NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2	ZINC000000027720	52/98/58/425529858	PGCIGBBALXNQRT-BQYQJAHWSA-N	0	316.382	DF	2.971	0	Anodyne	ref	DFAARN	NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2	 
O=C(O)COc1ccc(Br)cc1Br	ZINC000000028413	53/01/72/425530172	LIIAWXHMVYLFGT-UHFFFAOYSA-N	-1	309.941	DF	2.675	0	Anodyne	ref	DFAARM	O=C([O-])COc1ccc(Br)cc1Br	 
COc1ccccc1C(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000035633	52/97/95/425529795	HVUXYWMCRWKQDI-UHFFFAOYSA-N	0	304.371	DF	2.725	0	Anodyne	ref	DFAARN	COc1ccccc1C(=O)Nc1sc(C)c(C)c1C(N)=O	 
Cc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000038408	52/95/96/425529596	XUPWNRFRMKCFQS-UHFFFAOYSA-N	0	318.398	DF	2.79	0	Anodyne	ref	DFAARN	Cc1ccccc1OCC(=O)Nc1sc(C)c(C)c1C(N)=O	 
Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	ZINC000000038409	67/50/72/180675072	LVZIWVBBYSSGRR-UHFFFAOYSA-N	0	318.398	DF	2.79	0	Anodyne	ref	DFAARN	Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	 
Cc1cc(C)n(C(=O)COc2ccc(Br)cc2)n1	ZINC000000038427	53/03/49/425530349	VBJUOYHVGKACGQ-UHFFFAOYSA-N	0	309.163	DF	2.982	0	Anodyne	ref	DFAARN	Cc1cc(C)n(C(=O)COc2ccc(Br)cc2)n1	 
Cc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1	ZINC000000038434	53/02/49/425530249	HOYXVDJVQLHUHW-UHFFFAOYSA-N	0	318.398	DF	2.79	0	Anodyne	ref	DFAARN	Cc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1	 
COc1ccccc1OC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000000038459	52/98/02/425529802	IWXLIYWNMWOLQX-UHFFFAOYSA-N	0	303.27	DF	2.588	0	Bother	ref	DFBARN	COc1ccccc1OC(=O)COc1ccc([N+](=O)[O-])cc1	 
COc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000000038501	53/04/92/425530492	FQJXCAVSIARZOY-UHFFFAOYSA-N	0	316.313	DF	2.929	0	Bother	ref	DFBARN	COc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	 
COc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000000038502	52/94/69/425529469	CRPZQWLSALEFEJ-UHFFFAOYSA-N	0	320.276	DF	2.76	0	Bother	ref	DFBARN	COc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	 
Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1	ZINC000000038518	52/97/62/425529762	OZOITVHSOCKZMF-UHFFFAOYSA-N	0	322.455	DF	2.801	0	Anodyne	ref	DFAARN	Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1	 
CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000000038524	52/95/59/425529559	CHSJTWXTOFPZCE-UHFFFAOYSA-N	0	314.297	DF	2.815	0	Bother	ref	DFBARN	CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	 
O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1	ZINC000000038564	53/01/94/425530194	HULZOGAIIIXOPX-UHFFFAOYSA-N	0	304.346	DF	2.98	0	Bother	ref	DFBARN	O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1	 
Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cccc1[N+](=O)[O-]	ZINC000000038643	97/98/72/300979872	FXXSORVGKIPXPK-WDEREUQCSA-N	-1	306.318	DF	2.733	0	Bother	ref	DFBARM	Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-]	 
Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cccc1[N+](=O)[O-]	ZINC000000038644	97/89/06/300978906	FXXSORVGKIPXPK-GHMZBOCLSA-N	-1	306.318	DF	2.733	0	Bother	ref	DFBARM	Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-]	 
Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cccc1[N+](=O)[O-]	ZINC000000038645	52/99/35/425529935	FXXSORVGKIPXPK-QWRGUYRKSA-N	-1	306.318	DF	2.733	0	Bother	ref	DFBARM	Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-]	 
Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cccc1[N+](=O)[O-]	ZINC000000038646	97/84/53/300978453	FXXSORVGKIPXPK-MNOVXSKESA-N	-1	306.318	DF	2.733	0	Bother	ref	DFBARM	Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-]	 
O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000000038654	67/47/99/180674799	COCPWSROQBFTBZ-ZHACJKMWSA-N	-1	310.309	DF	2.518	0	Anodyne	ref	DFAARM	O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccccc1	 
COc1ccc(OC)c(NC(=O)c2ccccc2C(=O)O)c1	ZINC000000038691	52/98/98/425529898	WVUKSBPGKNMXJS-UHFFFAOYSA-N	-1	301.298	DF	2.654	0	Anodyne	ref	DFAARM	COc1ccc(OC)c(NC(=O)c2ccccc2C(=O)[O-])c1	 
CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2	ZINC000000038735	53/03/18/425530318	HTFAWYXPMMBPLN-UHFFFAOYSA-N	-1	307.293	DF	2.914	3	Anodyne	high	DFAAHM	CCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1CCC2	 
CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2	ZINC000000038735	53/03/16/425530316	HTFAWYXPMMBPLN-UHFFFAOYSA-N	0	307.293	DF	2.914	0	Anodyne	ref	DFAARN	CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2	 
COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1	ZINC000000038764	52/93/77/425529377	LJAVYUYIBHAICS-UHFFFAOYSA-N	0	310.397	DF	2.966	0	Anodyne	ref	DFAARN	COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1	 
CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000000038822	52/98/72/425529872	JKBUXAHJZLIVFL-UHFFFAOYSA-N	0	313.313	DF	2.83	0	Bother	ref	DFBARN	CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	 
CC(=O)N(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000038830	53/01/40/425530140	NNZRDWCPHXWLAC-UHFFFAOYSA-N	0	313.313	DF	2.83	0	Bother	ref	DFBARN	CC(=O)N(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	 
CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000038833	53/21/61/425532161	BCHQFRLUOTUKRZ-UHFFFAOYSA-N	0	313.313	DF	2.83	0	Bother	ref	DFBARN	CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	 
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)O	ZINC000000038841	53/15/67/425531567	XMVPRRHIBCIWLX-UHFFFAOYSA-N	-1	300.27	DF	2.854	0	Bother	ref	DFBARM	Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)[O-]	 
Cc1c(NC(=O)c2ccccc2C(=O)O)cccc1[N+](=O)[O-]	ZINC000000038859	53/16/30/425531630	UEAPULVBSRZXTA-UHFFFAOYSA-N	-1	300.27	DF	2.854	0	Bother	ref	DFBARM	Cc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1[N+](=O)[O-]	 
CC(=O)N(C)c1ccc(NC(=O)COc2ccccc2C)cc1	ZINC000000038864	53/16/20/425531620	LGCOPMGWMYPUTR-UHFFFAOYSA-N	0	312.369	DF	2.995	0	Anodyne	ref	DFAARN	CC(=O)N(C)c1ccc(NC(=O)COc2ccccc2C)cc1	 
COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000000038865	53/16/57/425531657	HNFQMEXZFGNGOQ-UHFFFAOYSA-N	0	304.277	DF	2.924	0	Bother	ref	DFBARN	COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	 
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1	ZINC000000038889	53/10/86/425531086	KZBYGNWOVGRPGO-UHFFFAOYSA-N	0	316.313	DF	2.929	0	Bother	ref	DFBARN	COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1	 
CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O	ZINC000000039133	53/17/09/425531709	FDZUDEZZPLTYAJ-UHFFFAOYSA-N	0	324.72	DF	2.76	0	Bother	ref	DFBARN	CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O	 
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C	ZINC000000039257	53/20/05/425532005	UPPOSAOUNYNRPN-UHFFFAOYSA-N	0	316.313	DF	2.929	0	Bother	ref	DFBARN	COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C	 
COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2	ZINC000000040620	53/21/19/425532119	AUBUTUXRWIGHTD-UHFFFAOYSA-N	-1	307.293	DF	2.914	3	Anodyne	high	DFAAHM	COC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1CCCC2	 
COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2	ZINC000000040620	53/21/14/425532114	AUBUTUXRWIGHTD-UHFFFAOYSA-N	0	307.293	DF	2.914	0	Anodyne	ref	DFAARN	COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2	 
NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2	ZINC000000042567	53/20/86/425532086	MUPKQHJSQBTFOY-UHFFFAOYSA-N	0	314.41	DF	2.907	0	Anodyne	ref	DFAARN	NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2	 
COc1ccc(NS(=O)(=O)Cc2ccccc2)c(OC)c1	ZINC000000047066	53/13/10/425531310	LWEXDVMYDGKJKL-UHFFFAOYSA-N	-1	307.371	DF	2.646	3	Anodyne	high	DFAAHM	COc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(OC)c1	 
COc1ccc(NS(=O)(=O)Cc2ccccc2)c(OC)c1	ZINC000000047066	53/13/05/425531305	LWEXDVMYDGKJKL-UHFFFAOYSA-N	0	307.371	DF	2.646	0	Anodyne	ref	DFAARN	COc1ccc(NS(=O)(=O)Cc2ccccc2)c(OC)c1	 
COc1ccccc1NC(=S)NC(=O)c1ccc(F)cc1	ZINC000000047646	53/15/76/425531576	CKWMNSDOVPQAEL-UHFFFAOYSA-N	0	304.346	DF	2.961	0	Anodyne	ref	DFAARN	COc1ccccc1NC(=S)NC(=O)c1ccc(F)cc1	 
O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl	ZINC000000049466	53/10/56/425531056	AAISMRVATULTLV-UHFFFAOYSA-N	-1	317.197	DF	2.867	3	Anodyne	high	DFAAHM	O=S(=O)([N-]Cc1cccnc1)c1cc(Cl)ccc1Cl	 
O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl	ZINC000000049466	53/10/53/425531053	AAISMRVATULTLV-UHFFFAOYSA-N	0	317.197	DF	2.867	0	Anodyne	ref	DFAARN	O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl	 
O=C(Nc1ccc(I)cc1)C(F)(F)F	ZINC000000054667	01/98/96/280019896	FDWUACCNDXQZBU-UHFFFAOYSA-N	0	315.032	DF	2.792	0	Anodyne	ref	DFAARN	O=C(Nc1ccc(I)cc1)C(F)(F)F	 
Cc1cc(Br)cc(Br)c1OCC(=O)O	ZINC000000054721	53/17/39/425531739	ONPBJJDXODEHDD-UHFFFAOYSA-N	-1	323.968	DF	2.983	0	Anodyne	ref	DFAARM	Cc1cc(Br)cc(Br)c1OCC(=O)[O-]	 
COc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1OC	ZINC000000054730	53/14/61/425531461	HTYDUJRXOVWOKK-UHFFFAOYSA-N	0	312.325	DF	2.836	0	Mild	ref	DFEARN	COc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1OC	in-vitro biogenic
COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	ZINC000000064703	68/19/87/180681987	NTWXCFYTXNRXLO-UHFFFAOYSA-N	0	304.371	DF	2.725	0	Anodyne	ref	DFAARN	COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	 
Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(N)=O)c1C	ZINC000000064914	53/28/06/425532806	JZSNFOYAMGVXJJ-UHFFFAOYSA-N	0	319.342	DF	2.624	0	Bother	ref	DFBARN	Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(N)=O)c1C	 
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000000073959	53/35/71/425533571	MWILADYIHWAIPF-UHFFFAOYSA-N	0	323.374	DF	2.522	2	Anodyne	low	DFAALN	CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	 
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000000073959	53/35/65/425533565	MWILADYIHWAIPF-UHFFFAOYSA-N	-1	323.374	DF	2.522	0	Anodyne	ref	DFAARM	CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	 
O=C(C1CCCCC1)N1CCN(C(=O)C2CCCCC2)CC1	ZINC000000087409	53/40/21/425534021	KVRBRRXJOXQTJR-UHFFFAOYSA-N	0	306.45	DF	2.818	0	Anodyne	ref	DFAARN	O=C(C1CCCCC1)N1CCN(C(=O)C2CCCCC2)CC1	 
O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O	ZINC000000096084	17/73/06/560177306	SYNDQCRDGGCQRZ-VXLYETTFSA-N	-1	322.32	DF	2.721	1	Reactive	mid	DFGAMM	O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1[O-]	in-vitro
