXLLJDNUBYCY-UHFFFAOYSA-N	1	307.39	DF	2.571	0	Anodyne	ref	DFAARO	C[NH2+]CCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1	world
C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1	ZINC000002014184	90/60/24/180906024	YJQZYXCXBBCEAQ-UGSOOPFHSA-N	1	301.386	DF	2.742	0	Anodyne	ref	DFAARO	C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(O)cc1	in-man
C[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1	ZINC000002014185	58/89/66/425588966	YJQZYXCXBBCEAQ-SCLBCKFNSA-N	1	301.386	DF	2.742	0	Anodyne	ref	DFAARO	C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1	in-man
O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1	ZINC000002041023	58/89/11/425588911	NXQMCAOPTPLPRL-UHFFFAOYSA-N	0	314.337	DF	2.717	0	Anodyne	ref	DFAARN	O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1	 
Fc1nccc(I)c1Br	ZINC000002384120	59/24/76/425592476	IAZJZTNSBFOSIS-UHFFFAOYSA-N	0	301.884	DF	2.588	0	Anodyne	ref	DFAARN	Fc1nccc(I)c1Br	 
O=C1CCCCN1c1ccc(I)cc1	ZINC000002524404	31/77/83/296317783	OYDSTJMVOOOYDW-UHFFFAOYSA-N	0	301.127	DF	2.808	0	Anodyne	ref	DFAARN	O=C1CCCCN1c1ccc(I)cc1	 
CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1	ZINC000002539212	59/43/65/425594365	NCLAAKQIHUIOIV-ZDUSSCGKSA-N	-1	309.362	DF	2.606	0	Anodyne	ref	DFAARM	CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	 
N#Cc1cc(Br)ccc1I	ZINC000002567828	59/62/39/425596239	JIGKPMMZNMQXDL-UHFFFAOYSA-N	0	307.916	DF	2.925	0	Mild	ref	DFEARN	N#Cc1cc(Br)ccc1I	 
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O	ZINC000002583086	93/79/90/180937990	BSFODZRINGCUSL-CYBMUJFWSA-N	-1	322.336	DF	2.827	0	Anodyne	ref	DFAARM	CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)[O-]	 
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000004117395	61/65/64/425616564	AVCKOFMRPAJEPN-UHFFFAOYSA-N	0	313.357	DF	2.93	0	Clean	ref	DFCARN	COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	in-vitro
CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12	ZINC000004199922	08/44/11/181084411	YRRWQMBIMZMVDB-UHFFFAOYSA-N	0	312.373	DF	2.744	0	Anodyne	ref	DFAARN	CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12	in-vitro
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12	ZINC000004215816	08/55/78/181085578	UHQGCIIQUZBJAE-RRQVMCLOSA-N	0	302.414	DF	2.883	0	Anodyne	ref	DFAARN	COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12	in-man
CCOC(=O)Cc1csc(NC(=O)OCc2ccccc2)n1	ZINC000005952833	29/98/85/181299885	PBZLVBQMTYWJAE-UHFFFAOYSA-N	-1	320.37	DF	2.997	3	Anodyne	high	DFABHM	CCOC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[n-]1	 
CCOC(=O)Cc1csc(NC(=O)OCc2ccccc2)n1	ZINC000005952833	29/98/83/181299883	PBZLVBQMTYWJAE-UHFFFAOYSA-N	0	320.37	DF	2.997	0	Anodyne	ref	DFABRN	CCOC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[nH]1	 
CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12	ZINC000008855176	67/77/89/425677789	MXQUEDUMKWBYHI-UHFFFAOYSA-N	0	312.373	DF	2.675	0	Anodyne	ref	DFAARN	CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12	in-vitro
