Oc1ccc(Cl)cc1C1=NCCNC(C(F)(F)C(F)F)=C1	ZINC000000060986	11/60/71/431116071	CBYGBGCKLKLNBW-UHFFFAOYSA-N	-1	322.689	DG	3.222	3	Anodyne	high	DGAAHM	[O-]c1ccc(Cl)cc1C1=CC(C(F)(F)C(F)F)=NCCN1	 
Oc1ccc(Cl)cc1C1=NCCNC(C(F)(F)C(F)F)=C1	ZINC000000060986	11/60/66/431116066	CBYGBGCKLKLNBW-UHFFFAOYSA-N	1	322.689	DG	3.222	2	Anodyne	low	DGAALO	Oc1ccc(Cl)cc1C1=CC(C(F)(F)C(F)F)=[NH+]CCN1	 
Oc1ccc(Cl)cc1C1=NCCNC(C(F)(F)C(F)F)=C1	ZINC000000060986	11/60/53/431116053	CBYGBGCKLKLNBW-UHFFFAOYSA-N	0	322.689	DG	3.222	0	Anodyne	ref	DGAARN	Oc1ccc(Cl)cc1C1=CC(C(F)(F)C(F)F)=NCCN1	 
O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc(F)cc1	ZINC000000203012	14/50/33/431145033	FWIQVBCMXHWGTN-ZDUSSCGKSA-N	-1	301.317	DG	3.098	0	Anodyne	ref	DGAARM	O=C(C[C@H](Cc1ccccc1)C(=O)[O-])Nc1ccc(F)cc1	 
O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc(F)cc1	ZINC000000203014	72/43/46/180724346	FWIQVBCMXHWGTN-CYBMUJFWSA-N	-1	301.317	DG	3.098	0	Anodyne	ref	DGAARM	O=C(C[C@@H](Cc1ccccc1)C(=O)[O-])Nc1ccc(F)cc1	 
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	ZINC000000310504	04/40/24/304044024	CPQWYQYYKHMQNJ-MRXNPFEDSA-N	-1	309.321	DG	3.061	0	Anodyne	ref	DGAARM	O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	aggregator
CC(C)(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1	ZINC000004418451	55/76/89/278557689	BFNBCRSPGLMNEH-UHFFFAOYSA-N	-1	319.308	DG	3.343	0	Anodyne	ref	DGABRM	CC(C)(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)[O-])cs2)n1	 
CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1	ZINC000005242830	22/03/00/181220300	WUTQEWPQISPRGG-UHFFFAOYSA-N	-1	305.281	DG	3.169	0	Anodyne	ref	DGAARM	CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)[O-])cs2)n1	 
CC(C)Cc1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1	ZINC000005242838	22/02/90/181220290	SEPHDAXLWMKQLR-UHFFFAOYSA-N	-1	319.308	DG	3.244	0	Anodyne	ref	DGABRM	CC(C)Cc1cc(C(F)(F)F)n(-c2nc(C(=O)[O-])cs2)n1	 
CN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1c[nH]c2ccccc12	ZINC000006625890	31/83/55/431318355	TWIWRVMEFCKOAR-DLBZAZTESA-N	-1	320.348	DG	3.163	0	Anodyne	ref	DGABRM	CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1c[nH]c2ccccc12	 
O=C(O)c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2	ZINC000008773585	41/20/02/431412002	FOKWRONEBQFTDW-UHFFFAOYSA-N	-1	319.719	DG	3.333	0	Anodyne	ref	DGAARM	O=C([O-])c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2	in-vitro
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1	ZINC000019798197	04/40/47/304044047	CPQWYQYYKHMQNJ-INIZCTEOSA-N	-1	309.321	DG	3.061	0	Anodyne	ref	DGAARM	O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1	aggregator
CC1=NCCNC2=C1[C@@H](c1ccccc1)N(c1ccccc1)C2=O	ZINC000020314965	62/26/21/431622621	XLBWYQGOZVJVLI-LJQANCHMSA-N	0	317.392	DG	3.093	3	Anodyne	high	DGABHN	CC1=NCCNC2=C1[C@@H](c1ccccc1)N(c1ccccc1)C2=O	 