O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O	ZINC000000096084	17/73/03/560177303	SYNDQCRDGGCQRZ-VXLYETTFSA-N	0	322.32	DF	2.721	0	Reactive	ref	DFGARN	O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O	in-vitro
COC(=O)CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	ZINC000000125203	53/76/30/425537630	HPUQODUIFVKDEU-UHFFFAOYSA-N	0	311.337	DF	2.809	0	Anodyne	ref	DFAARN	COC(=O)CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	 
O=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000000125353	53/79/09/425537909	XNXAMWFXKSNVMZ-UHFFFAOYSA-N	-1	312.325	DF	2.742	0	Anodyne	ref	DFAARM	O=C([O-])CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1	 
COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1	ZINC000000129850	53/84/55/425538455	RMYSGGBJOJXDCH-NWDGAFQWSA-N	-1	307.346	DF	2.533	0	Anodyne	ref	DFAARM	COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	 
COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1	ZINC000000129852	70/28/30/180702830	RMYSGGBJOJXDCH-VXGBXAGGSA-N	-1	307.346	DF	2.533	0	Anodyne	ref	DFAARM	COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	 
COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1	ZINC000000129854	53/95/87/425539587	RMYSGGBJOJXDCH-RYUDHWBXSA-N	-1	307.346	DF	2.533	0	Anodyne	ref	DFAARM	COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	 
COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1	ZINC000000129856	53/85/58/425538558	RMYSGGBJOJXDCH-NEPJUHHUSA-N	-1	307.346	DF	2.533	0	Anodyne	ref	DFAARM	COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	 
CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1C	ZINC000000134068	53/92/63/425539263	SNCOIASUCJGGBI-UHFFFAOYSA-N	-1	306.265	DF	2.606	3	Mild	high	DFEAHM	CCOC(=O)c1sc([N-]C(=O)C(F)(F)F)c(C#N)c1C	 
CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1C	ZINC000000134068	53/92/53/425539253	SNCOIASUCJGGBI-UHFFFAOYSA-N	0	306.265	DF	2.606	0	Mild	ref	DFEARN	CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1C	 
O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1	ZINC000000136401	53/88/80/425538880	NRTVVWXITIPWIQ-UHFFFAOYSA-N	-1	318.373	DF	2.506	0	Anodyne	ref	DFAARM	O=C([O-])CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1	 
COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC	ZINC000000142142	53/89/57/425538957	YPTWMTJCWNQSNF-UHFFFAOYSA-N	0	313.353	DF	2.915	0	Anodyne	ref	DFAARN	COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC	 
COc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	ZINC000000142287	70/67/80/180706780	QGXRWFRDVQDQFU-UHFFFAOYSA-N	0	318.398	DF	2.654	0	Anodyne	ref	DFAARN	COc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	 
COc1ccccc1OCC(=O)Nc1ccc(NC(C)=O)cc1	ZINC000000142302	70/66/19/180706619	SHXXRRYPOMMRNP-UHFFFAOYSA-N	0	314.341	DF	2.671	0	Anodyne	ref	DFAARN	COc1ccccc1OCC(=O)Nc1ccc(NC(C)=O)cc1	 
COc1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000000142436	70/64/85/180706485	CVSJQNICQURCKI-UHFFFAOYSA-N	0	318.325	DF	2.94	0	Anodyne	ref	DFAARN	COc1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	 
CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)c(N)c2)cc1N	ZINC000000142516	70/66/26/180706626	BXSFBWMUDQFSEB-UHFFFAOYSA-N	0	314.345	DF	2.56	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)c(N)c2)cc1N	 
N#Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000000142605	53/93/03/425539303	DZLQDPCWZMOVCV-UHFFFAOYSA-N	0	318.336	DF	2.787	0	Mild	ref	DFEARN	N#Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1	ZINC000000143120	70/64/51/180706451	DRHLUFDEXCRIKI-LBPRGKRZSA-N	0	318.398	DF	2.685	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1	ZINC000000143122	53/99/44/425539944	DRHLUFDEXCRIKI-GFCCVEGCSA-N	0	318.398	DF	2.685	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1	 
Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)c1	ZINC000000143126	54/07/72/425540772	ZAIWODDPZQMAOX-UHFFFAOYSA-N	0	322.408	DF	2.902	0	Anodyne	ref	DFAARN	Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)CC2)c1	 
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	ZINC000000143421	70/65/48/180706548	ZJHJSWBVYKGRFH-UHFFFAOYSA-N	0	322.386	DF	2.562	0	Anodyne	ref	DFAARN	CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	 
CC(=O)N(C)c1ccc(NC(=O)COc2cccc(C)c2)cc1	ZINC000000143619	70/73/58/180707358	YGZFHWCPLGDDAZ-UHFFFAOYSA-N	0	312.369	DF	2.995	0	Anodyne	ref	DFAARN	CC(=O)N(C)c1ccc(NC(=O)COc2cccc(C)c2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	ZINC000000155291	71/11/55/180711155	CIVFAFJCAZEMRB-UHFFFAOYSA-N	0	310.419	DF	2.598	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	 
O=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21	ZINC000000178852	54/16/91/425541691	NWLZWCDHNDVKHE-UHFFFAOYSA-N	0	320.392	DF	2.945	0	Anodyne	ref	DFAARN	O=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21	 
NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	ZINC000000184083	54/40/73/425544073	JYPYSIBNVGGJSQ-UHFFFAOYSA-N	0	319.158	DF	2.8	0	Anodyne	ref	DFAARN	NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	 
COC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1	ZINC000000194581	72/18/85/180721885	OGTRRGBNCYYQRX-UHFFFAOYSA-N	0	320.395	DF	2.662	0	Anodyne	ref	DFAARN	COC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1	 
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000000207090	54/46/72/425544672	DTBBSVOROIZTHP-UHFFFAOYSA-N	0	318.398	DF	2.86	0	Anodyne	ref	DFAARN	CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	ZINC000000238794	54/86/36/425548636	PPBFHDWNOYRJBV-UHFFFAOYSA-N	-1	308.334	DF	2.585	3	Anodyne	high	DFAAHM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	ZINC000000238794	54/86/30/425548630	PPBFHDWNOYRJBV-UHFFFAOYSA-N	0	308.334	DF	2.585	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	 
CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000000246601	54/77/52/425547752	LBWPBVUDLLTCPL-UHFFFAOYSA-N	0	310.419	DF	2.6	0	Anodyne	ref	DFAARN	CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	 
CC(C)C(=O)NC(=S)Nc1ccc(Br)cc1	ZINC000000309703	68/65/96/278686596	DDSNNXSSENUKOK-UHFFFAOYSA-N	0	301.209	DF	2.918	0	Anodyne	ref	DFAARN	CC(C)C(=O)NC(=S)Nc1ccc(Br)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	ZINC000000340289	55/42/31/425554231	QDIIFQYRCJCOKH-UHFFFAOYSA-N	-1	304.371	DF	2.754	3	Anodyne	high	DFAAHM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	ZINC000000340289	55/42/26/425554226	QDIIFQYRCJCOKH-UHFFFAOYSA-N	0	304.371	DF	2.754	0	Anodyne	ref	DFAARN	CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	 
COC(=O)CCC(=O)Nc1ccc(Br)c(Cl)c1	ZINC000000356363	55/63/27/425556327	LLFGTLMZIBRHTB-UHFFFAOYSA-N	0	320.57	DF	2.994	0	Anodyne	ref	DFAARN	COC(=O)CCC(=O)Nc1ccc(Br)c(Cl)c1	 
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	ZINC000000357503	55/54/42/425555442	VCTNXJVPWJUFPU-UHFFFAOYSA-N	-1	322.361	DF	2.975	3	Anodyne	high	DFAAHM	CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	 
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	ZINC000000357503	55/54/36/425555436	VCTNXJVPWJUFPU-UHFFFAOYSA-N	0	322.361	DF	2.975	0	Anodyne	ref	DFAARN	CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	 