O=C(O)[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1	ZINC000011616579	70/94/65/425709465	WPGGHFDDFPHPOB-IXDOHACOSA-N	-1	315.413	DF	2.969	0	Anodyne	ref	DFAARM	O=C([O-])[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1	world
CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1	ZINC000011726211	02/37/94/277023794	MWTBKTRZPHJQLH-UHFFFAOYSA-N	1	307.397	DF	2.779	1	Clean	mid	DFCAMO	C[NH+]1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1	fda
CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1	ZINC000011726211	02/37/91/277023791	MWTBKTRZPHJQLH-UHFFFAOYSA-N	0	307.397	DF	2.779	0	Clean	ref	DFCARN	CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1	fda
COC(=O)c1cc(Br)cn1C(=O)OC(C)(C)C	ZINC000012336657	72/43/51/425724351	BLWTUIPDLAVPHI-UHFFFAOYSA-N	0	304.14	DF	2.82	0	Anodyne	ref	DFAARN	COC(=O)c1cc(Br)cn1C(=O)OC(C)(C)C	 
Brc1cc(I)c2cn[nH]c2c1	ZINC000014983177	76/67/20/276766720	VOEAVIHSGOANQS-UHFFFAOYSA-N	0	322.931	DF	2.93	0	Anodyne	ref	DFAARN	Brc1cc(I)c2c[nH]nc2c1	 
Brc1ccc2[nH]nc(I)c2c1	ZINC000014983562	77/79/50/425777950	IBFAYUXCRDDBRD-UHFFFAOYSA-N	0	322.931	DF	2.93	0	Anodyne	ref	DFAARN	Brc1ccc2[nH]nc(I)c2c1	 
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2cc1O	ZINC000018178495	09/71/14/182097114	QSDHDEWDUFYUCO-UHFFFAOYSA-N	-1	319.32	DF	2.967	1	Anodyne	mid	DFAAMM	O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2cc1[O-]	 
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2cc1O	ZINC000018178495	09/71/13/182097113	QSDHDEWDUFYUCO-UHFFFAOYSA-N	0	319.32	DF	2.967	0	Anodyne	ref	DFAARN	O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2cc1O	 
CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O	ZINC000021298811	26/49/08/283264908	RGOFXWXKWORKIP-UHFFFAOYSA-N	0	307.758	DF	2.71	0	Anodyne	ref	DFAARN	CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O	in-vitro
CCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O	ZINC000021301131	64/68/86/190646886	RWCZOVMOKFTUAD-UHFFFAOYSA-N	0	310.712	DF	2.701	0	Anodyne	ref	DFAARN	CCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O	 
CN1c2ccccc2[C@@H](O)c2ccc(Cl)cc2S1(=O)=O	ZINC000021301610	26/59/32/283265932	KBRSJPHSCOAFDR-CQSZACIVSA-N	0	309.774	DF	2.56	0	Anodyne	ref	DFAARN	CN1c2ccccc2[C@@H](O)c2ccc(Cl)cc2S1(=O)=O	 
CN1c2ccccc2[C@H](O)c2ccc(Cl)cc2S1(=O)=O	ZINC000021301615	26/69/52/283266952	KBRSJPHSCOAFDR-AWEZNQCLSA-N	0	309.774	DF	2.56	0	Anodyne	ref	DFAARN	CN1c2ccccc2[C@H](O)c2ccc(Cl)cc2S1(=O)=O	 
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)O	ZINC000021991635	30/25/22/182302522	FDESQZBVTKLIQN-MLGOENBGSA-N	-1	317.429	DF	2.984	0	Anodyne	ref	DFAARM	C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)[O-]	 
N#CCC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1	ZINC000021999735	30/30/46/182303046	KSZGPBFUBSHVTO-UHFFFAOYSA-N	1	306.365	DF	2.917	2	Mild	low	DFEALO	N#CCC(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1	 
