NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1	ZINC000000035573	61/53/07/406615307	UQJZPTYNTDUMON-UHFFFAOYSA-N	0	304.371	DD	1.905	0	Anodyne	ref	DDAARN	NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1	 
COc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000035618	61/64/07/406616407	SVVKJYWVAGNOEJ-UHFFFAOYSA-N	0	306.343	DD	1.595	0	Anodyne	ref	DDAARN	COc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	 
Cc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000038367	61/55/07/406615507	FEKTZPSVQNGSAU-UHFFFAOYSA-N	0	320.37	DD	1.66	0	Anodyne	ref	DDAARN	Cc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	 
NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000038705	61/53/64/406615364	BZHGNPUJSLSEPC-UHFFFAOYSA-N	0	321.314	DD	1.495	0	Bother	ref	DDBARN	NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	 
COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000000038710	61/55/66/406615566	YDSSOOIPPDUIDZ-UHFFFAOYSA-N	0	310.375	DD	1.617	0	Anodyne	ref	DDAARN	COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	 
Cc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000000038876	67/46/38/180674638	KFYVMTAZHCBHDC-UHFFFAOYSA-N	0	320.37	DD	1.66	0	Anodyne	ref	DDAARN	Cc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	 
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000000043187	61/64/92/406616492	YAVDRNUBULTYQF-UHFFFAOYSA-N	0	306.343	DD	1.595	0	Anodyne	ref	DDAARN	COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000000052440	61/65/16/406616516	LJKAKWDUZRJNPJ-UHFFFAOYSA-N	0	320.374	DD	1.853	1	Anodyne	mid	DDAAMN	CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000000052440	61/65/09/406616509	LJKAKWDUZRJNPJ-UHFFFAOYSA-N	-1	320.374	DD	1.853	0	Anodyne	ref	DDAARM	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	in-vitro
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1	ZINC000000063351	61/88/86/406618886	ZZLDIQDMSVMAQS-UHFFFAOYSA-N	0	301.39	DD	1.333	1	Anodyne	mid	DDAAMN	Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1	 
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1	ZINC000000063351	61/88/80/406618880	ZZLDIQDMSVMAQS-UHFFFAOYSA-N	1	301.39	DD	1.333	0	Anodyne	ref	DDAARO	Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	 
COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCC2	ZINC000000084410	62/11/96/406621196	PHSWQJBAHRHEHZ-VOTSOKGWSA-N	-1	309.343	DD	1.993	0	Anodyne	ref	DDAARM	COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2	 
Cc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1	ZINC000000106351	62/01/82/406620182	UFANFHFMZRXJNI-RMKNXTFCSA-N	0	306.343	DD	1.887	0	Anodyne	ref	DDAARN	Cc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1	 
NS(=O)(=O)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1	ZINC000000131023	62/35/44/406623544	ZUENOJOAYVXVRP-OQLLNIDSSA-N	0	305.315	DD	1.993	0	Mild	ref	DDEARN	NS(=O)(=O)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1	 
COc1ccc(C(=O)N2CCOCC2)cc1Br	ZINC000000142052	62/59/91/406625991	LCGVOPIZAXVBPQ-UHFFFAOYSA-N	0	300.152	DD	1.93	0	Anodyne	ref	DDAARN	COc1ccc(C(=O)N2CCOCC2)cc1Br	 
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1	ZINC000000142529	62/53/81/406625381	TTYJOBADLQWJEF-UHFFFAOYSA-N	0	310.375	DD	1.056	0	Anodyne	ref	DDAARN	O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1	 
Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2	ZINC000000155803	62/68/02/406626802	WZUVPPKBWHMQCE-CZUORRHYSA-N	0	302.282	DD	1.32	0	Clean	ref	DDCARN	Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2	in-vitro biogenic
Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2	ZINC000000155804	59/22/23/296592223	WZUVPPKBWHMQCE-CJNGLKHVSA-N	0	302.282	DD	1.32	0	Clean	ref	DDCARN	Oc1cc2c(cc1O)[C@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2	in-vitro biogenic
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2	ZINC000000155806	45/29/96/280452996	WZUVPPKBWHMQCE-XJKSGUPXSA-N	0	302.282	DD	1.32	0	Clean	ref	DDCARN	Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2	in-vitro biogenic
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2	ZINC000000155807	62/73/18/406627318	WZUVPPKBWHMQCE-BBRMVZONSA-N	0	302.282	DD	1.32	0	Clean	ref	DDCARN	Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@@]1(O)C2	in-vitro biogenic
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1	ZINC000000156389	62/51/79/406625179	RLKHFSNWQCZBDC-UHFFFAOYSA-N	0	315.347	DD	1.951	0	Anodyne	ref	DDAARN	O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1	 
CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1	ZINC000000182998	62/84/43/406628443	HDTTZGYLHRXEKT-UHFFFAOYSA-N	0	305.359	DD	1.519	0	Anodyne	ref	DDAARN	CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1	 
Cc1cc(Br)ccc1OCC(=O)N1CCOCC1	ZINC000000259576	63/64/93/406636493	KQTMGFSYTRVOCR-UHFFFAOYSA-N	0	314.179	DD	1.995	0	Anodyne	ref	DDAARN	Cc1cc(Br)ccc1OCC(=O)N1CCOCC1	 
O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	ZINC000000284622	63/69/97/406636997	BALIVYAZKSHEMY-UHFFFAOYSA-N	-1	311.253	DD	1.536	0	Bother	ref	DDBARM	O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	 
NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000289245	63/77/33/406637733	PQNDLWXQARXOJR-UHFFFAOYSA-N	0	321.314	DD	1.495	2	Bother	low	DDBALN	NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	 
NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000289245	63/77/22/406637722	PQNDLWXQARXOJR-UHFFFAOYSA-N	-1	321.314	DD	1.495	0	Bother	ref	DDBARM	NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	 
O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000313657	63/89/87/406638987	IXCLSMGDZDOYEU-BQYQJAHWSA-N	-1	324.358	DD	1.05	0	Anodyne	ref	DDAARM	O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
Cc1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O	ZINC000000344664	64/32/43/406643243	ZQMVJFORLRMPNB-UHFFFAOYSA-N	0	310.309	DD	1.701	0	Anodyne	ref	DDAARN	Cc1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O	 
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F	ZINC000000357495	64/31/61/406643161	NQTNMOAJGQXBRO-UHFFFAOYSA-N	0	322.308	DD	1.972	0	Anodyne	ref	DDAARN	O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F	 
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000357512	64/16/43/406641643	SZNMBZTVGLKOCT-UHFFFAOYSA-N	0	312.391	DD	1.446	0	Anodyne	ref	DDAARN	CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000358141	64/33/05/406643305	WYXJIZQQZBKFTN-UHFFFAOYSA-N	0	303.347	DD	1.286	0	Mild	ref	DDEARN	N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCC2)cc1	 
