COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000000651253	31/21/03/206312103	IHGZNZMSUDJIBQ-UHFFFAOYSA-N	0	376.434	GD	1.968	0	Anodyne	ref	GDAARN	COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	 
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000670442	31/42/92/206314292	WBYAGEJSHNRQAE-UHFFFAOYSA-N	0	376.434	GD	1.725	0	Anodyne	ref	GDAARN	O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1	ZINC000000674067	17/22/37/212172237	WPQLXYDMCZJLIJ-UHFFFAOYSA-N	-1	378.406	GD	1.537	0	Anodyne	ref	GDAARM	COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	 
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1	ZINC000000674777	25/78/38/209257838	KLDATTRRXASKHO-UHFFFAOYSA-N	-1	378.406	GD	1.537	0	Anodyne	ref	GDAARM	COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1	ZINC000000674792	25/84/22/209258422	ADYVZAADIZTHPV-UHFFFAOYSA-N	-1	395.437	GD	1.777	0	Anodyne	ref	GDAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1	ZINC000000676428	53/11/81/530531181	XWQPHFAUQRDXCA-UHFFFAOYSA-N	-1	383.495	GD	1.905	0	Anodyne	ref	GDAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1	 
COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1	ZINC000000779437	18/13/26/212181326	GIVIOUFRNYSYKO-UHFFFAOYSA-N	0	378.41	GD	1.643	2	Anodyne	low	GDAALN	COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1	 
COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1	ZINC000000779437	18/13/23/212181323	GIVIOUFRNYSYKO-UHFFFAOYSA-N	-1	378.41	GD	1.643	0	Anodyne	ref	GDAARM	COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(OC)n1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000794205	18/22/71/212182271	CENXCJHCGKRXDR-HOTGVXAUSA-N	-1	396.465	GD	1.537	0	Anodyne	ref	GDAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000794206	22/35/01/570223501	CENXCJHCGKRXDR-CVEARBPZSA-N	-1	396.465	GD	1.537	0	Anodyne	ref	GDAARM	O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000802774	32/34/18/206323418	DUMUDBWKLOYMQT-UHFFFAOYSA-N	0	376.434	GD	1.968	0	Anodyne	ref	GDAARN	COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
CC(C)(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000001070770	53/09/60/530530960	BSUYVOLBXNCJPC-UHFFFAOYSA-N	0	385.511	GD	1.567	0	Anodyne	ref	GDAARN	CC(C)(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1I	ZINC000001071400	21/34/23/212213423	QAMPCDXKSWCNNT-UHFFFAOYSA-N	0	375.118	GD	1.521	0	Mild	ref	GDEARN	COc1ccc(C(=O)ON2C(=O)CCC2=O)cc1I	 
O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1	ZINC000001146780	22/31/55/212223155	GOFCDDWJXNAULL-UHFFFAOYSA-N	0	395.462	GD	1.427	0	Anodyne	ref	GDAARN	O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1	 
CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000001298475	37/20/45/206372045	BZSSIOLOWZKFHW-UHFFFAOYSA-N	0	379.394	GD	1.863	0	Bother	ref	GDBARN	CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	 
CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000001794723	25/73/24/212257324	ANBKTXSKPVXTIC-CMDGGOBGSA-N	0	379.394	GD	1.842	2	Anodyne	low	GDAALN	CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	 
CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000001794723	25/73/20/212257320	ANBKTXSKPVXTIC-CMDGGOBGSA-N	-1	379.394	GD	1.842	0	Anodyne	ref	GDAARM	CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000002134122	73/91/54/522739154	LBSAONYBCSVGGG-STZFKDTASA-N	0	388.409	GD	1.359	1	Mild	mid	GDEAMN	COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000002134122	73/91/07/522739107	LBSAONYBCSVGGG-STZFKDTASA-N	-1	388.409	GD	1.359	0	Mild	ref	GDEARM	COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000002136174	39/92/06/206399206	NSGCGYSRDAAUEZ-UHFFFAOYSA-N	0	379.467	GD	1.727	1	Anodyne	mid	GDAAMN	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000002136174	39/92/00/206399200	NSGCGYSRDAAUEZ-UHFFFAOYSA-N	-1	379.467	GD	1.727	0	Anodyne	ref	GDAARM	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	 
O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1	ZINC000002136364	53/17/80/530531780	MMKOAEKUNCELEO-UHFFFAOYSA-N	0	383.495	GD	1.321	0	Anodyne	ref	GDAARN	O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1	 
CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000002136448	50/53/58/220505358	UGBHICHOARSQIP-UHFFFAOYSA-N	0	385.511	GD	1.567	0	Anodyne	ref	GDAARN	CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000002551737	42/19/70/206421970	MGLUYFCSKKVVLG-UHFFFAOYSA-N	0	399.494	GD	1.237	0	Anodyne	ref	GDAARN	COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1	ZINC000002861394	53/30/68/530533068	KAHBTDGMUYLGIF-UHFFFAOYSA-N	0	377.491	GD	1.993	0	Anodyne	ref	GDAARN	CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1	 
COCCNC(=S)NC(=O)c1ccc(C)c(I)c1	ZINC000002887233	53/30/42/530533042	QUKCYWSUHOHFNL-UHFFFAOYSA-N	0	378.235	GD	1.85	0	Anodyne	ref	GDAARN	COCCNC(=S)NC(=O)c1ccc(C)c(I)c1	 
O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1	ZINC000003297199	46/85/79/206468579	SUYMHYKMYUHLFY-UHFFFAOYSA-N	0	397.522	GD	1.711	0	Anodyne	ref	GDAARN	O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1	 
COc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1OC	ZINC000004575828	38/57/38/570385738	YDNWUWYTAMYSEN-UHFFFAOYSA-N	0	388.42	GD	1.394	0	Anodyne	ref	GDAARN	COc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1OC	 
COc1ccc(OCC(=O)NCCNC(=O)COc2ccc(OC)cc2)cc1	ZINC000004699411	39/46/70/570394670	PYPUMEPKBWVMKY-UHFFFAOYSA-N	0	388.42	GD	1.394	0	Anodyne	ref	GDAARN	COc1ccc(OCC(=O)NCCNC(=O)COc2ccc(OC)cc2)cc1	 
CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1	ZINC000004820893	40/84/93/570408493	SJQBIEZOAKTCRS-AWEZNQCLSA-N	0	391.493	GD	1.368	0	Anodyne	ref	GDAARN	CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1	 
CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1	ZINC000004820894	52/97/04/209529704	SJQBIEZOAKTCRS-CQSZACIVSA-N	0	391.493	GD	1.368	0	Anodyne	ref	GDAARN	CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1	ZINC000004838162	40/99/80/570409980	BENCQJNGYYPAJZ-OAHLLOKOSA-N	0	391.493	GD	1.162	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1	ZINC000004838163	53/06/47/209530647	BENCQJNGYYPAJZ-HNNXBMFYSA-N	0	391.493	GD	1.162	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCc1ccccc1	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	ZINC000004838745	08/07/74/204080774	JBWSCLCFGZPKCW-CYBMUJFWSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	ZINC000004838746	41/00/41/570410041	JBWSCLCFGZPKCW-ZDUSSCGKSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1	ZINC000004942504	41/89/24/570418924	IGKCQHFGTRDNQW-URWSZGRFSA-N	0	395.506	GD	1.305	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1	ZINC000004942505	09/54/45/204095445	IGKCQHFGTRDNQW-GFUIURDCSA-N	0	395.506	GD	1.305	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1	ZINC000004943960	57/62/60/206576260	KIFHLIVYVDAGPU-HNNXBMFYSA-N	0	378.425	GD	1.734	0	Anodyne	ref	GDAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCOc1ccccc1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1	ZINC000004943961	79/72/04/220797204	KIFHLIVYVDAGPU-OAHLLOKOSA-N	0	378.425	GD	1.734	0	Anodyne	ref	GDAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1	 
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000004975437	57/90/05/206579005	BNVSWFXJHYQJJZ-MRXNPFEDSA-N	0	376.453	GD	1.643	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1	 
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000004975440	55/37/17/209553717	BNVSWFXJHYQJJZ-INIZCTEOSA-N	0	376.453	GD	1.643	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C(C)(C)C)cc1	 
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1	ZINC000005044082	42/55/43/570425543	CGBGJLJDMRQIKI-CYBMUJFWSA-N	0	397.884	GD	1.037	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1	 
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1	ZINC000005044083	10/63/15/204106315	CGBGJLJDMRQIKI-ZDUSSCGKSA-N	0	397.884	GD	1.037	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)Cc1ccc(Cl)cc1	 
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044107	53/81/64/530538164	GEAKPEZKPISWRE-GFCCVEGCSA-N	0	383.857	GD	1.108	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044110	53/83/19/530538319	GEAKPEZKPISWRE-LBPRGKRZSA-N	0	383.857	GD	1.108	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044111	10/55/82/204105582	QVLOZDYGONUBQH-CYBMUJFWSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044115	42/56/12/570425612	QVLOZDYGONUBQH-ZDUSSCGKSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044117	10/55/98/204105598	CRKRJSZRZJTYHY-CYBMUJFWSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	ZINC000005044122	58/68/23/206586823	CRKRJSZRZJTYHY-ZDUSSCGKSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1	 