N#CCC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1	ZINC000021999735	30/30/45/182303045	KSZGPBFUBSHVTO-UHFFFAOYSA-N	0	306.365	DF	2.917	0	Mild	ref	DFEARN	N#CCC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1	 
CCCN(CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)O	ZINC000022005566	30/38/90/182303890	PBMNGLVZPSNABM-UHFFFAOYSA-N	0	308.378	DF	2.886	0	Bother	ref	DFBARN	CCC[NH+](CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)[O-]	 
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)O)C(C)C)cs1	ZINC000022008472	30/39/44/182303944	OSQWRZICKAOBFA-NSHDSACASA-N	-1	313.423	DF	2.517	0	Anodyne	ref	DFAARM	CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)[O-])C(C)C)cs1	 
O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/C(F)(F)COc2ccccc2)O1	ZINC000022011900	30/39/90/182303990	SJHMQXMERUQDSR-BNBDNKSYSA-N	0	324.323	DF	2.569	0	Anodyne	ref	DFAARN	O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/C(F)(F)COc2ccccc2)O1	 
COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)cc3C)nc2c1	ZINC000022056179	30/69/18/182306918	ZMXZYNHJPJEPAE-JOCHJYFZSA-N	0	315.398	DF	2.891	1	Anodyne	mid	DFAAMN	COc1ccc2nc([S@@](=O)Cc3ncc(C)cc3C)[nH]c2c1	in-vitro
COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)cc3C)nc2c1	ZINC000022056179	30/69/15/182306915	ZMXZYNHJPJEPAE-JOCHJYFZSA-N	0	315.398	DF	2.891	0	Anodyne	ref	DFAARN	COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)cc3C)nc2c1	in-vitro
COc1ccc2[nH]c([S@](=O)Cc3ncc(C)cc3C)nc2c1	ZINC000022056184	30/69/32/182306932	ZMXZYNHJPJEPAE-QFIPXVFZSA-N	0	315.398	DF	2.891	1	Anodyne	mid	DFAAMN	COc1ccc2nc([S@](=O)Cc3ncc(C)cc3C)[nH]c2c1	in-vitro
COc1ccc2[nH]c([S@](=O)Cc3ncc(C)cc3C)nc2c1	ZINC000022056184	30/69/29/182306929	ZMXZYNHJPJEPAE-QFIPXVFZSA-N	0	315.398	DF	2.891	0	Anodyne	ref	DFAARN	COc1ccc2[nH]c([S@](=O)Cc3ncc(C)cc3C)nc2c1	in-vitro
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O	ZINC000022059475	88/92/98/300889298	RBHBOUYXUXWCNJ-WDZFZDKYSA-N	-1	300.289	DF	2.962	0	Anodyne	ref	DFAARM	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)[O-]	in-vitro
FC(F)(F)/C(=N/OCC1OCCO1)c1ccc(Cl)cc1	ZINC000025756792	80/84/01/425808401	UKSLKNUCVPZQCQ-GZTJUZNOSA-N	0	309.671	DF	2.996	0	Mild	ref	DFEARN	FC(F)(F)/C(=N/OCC1OCCO1)c1ccc(Cl)cc1	in-vitro
OCc1cc(Br)ccc1I	ZINC000034537255	84/25/01/425842501	LBMPOOHWJBYWPY-UHFFFAOYSA-N	0	312.932	DF	2.546	0	Anodyne	ref	DFAARN	OCc1cc(Br)ccc1I	 
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000034892269	84/29/94/425842994	JESCETIFNOFKEU-SJORKVTESA-N	0	314.36	DF	2.683	3	Anodyne	high	DFAAHN	NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	investigational
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000034892269	84/29/93/425842993	JESCETIFNOFKEU-SJORKVTESA-N	1	314.36	DF	2.683	0	Anodyne	ref	DFAARO	NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)[NH2+]1	investigational
Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1	ZINC000036377905	84/57/48/425845748	BTOJSYRZQZOMOK-UHFFFAOYSA-N	0	307.762	DF	2.63	0	Anodyne	ref	DFAARN	Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1	 
COC(=O)Cc1csc(NC(=O)OCc2ccccc2)n1	ZINC000036815759	84/64/79/425846479	UKRDTJGASAPTHW-UHFFFAOYSA-N	-1	306.343	DF	2.607	3	Anodyne	high	DFABHM	COC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[n-]1	 
COC(=O)Cc1csc(NC(=O)OCc2ccccc2)n1	ZINC000036815759	84/64/78/425846478	UKRDTJGASAPTHW-UHFFFAOYSA-N	0	306.343	DF	2.607	0	Anodyne	ref	DFABRN	COC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[nH]1	 
O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(Cl)c(F)c(F)cc2c1=O	ZINC000038882627	27/46/27/304274627	HYNVUCYYHOBXLB-POYBYMJQSA-N	-1	317.65	DF	2.914	0	Anodyne	ref	DFAARM	O=C([O-])c1cn([C@@H]2C[C@@H]2F)c2c(Cl)c(F)c(F)cc2c1=O	 
CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)N1	ZINC000039407597	01/81/95/183018195	DOUUPKDLDFXKDX-AWEZNQCLSA-N	0	320.389	DF	2.634	0	Anodyne	ref	DFABRN	CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)N1	 
N#Cc1cc(I)ccc1Br	ZINC000039937516	85/10/54/425851054	KXTNUMXYGMBTSV-UHFFFAOYSA-N	0	307.916	DF	2.925	0	Mild	ref	DFEARN	N#Cc1cc(I)ccc1Br	 
CC(C)(C)OC(=O)N1CCN(c2n[nH]c3ccccc23)CC1	ZINC000040434578	52/00/22/275520022	WEOVGDITYLKKSN-UHFFFAOYSA-N	0	302.378	DF	2.62	0	Anodyne	ref	DFABRN	CC(C)(C)OC(=O)N1CCN(c2n[nH]c3ccccc23)CC1	 
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12	ZINC000040448404	18/20/17/277182017	YEJCWMVHDBKPBN-UHFFFAOYSA-N	0	302.374	DF	2.907	0	Anodyne	ref	DFAARN	CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12	in-vitro
C/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](S)C1	ZINC000059303160	13/67/06/184136706	ZQWBMXVEMVZOQI-LERPTODRSA-N	0	323.374	DF	2.654	0	Mild	ref	DFEBRN	C/C(=N\C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](S)C1	 
COC(=O)c1ccccc1Oc1ccc(N)cc1C(=O)OC	ZINC000072232900	07/95/27/191079527	RLWRZAZMFRUEIM-UHFFFAOYSA-N	0	301.298	DF	2.634	0	Anodyne	ref	DFAARN	COC(=O)c1ccccc1Oc1ccc(N)cc1C(=O)OC	 
Brc1cc(Br)c(Br)nn1	ZINC000072482100	76/67/07/276766707	ZRPHMOREEBHHIM-UHFFFAOYSA-N	0	316.778	DF	2.764	0	Anodyne	ref	DFAARN	Brc1cc(Br)c(Br)nn1	 
Brc1ccnc2[nH]c(I)cc12	ZINC000082046960	76/99/30/276769930	XYODINKLTLGRTD-UHFFFAOYSA-N	0	322.931	DF	2.93	0	Anodyne	ref	DFAARN	Brc1ccnc2[nH]c(I)cc12	 
CN(C=O)[C@H](C=O)CN1c2ccccc2Sc2ccccc21	ZINC000087491381	22/64/85/185226485	AOQXFHPQRITEKN-ZDUSSCGKSA-N	0	312.394	DF	2.945	0	Mild	ref	DFEBRN	CN(C=O)[C@H](C=O)CN1c2ccccc2Sc2ccccc21	 
CN(C=O)[C@@H](C=O)CN1c2ccccc2Sc2ccccc21	ZINC000087491383	22/65/41/185226541	AOQXFHPQRITEKN-CYBMUJFWSA-N	0	312.394	DF	2.945	0	Mild	ref	DFEBRN	CN(C=O)[C@@H](C=O)CN1c2ccccc2Sc2ccccc21	 
CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	ZINC000100004242	48/07/10/426480710	LGYTZKPVOAIUKX-UHFFFAOYSA-N	0	322.364	DF	2.967	2	Clean	low	DFCALN	CC(=O)CCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O	world
CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	ZINC000100004242	48/07/07/426480707	LGYTZKPVOAIUKX-UHFFFAOYSA-N	-1	322.364	DF	2.967	0	Clean	ref	DFCARM	CC(=O)CCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O	world
Cc1c(C(=O)/C=C/c2ccccc2)[n+](=O)c2ccccc2n1O	ZINC000106120919	26/13/88/257261388	LDDSKWFBAFJHJV-VAWYXSNFSA-N	1	307.329	DF	2.998	1	Mild	mid	DFEAMO	Cc1c(C(=O)C=Cc2ccccc2)[n+](=O)c2ccccc2n1O	 
Cc1c(C(=O)/C=C/c2ccccc2)[n+](=O)c2ccccc2n1O	ZINC000106120919	26/13/85/257261385	LDDSKWFBAFJHJV-VAWYXSNFSA-N	0	307.329	DF	2.998	0	Mild	ref	DFEARN	C=c1c(=C([O-])C=Cc2ccccc2)[n+](=O)c2ccccc2n1O	 
O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@H]1c1ccccc1	ZINC000106486339	69/64/66/398696466	QMFCPWCWOBYHCD-CMKODMSKSA-N	0	323.392	DF	2.758	1	Anodyne	mid	DFABMN	O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@H]1c1ccccc1	ZINC000106486339	69/64/60/398696460	QMFCPWCWOBYHCD-CMKODMSKSA-N	1	323.392	DF	2.758	0	Anodyne	ref	DFABRO	O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)[NH2+]CC[C@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@@H]1c1ccccc1	ZINC000106486341	69/64/85/398696485	QMFCPWCWOBYHCD-NLWGTHIKSA-N	0	323.392	DF	2.758	1	Anodyne	mid	DFABMN	O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)NCC[C@@H]1c1ccccc1	ZINC000106486341	69/64/79/398696479	QMFCPWCWOBYHCD-NLWGTHIKSA-N	1	323.392	DF	2.758	0	Anodyne	ref	DFABRO	O=C(c1ccccc1)[C@@]1(OC[C@@H]2CO2)[NH2+]CC[C@@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@H]1c1ccccc1	ZINC000106486345	69/58/56/398695856	QMFCPWCWOBYHCD-WSTZPKSXSA-N	0	323.392	DF	2.758	1	Anodyne	mid	DFABMN	O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@H]1c1ccccc1	ZINC000106486345	69/58/47/398695847	QMFCPWCWOBYHCD-WSTZPKSXSA-N	1	323.392	DF	2.758	0	Anodyne	ref	DFABRO	O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)[NH2+]CC[C@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@@H]1c1ccccc1	ZINC000106486349	69/61/06/398696106	QMFCPWCWOBYHCD-QWFCFKBJSA-N	0	323.392	DF	2.758	1	Anodyne	mid	DFABMN	O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@@H]1c1ccccc1	 
O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)NCC[C@@H]1c1ccccc1	ZINC000106486349	69/61/03/398696103	QMFCPWCWOBYHCD-QWFCFKBJSA-N	1	323.392	DF	2.758	0	Anodyne	ref	DFABRO	O=C(c1ccccc1)[C@@]1(OC[C@H]2CO2)[NH2+]CC[C@@H]1c1ccccc1	 
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O	ZINC000136400268	87/41/29/398874129	IYCDFUCBUZDDIU-GWNPOQPZSA-N	0	316.441	DF	2.706	0	Anodyne	ref	DFABRN	C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O	 
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1[C@H]1C[C@H]1C2=O	ZINC000334163708	11/12/74/337111274	IYCDFUCBUZDDIU-SBOBOJOQSA-N	0	316.441	DF	2.706	0	Anodyne	ref	DFABRN	C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1[C@H]1C[C@H]1C2=O