CCN(CC)S(=O)(=O)c1ccc(NN=C(C#N)C#N)cc1	ZINC000000358155	76/60/94/180766094	LVEFECNYMPBHFS-UHFFFAOYSA-N	0	305.363	DD	1.532	0	Mild	ref	DDEARN	CCN(CC)S(=O)(=O)c1ccc(NN=C(C#N)C#N)cc1	 
N#C/C(=N/Nc1ccc(I)cc1)C(N)=O	ZINC000000358166	76/57/81/180765781	JUWCIAUBUJGMPL-ZSOIEALJSA-N	0	314.086	DD	1.068	0	Mild	ref	DDEARN	N#CC(=NNc1ccc(I)cc1)C(N)=O	 
NC(=S)NC(=O)COc1ccc(Br)cc1Cl	ZINC000000359131	64/26/28/406642628	MGCXETULVPTQNE-UHFFFAOYSA-N	0	323.599	DD	1.841	0	Anodyne	ref	DDAARN	NC(=S)NC(=O)COc1ccc(Br)cc1Cl	 
CCc1ccc(OCC(=O)NC(N)=S)c(Br)c1	ZINC000000359133	46/17/22/331461722	FFJNGYFFLHMMHU-UHFFFAOYSA-N	0	317.208	DD	1.75	0	Anodyne	ref	DDAARN	CCc1ccc(OCC(=O)NC(N)=S)c(Br)c1	 
CC(C)CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	ZINC000000465519	65/02/08/406650208	QHXOOVYZLGCDMO-UHFFFAOYSA-N	0	315.42	DD	1.193	0	Anodyne	ref	DDAARN	CC(C)CC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	 
CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2C)CC1	ZINC000000467122	64/96/62/406649662	HCOQAYOVLSAFHZ-UHFFFAOYSA-N	0	320.389	DD	1.983	0	Anodyne	ref	DDAARN	CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2C)CC1	 
NC(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1	ZINC000000502839	65/33/16/406653316	NFKZYWHUPIFVRZ-UHFFFAOYSA-N	0	313.382	DD	1.841	0	Anodyne	ref	DDAARN	NC(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1	 
Cc1ccc(C)c(OCC(=O)NC(=S)N2CCOCC2)c1	ZINC000000508665	65/38/48/406653848	JAISNEYBNYSTHC-UHFFFAOYSA-N	0	308.403	DD	1.416	0	Anodyne	ref	DDAARN	Cc1ccc(C)c(OCC(=O)NC(=S)N2CCOCC2)c1	 
COc1ccc(/C=C/C(=O)NC(=S)NC[C@H]2CCCO2)cc1	ZINC000000508677	46/34/76/331463476	GDZFYLJPBLDKOU-VIIAAUOXSA-N	0	320.414	DD	1.878	0	Anodyne	ref	DDAARN	COc1ccc(C=CC(=O)NC(=S)NC[C@H]2CCCO2)cc1	 
COc1ccc(/C=C/C(=O)NC(=S)NC[C@@H]2CCCO2)cc1	ZINC000000508679	46/34/45/331463445	GDZFYLJPBLDKOU-MRZGDXHCSA-N	0	320.414	DD	1.878	0	Anodyne	ref	DDAARN	COc1ccc(C=CC(=O)NC(=S)NC[C@@H]2CCCO2)cc1	 
COc1ccccc1/C=C/C(=O)NC(=S)NC[C@H]1CCCO1	ZINC000000516546	65/29/46/406652946	AEIKPCUHXPYZKF-MMQHEFTJSA-N	0	320.414	DD	1.878	0	Anodyne	ref	DDAARN	COc1ccccc1C=CC(=O)NC(=S)NC[C@H]1CCCO1	 
COc1ccccc1/C=C/C(=O)NC(=S)NC[C@@H]1CCCO1	ZINC000000516548	65/35/23/406653523	AEIKPCUHXPYZKF-XEHSLEBBSA-N	0	320.414	DD	1.878	0	Anodyne	ref	DDAARN	COc1ccccc1C=CC(=O)NC(=S)NC[C@@H]1CCCO1	 
N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000522807	65/33/56/406653356	QQNMHBOUINCTIU-UHFFFAOYSA-N	0	317.374	DD	1.676	0	Mild	ref	DDEARN	N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000000556135	65/73/42/406657342	VEBKOQPJZNIZEL-UHFFFAOYSA-N	0	315.42	DD	1.16	0	Anodyne	ref	DDAARN	CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1	 
CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000556152	82/08/75/180820875	GQXHITYRCGIMGV-NWDGAFQWSA-N	-1	312.366	DD	1.178	0	Anodyne	ref	DDAARM	CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1	ZINC000000556153	81/64/66/285816466	GQXHITYRCGIMGV-VXGBXAGGSA-N	-1	312.366	DD	1.178	0	Anodyne	ref	DDAARM	CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1	 
CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000556154	65/65/07/406656507	GQXHITYRCGIMGV-RYUDHWBXSA-N	-1	312.366	DD	1.178	0	Anodyne	ref	DDAARM	CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1	ZINC000000556155	65/66/12/406656612	GQXHITYRCGIMGV-NEPJUHHUSA-N	-1	312.366	DD	1.178	0	Anodyne	ref	DDAARM	CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1	 