CC1=NCCNC2=C1[C@@H](c1ccccc1)N(c1ccccc1)C2=O	ZINC000020314965	62/26/14/431622614	XLBWYQGOZVJVLI-LJQANCHMSA-N	1	317.392	DG	3.093	0	Anodyne	ref	DGABRO	CC1=[NH+]CCNC2=C1[C@@H](c1ccccc1)N(c1ccccc1)C2=O	 
CC1=NCCNC2=C1[C@H](c1ccccc1)N(c1ccccc1)C2=O	ZINC000020314970	62/23/08/431622308	XLBWYQGOZVJVLI-IBGZPJMESA-N	0	317.392	DG	3.093	3	Anodyne	high	DGABHN	CC1=NCCNC2=C1[C@H](c1ccccc1)N(c1ccccc1)C2=O	 
CC1=NCCNC2=C1[C@H](c1ccccc1)N(c1ccccc1)C2=O	ZINC000020314970	62/22/87/431622287	XLBWYQGOZVJVLI-IBGZPJMESA-N	1	317.392	DG	3.093	0	Anodyne	ref	DGABRO	CC1=[NH+]CCNC2=C1[C@H](c1ccccc1)N(c1ccccc1)C2=O	 
CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1	ZINC000020315010	20/58/80/182205880	UMXRCRKTCZAVQC-HHNLSAEISA-N	0	319.36	DG	3.294	1	Mild	mid	DGEBMN	CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	 
CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1	ZINC000020315010	20/58/77/182205877	UMXRCRKTCZAVQC-HHNLSAEISA-N	0	319.36	DG	3.294	0	Mild	ref	DGEBRN	CN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	 
CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1	ZINC000020315015	20/58/29/182205829	UMXRCRKTCZAVQC-QFQMRYFISA-N	0	319.36	DG	3.294	1	Mild	mid	DGEBMN	CN1C(=O)C(=O)C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	 
CN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1	ZINC000020315015	20/58/27/182205827	UMXRCRKTCZAVQC-QFQMRYFISA-N	0	319.36	DG	3.294	0	Mild	ref	DGEBRN	CN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	 
Cc1ccc([C@@H](NCCc2c[nH]c3ccccc23)C(=O)O)cc1	ZINC000022130265	30/99/57/182309957	YOWRYOQBONJGQW-GOSISDBHSA-N	0	308.381	DG	3.434	0	Anodyne	ref	DGABRN	Cc1ccc([C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)[O-])cc1	 
Cc1ccc([C@H](NCCc2c[nH]c3ccccc23)C(=O)O)cc1	ZINC000022130266	30/96/88/182309688	YOWRYOQBONJGQW-SFHVURJKSA-N	0	308.381	DG	3.434	0	Anodyne	ref	DGABRN	Cc1ccc([C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)[O-])cc1	 
COc1ccc(Cn2c(-c3ccccc3)cnc2N)cc1OC	ZINC000022130293	31/00/21/182310021	BJQFTKCDNAXTDR-UHFFFAOYSA-N	0	309.369	DG	3.198	3	Anodyne	high	DGABHN	COc1ccc(Cn2c(-c3ccccc3)cnc2N)cc1OC	 
COc1ccc(Cn2c(-c3ccccc3)cnc2N)cc1OC	ZINC000022130293	31/00/20/182310020	BJQFTKCDNAXTDR-UHFFFAOYSA-N	1	309.369	DG	3.198	0	Anodyne	ref	DGABRO	COc1ccc(Cn2c(-c3ccccc3)c[nH+]c2N)cc1OC	 
O=C(Nc1ccccc1)/C(Br)=N\Nc1ccccc1	ZINC000022130354	30/98/21/182309821	MTHCRCVCWKUMSJ-QGOAFFKASA-N	0	318.174	DG	3.446	0	Mild	ref	DGEBRN	O=C(Nc1ccccc1)C(Br)=NNc1ccccc1	 
N#C[C@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1	ZINC000022130359	31/00/28/182310028	XBAMGOPCVTZYJS-CQSZACIVSA-N	0	301.415	DG	3.015	0	Mild	ref	DGEBRN	N#C[C@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1	 