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000000357508	55/52/65/425555265	IDQRNFDSQQCXGH-UHFFFAOYSA-N	0	324.446	DF	2.99	0	Anodyne	ref	DFAARN	CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	 
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000357620	55/54/75/425555475	QATAQAYBPJZOBS-UHFFFAOYSA-N	0	310.419	DF	2.6	0	Anodyne	ref	DFAARN	CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000000357622	55/54/04/425555404	BWKXAGKBHPXALU-UHFFFAOYSA-N	0	324.446	DF	2.846	0	Anodyne	ref	DFAARN	CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	 
COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1	ZINC000000357749	55/56/25/425555625	MTZKRROOLBJSNC-UHFFFAOYSA-N	0	314.366	DF	2.6	0	Anodyne	ref	DFAARN	COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1	 
COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2)c1	ZINC000000358085	76/58/47/180765847	RQLQKROEEJIYGG-UHFFFAOYSA-N	0	316.382	DF	2.831	0	Anodyne	ref	DFAARN	COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2)c1	 
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	ZINC000000358092	62/04/88/263620488	FWEAJWYURUCLCU-UDWIEESQSA-N	0	320.352	DF	2.671	0	Reactive	ref	DFGARN	CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	 
C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000000358335	55/58/33/425555833	UFSUMQWYXIRIBZ-LDADJPATSA-N	0	310.313	DF	2.517	0	Mild	ref	DFEARN	C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc([N+](=O)[O-])cc1	 
Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1	ZINC000000358376	55/53/97/425555397	WAUSVGFFPOSXDG-LZYBPNLTSA-N	0	305.721	DF	2.909	0	Mild	ref	DFEARN	Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1	 
N#Cc1cccc(NC(=O)CCC(=O)Nc2cccc(C#N)c2)c1	ZINC000000358388	76/56/15/180765615	QIBSBSWIECZUNA-UHFFFAOYSA-N	0	318.336	DF	2.787	0	Mild	ref	DFEARN	N#Cc1cccc(NC(=O)CCC(=O)Nc2cccc(C#N)c2)c1	 
Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1	ZINC000000358641	55/60/65/425556065	PRLTVHJBXLOMMQ-UHFFFAOYSA-N	0	300.383	DF	2.887	0	Anodyne	ref	DFAARN	Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1	 
COc1ccccc1OCC(=O)Oc1ccccc1[N+](=O)[O-]	ZINC000000358734	76/59/70/180765970	YKZXQVSUXWQTDA-UHFFFAOYSA-N	0	303.27	DF	2.588	0	Bother	ref	DFBARN	COc1ccccc1OCC(=O)Oc1ccccc1[N+](=O)[O-]	 
CC(C)(C)c1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1	ZINC000000358808	55/55/82/425555582	QQVGYWIEVRESSY-CQSZACIVSA-N	0	320.458	DF	2.767	0	Anodyne	ref	DFAARN	CC(C)(C)c1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1	 
CC(C)(C)c1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1	ZINC000000358809	76/57/13/180765713	QQVGYWIEVRESSY-AWEZNQCLSA-N	0	320.458	DF	2.767	0	Anodyne	ref	DFAARN	CC(C)(C)c1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1	 
O=C(COc1ccccc1)NC(=S)N1CCc2ccccc21	ZINC000000358864	55/63/08/425556308	LWJFMESFTFRMBE-UHFFFAOYSA-N	0	312.394	DF	2.529	0	Anodyne	ref	DFAARN	O=C(COc1ccccc1)NC(=S)N1CCc2ccccc21	aggregator
CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1	ZINC000000358936	55/59/75/425555975	FVGNKQKXLIEAEC-UHFFFAOYSA-N	0	310.419	DF	2.646	0	Anodyne	ref	DFAARN	CCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1	 
O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1	ZINC000000358939	55/53/41/425555341	VNBMFKQRHPPCHA-UHFFFAOYSA-N	0	322.43	DF	2.646	0	Anodyne	ref	DFAARN	O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1