COc1ccccc1/C=C/C(=O)NC(=S)N1CCOCC1	ZINC000000586947	65/53/07/406655307	BEIMWUWCAKWCPF-VOTSOKGWSA-N	0	306.387	DD	1.442	0	Anodyne	ref	DDAARN	COc1ccccc1C=CC(=O)NC(=S)N1CCOCC1	 
O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-]	ZINC000000587244	65/63/32/406656332	RZGKXZZYSXABRY-SECBINFHSA-N	0	309.347	DD	1.378	0	Bother	ref	DDBARN	O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-]	 
O=C(NC(=S)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-]	ZINC000000587245	65/52/60/406655260	RZGKXZZYSXABRY-VIFPVBQESA-N	0	309.347	DD	1.378	0	Bother	ref	DDBARN	O=C(NC(=S)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-]	 
CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000815637	65/96/81/406659681	BXPJSNASXPDKEG-GFCCVEGCSA-N	0	312.391	DD	1.492	0	Anodyne	ref	DDAARN	CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	 
CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000815638	83/44/82/180834482	BXPJSNASXPDKEG-LBPRGKRZSA-N	0	312.391	DD	1.492	0	Anodyne	ref	DDAARN	CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	 
CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1	ZINC000000828195	66/03/75/406660375	WLCCMIXFDNOMON-UHFFFAOYSA-N	0	306.362	DD	1.675	0	Anodyne	ref	DDAARN	CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1	 
O=C(NC(=S)NCc1ccco1)c1ccccc1[N+](=O)[O-]	ZINC000001050992	84/29/33/180842933	HAABSGLAEJSTLD-UHFFFAOYSA-N	0	305.315	DD	1.992	0	Bother	ref	DDBARN	O=C(NC(=S)NCc1ccco1)c1ccccc1[N+](=O)[O-]	 
CC[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1	ZINC000001236628	66/65/81/406666581	TYXMNZHESBVJJD-XEHSLEBBSA-N	0	317.414	DD	1.311	0	Anodyne	ref	DDAARN	CC[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1	 
CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1	ZINC000001236630	66/68/20/406666820	TYXMNZHESBVJJD-MMQHEFTJSA-N	0	317.414	DD	1.311	0	Anodyne	ref	DDAARN	CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1ccccc1	 
CC[C@H]1C(=O)NCCN1C(=O)c1ccc(Br)o1	ZINC000001236636	85/08/76/180850876	VENUHWNWSDJZJV-ZETCQYMHSA-N	0	301.14	DD	1.393	0	Anodyne	ref	DDAARN	CC[C@H]1C(=O)NCCN1C(=O)c1ccc(Br)o1	 
CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)o1	ZINC000001236637	66/65/61/406666561	VENUHWNWSDJZJV-SSDOTTSWSA-N	0	301.14	DD	1.393	0	Anodyne	ref	DDAARN	CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)o1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	ZINC000001926472	90/19/44/180901944	YMTPGRMYKKKBTG-LLVKDONJSA-N	-1	316.279	DD	1.481	0	Anodyne	ref	DDAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	ZINC000001926474	90/20/51/180902051	YMTPGRMYKKKBTG-NSHDSACASA-N	-1	316.279	DD	1.481	0	Anodyne	ref	DDAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	ZINC000001926524	68/22/88/406682288	JLLRUAZHNVGNRA-LLVKDONJSA-N	-1	300.717	DD	1.254	0	Anodyne	ref	DDAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	ZINC000001926526	90/20/36/180902036	JLLRUAZHNVGNRA-NSHDSACASA-N	-1	300.717	DD	1.254	0	Anodyne	ref	DDAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	ZINC000001926594	90/20/80/180902080	DZHGMNKEFWRXLK-LLVKDONJSA-N	-1	300.717	DD	1.254	0	Anodyne	ref	DDAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	ZINC000001926596	90/20/38/180902038	DZHGMNKEFWRXLK-NSHDSACASA-N	-1	300.717	DD	1.254	0	Anodyne	ref	DDAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1	 