N#C[C@@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1	ZINC000022130360	31/01/15/182310115	XBAMGOPCVTZYJS-AWEZNQCLSA-N	0	301.415	DG	3.015	0	Mild	ref	DGEBRN	N#C[C@@H](C(=O)NC1CCCCC1)C(=S)Nc1ccccc1	 
O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1	ZINC000033373282	21/94/87/304219487	SLOGCUFSAYLPMQ-UHFFFAOYSA-N	-1	309.281	DG	3.146	0	Bother	ref	DGBBRM	O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1	 
CC(=O)N(CC(=S)NC1CCCCC1)Cc1ccccc1	ZINC000033373308	81/20/84/431812084	JMXFUMQGVZXEGR-UHFFFAOYSA-N	0	304.459	DG	3.285	0	Anodyne	ref	DGABRN	CC(=O)N(CC(=S)NC1CCCCC1)Cc1ccccc1	 
CC(=O)N(CC(=S)NCc1ccccc1)Cc1ccccc1	ZINC000033373310	81/22/28/431812228	RFAPDNXHKSPVFQ-UHFFFAOYSA-N	0	312.438	DG	3.152	0	Anodyne	ref	DGABRN	CC(=O)N(CC(=S)NCc1ccccc1)Cc1ccccc1	 
O=C(O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000033413888	81/18/05/431811805	OKFLMULEFDZLKG-FUHWJXTLSA-N	-1	309.365	DG	3.251	0	Anodyne	ref	DGAARM	O=C([O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1	 
O=C(O)[C@H]1CCC(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1	ZINC000033413895	17/62/00/304176200	PZKWKGROWQRNQX-PKOBYXMFSA-N	-1	323.392	DG	3.294	0	Anodyne	ref	DGABRM	O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1	 
COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C	ZINC000049952260	94/52/42/431945242	SRHXBSJTLUSGKP-CMDGGOBGSA-N	1	306.749	DG	3.314	2	Anodyne	low	DGAALO	COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/[NH+](C)C	 
COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C	ZINC000049952260	94/52/39/431945239	SRHXBSJTLUSGKP-CMDGGOBGSA-N	0	306.749	DG	3.314	0	Anodyne	ref	DGAARN	COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C	 
COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/N(C)C	ZINC000050914220	94/94/53/431949453	GQJJMEASJGFUAS-BQYQJAHWSA-N	1	324.739	DG	3.453	2	Anodyne	low	DGAALO	COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/[NH+](C)C	 
COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/N(C)C	ZINC000050914220	94/94/46/431949446	GQJJMEASJGFUAS-BQYQJAHWSA-N	0	324.739	DG	3.453	0	Anodyne	ref	DGAARN	COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/N(C)C	 
CCOC(=O)c1nnsc1-c1conc1-c1ccccc1F	ZINC000096319539	94/49/25/431944925	VLMWQGFYIUYEEK-UHFFFAOYSA-N	0	319.317	DG	3.176	0	Anodyne	ref	DGAARN	CCOC(=O)c1nnsc1-c1conc1-c1ccccc1F	 
COc1ccc(/C=C/C(=O)CC(=O)C(F)(F)C(F)F)cc1	ZINC000100316287	98/16/33/431981633	FYOFWYVPPVPZQV-GORDUTHDSA-N	-1	304.239	DG	3.137	3	Mild	high	DGEBHM	COc1ccc(C=CC([O-])=CC(=O)C(F)(F)C(F)F)cc1	 
COc1ccc(/C=C/C(=O)CC(=O)C(F)(F)C(F)F)cc1	ZINC000100316287	98/16/31/431981631	FYOFWYVPPVPZQV-GORDUTHDSA-N	0	304.239	DG	3.137	1	Mild	mid	DGEBMN	COc1ccc(C=CC(=O)CC(=O)C(F)(F)C(F)F)cc1	 
COc1ccc(/C=C/C(=O)CC(=O)C(F)(F)C(F)F)cc1	ZINC000100316287	98/16/28/431981628	FYOFWYVPPVPZQV-GORDUTHDSA-N	0	304.239	DG	3.137	0	Mild	ref	DGEBRN	COc1ccc(C=CC(O)=CC(=O)C(F)(F)C(F)F)cc1