COc1cc(C(=O)NC(=S)NC(C)C)cc(OC)c1OC	ZINC000002136269	91/15/71/180911571	REXGIUMRDAEUMQ-UHFFFAOYSA-N	0	312.391	DD	1.725	0	Anodyne	ref	DDAARN	COc1cc(C(=O)NC(=S)NC(C)C)cc(OC)c1OC	 
Cc1cc(C)n(NC(=S)NC(=O)CC(C)C)c(=O)c1C#N	ZINC000002136381	68/55/17/406685517	YJPQDUDJUXMNSZ-UHFFFAOYSA-N	0	306.391	DD	1.328	0	Mild	ref	DDEARN	Cc1cc(C)n(NC(=S)NC(=O)CC(C)C)c(=O)c1C#N	 
C#CCOC(=O)c1ccccc1C(=O)n1nnc2ccccc21	ZINC000002274657	68/42/57/406684257	CSUAPNQISCNOJK-UHFFFAOYSA-N	0	305.293	DD	1.91	0	Mild	ref	DDEARN	C#CCOC(=O)c1ccccc1C(=O)n1nnc2ccccc21	 
CCOC(=O)N1CCN(C(=O)COc2ccc(CC)cc2)CC1	ZINC000002551802	68/96/92/406689692	FYZHUGYPWHZMJG-UHFFFAOYSA-N	0	320.389	DD	1.929	0	Anodyne	ref	DDAARN	CCOC(=O)N1CCN(C(=O)COc2ccc(CC)cc2)CC1	 
Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1Br	ZINC000002551978	93/42/16/180934216	WKJCOXJDBRXHOK-UHFFFAOYSA-N	0	312.119	DD	1.978	0	Mild	ref	DDEARN	Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1Br	 
NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1	ZINC000002644351	69/26/48/406692648	UQWVGWGUTHRBLP-UHFFFAOYSA-N	0	324.789	DD	1.917	0	Anodyne	ref	DDAARN	NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1	 
Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1	ZINC000002696250	69/56/13/406695613	NYPMFIMFPHCLKX-UHFFFAOYSA-N	0	310.309	DD	1.701	0	Anodyne	ref	DDAARN	Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000002701939	94/76/67/180947667	JTFJCGPHFHPQMS-JTQLQIEISA-N	0	300.355	DD	1.065	0	Anodyne	ref	DDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000002701940	94/79/66/180947966	JTFJCGPHFHPQMS-SNVBAGLBSA-N	0	300.355	DD	1.065	0	Anodyne	ref	DDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
Cc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1	ZINC000002750181	57/52/96/490575296	ZRMCDLVCOBSRNZ-UHFFFAOYSA-N	0	304.371	DD	1.572	0	Anodyne	ref	DDAARN	Cc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1	 
CCOC(=O)CNC(=O)c1ccc(OC)c(Br)c1	ZINC000002872173	70/59/08/406705908	OQXNJJKPAXPCAY-UHFFFAOYSA-N	0	316.151	DD	1.751	0	Anodyne	ref	DDAARN	CCOC(=O)CNC(=O)c1ccc(OC)c(Br)c1	 
COCCNC(=O)c1ccc(C)c(I)c1	ZINC000002883000	96/68/82/180966882	AHJBYNDNGMGILA-UHFFFAOYSA-N	0	319.142	DD	1.976	0	Anodyne	ref	DDAARN	COCCNC(=O)c1ccc(C)c(I)c1	 
COCCNC(=S)NC(=O)c1ccccc1Br	ZINC000002887471	96/79/77/180967977	OILTXEWASVUVDB-UHFFFAOYSA-N	0	317.208	DD	1.7	0	Anodyne	ref	DDAARN	COCCNC(=S)NC(=O)c1ccccc1Br	 
C=CCNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000002887744	96/78/88/180967888	YILDTUDZNVLJPJ-UHFFFAOYSA-N	0	310.375	DD	1.503	0	Mild	ref	DDEARN	C=CCNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1	 
Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000003567093	03/60/94/181036094	RJNQZDLHTAIPRD-UHFFFAOYSA-N	0	304.371	DD	1.572	0	Anodyne	ref	DDAARN	Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	 
O=C1NC(=O)C(=NNc2cc(Cl)ccc2Cl)C(=O)N1	ZINC000004179704	65/65/50/304656550	DXHHYRGHSYZRPX-UHFFFAOYSA-N	0	301.089	DD	1.127	2	Mild	low	DDEALN	O=C1NC(=O)C(=NNc2cc(Cl)ccc2Cl)C(=O)N1	 
O=C1NC(=O)C(=NNc2cc(Cl)ccc2Cl)C(=O)N1	ZINC000004179704	65/65/49/304656549	DXHHYRGHSYZRPX-UHFFFAOYSA-N	-1	301.089	DD	1.127	0	Mild	ref	DDEARM	O=C1[N-]C(=O)C(=NNc2cc(Cl)ccc2Cl)C(=O)N1	 
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	ZINC000004437069	11/00/62/181110062	LLBYUUOSUZGLAN-UHFFFAOYSA-N	0	306.343	DD	1.996	0	Mild	ref	DDEARN	C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	 
COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000004506350	11/70/82/181117082	OXQIFLGPBFPKFJ-UHFFFAOYSA-N	0	320.37	DD	1.273	0	Anodyne	ref	DDAARN	COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	 
Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1	ZINC000004506355	11/68/43/181116843	MDYFFCMCTAMUEU-UHFFFAOYSA-N	0	304.371	DD	1.572	0	Anodyne	ref	DDAARN	Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1	 
O=C1NC(=O)C(=Cc2ccc(Br)s2)C(=O)N1	ZINC000004602692	72/72/68/406727268	KPDLPSZANDQPMX-UHFFFAOYSA-N	0	301.121	DD	1.26	1	Clean	mid	DDCAMN	O=C1NC(=O)C(=Cc2ccc(Br)s2)C(=O)N1	 
O=C1NC(=O)C(=Cc2ccc(Br)s2)C(=O)N1	ZINC000004602692	72/72/63/406727263	KPDLPSZANDQPMX-UHFFFAOYSA-N	-1	301.121	DD	1.26	0	Clean	ref	DDCARM	O=C1[N-]C(=O)C(=Cc2ccc(Br)s2)C(=O)N1	 
Cc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O	ZINC000004671711	01/73/94/281017394	PWLLYXLSIPYUCK-UHFFFAOYSA-N	-1	307.291	DD	1.042	1	Mild	mid	DDEAMM	Cc1ccc([N+](=O)[O-])cc1N/N=C1\C(=O)[N-]C(=S)NC1=O	 
Cc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O	ZINC000004671711	01/73/93/281017393	PWLLYXLSIPYUCK-UHFFFAOYSA-N	-1	307.291	DD	1.042	1	Mild	mid	DDEAMM	Cc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)[N-]C(=S)NC1=O	 
Cc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O	ZINC000004671711	01/73/90/281017390	PWLLYXLSIPYUCK-UHFFFAOYSA-N	0	307.291	DD	1.042	1	Mild	mid	DDEAMN	Cc1ccc([N+](=O)[O-])cc1NN=C1C(=O)NC(=S)NC1=O	 
Cc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O	ZINC000004671711	01/73/78/281017378	PWLLYXLSIPYUCK-UHFFFAOYSA-N	-1	307.291	DD	1.042	0	Mild	ref	DDEARM	Cc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=S)NC1=O	 
CCOC(=O)CCC(=O)NC(=S)N1CCc2ccccc21	ZINC000004676246	13/52/56/181135256	FIOIPJVXOBRNAF-UHFFFAOYSA-N	0	306.387	DD	1.793	0	Anodyne	ref	DDAARN	CCOC(=O)CCC(=O)NC(=S)N1CCc2ccccc21	 
O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000004731382	14/40/34/181144034	OTXQVQFARWTDCU-AEZGRPFRSA-N	-1	318.329	DD	1.175	0	Anodyne	ref	DDAARM	O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	 
O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000004731383	14/39/22/181143922	OTXQVQFARWTDCU-WSKFYRRCSA-N	-1	318.329	DD	1.175	0	Anodyne	ref	DDAARM	O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	 
C=CCNC(=O)c1ccccc1NC(=O)CCC(=O)OCC	ZINC000004815477	15/62/68/181156268	FPOFFGWUNOLXBY-UHFFFAOYSA-N	0	304.346	DD	1.884	0	Mild	ref	DDEARN	C=CCNC(=O)c1ccccc1NC(=O)CCC(=O)OCC	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000004943958	17/70/00/181177000	HOETXQZTNDPJJW-SNVBAGLBSA-N	0	300.355	DD	1.064	0	Anodyne	ref	DDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	ZINC000004943959	17/67/69/181176769	HOETXQZTNDPJJW-JTQLQIEISA-N	0	300.355	DD	1.064	0	Anodyne	ref	DDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C	 
CCCOC(=O)CCC(=O)NC(=S)Nc1nccs1	ZINC000005044047	19/58/74/181195874	WBECVCQCYVIFFO-UHFFFAOYSA-N	0	301.393	DD	1.689	0	Anodyne	ref	DDAARN	CCCOC(=O)CCC(=O)NC(=S)Nc1nccs1	 
Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(N)=S	ZINC000005730420	73/66/99/406736699	MWKWYIXYEMQNOU-UHFFFAOYSA-N	0	313.18	DD	1.247	0	Mild	ref	DDEARN	Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(N)=S