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000005555044	44/59/55/570445955	WASLWXAEEFWOMY-UHFFFAOYSA-N	0	390.461	GD	1.897	0	Anodyne	ref	GDAARN	COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	ZINC000006049725	46/50/59/570465059	NPJYEMOUTQVPDP-CYBMUJFWSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	ZINC000006049726	91/60/19/220916019	NPJYEMOUTQVPDP-ZDUSSCGKSA-N	0	397.884	GD	1.497	0	Anodyne	ref	GDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	 
Cc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1	ZINC000006204292	64/41/52/206644152	FZSQGFLZZNRQHG-AWEZNQCLSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)cc1	 
Cc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1	ZINC000006204293	63/79/54/209637954	FZSQGFLZZNRQHG-CQSZACIVSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)cc1	 
C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	ZINC000006252759	47/43/32/570474332	UWZCIQUKICESSU-ZSAUSMIDSA-N	-2	382.457	GD	1.389	0	Anodyne	ref	GDAARL	C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	 
CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1	ZINC000006857284	49/70/59/570497059	GGGHSNSZYLXEMF-ZDUSSCGKSA-N	0	383.514	GD	1.5	0	Anodyne	ref	GDAARN	CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1	 
CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1	ZINC000006857287	21/63/43/204216343	GGGHSNSZYLXEMF-CYBMUJFWSA-N	0	383.514	GD	1.5	0	Anodyne	ref	GDAARN	CC(C)(C)C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)cc1	ZINC000007262444	72/55/65/209725565	UVYIVHBXFVDUSC-CQSZACIVSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)cc1	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	ZINC000007262446	50/21/81/570502181	KQBINOJFHRVFFH-CYBMUJFWSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(C)c1	ZINC000007262449	23/75/25/204237525	QLQFXQCBCOIHHP-CQSZACIVSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(C)c1	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C	ZINC000007262451	50/21/63/570502163	YTAVRWCIEVYOMG-CQSZACIVSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	ZINC000007262452	50/20/53/570502053	YZYCWMJEEWFXKG-CYBMUJFWSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)cc1	ZINC000007262457	50/21/31/570502131	UVYIVHBXFVDUSC-AWEZNQCLSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)cc1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	ZINC000007262459	23/69/98/204236998	KQBINOJFHRVFFH-ZDUSSCGKSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(C)c1	ZINC000007262462	70/76/97/206707697	QLQFXQCBCOIHHP-AWEZNQCLSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(C)c1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C	ZINC000007262464	50/21/14/570502114	YTAVRWCIEVYOMG-AWEZNQCLSA-N	0	377.466	GD	1.153	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1C	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	ZINC000007262465	23/76/35/204237635	YZYCWMJEEWFXKG-ZDUSSCGKSA-N	0	397.884	GD	1.498	0	Anodyne	ref	GDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1Cl	 
COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N(C)C	ZINC000007498599	50/62/67/570506267	VNFCHJCDBVBPFK-UHFFFAOYSA-N	0	381.454	GD	1.171	0	Anodyne	ref	GDAARN	COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N(C)C	 
CC1=NNC(=O)/C1=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000009514081	90/02/26/520900226	MDZHZSJFVMXMOO-UHFFFAOYSA-N	-2	387.425	GD	1.168	3	Mild	high	GDEAHL	Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[nH][n-]c3=O)cc2)n1	 
CC1=NNC(=O)/C1=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000009514081	90/02/17/520900217	MDZHZSJFVMXMOO-UHFFFAOYSA-N	-1	387.425	GD	1.168	2	Mild	low	GDEALM	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-][nH]c3=O)cc2)n1	 
CC1=NNC(=O)/C1=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000009514081	90/01/99/520900199	MDZHZSJFVMXMOO-UHFFFAOYSA-N	-2	387.425	GD	1.168	0	Mild	ref	GDEARL	Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-][nH]c3=O)cc2)n1	 
CCCN(CCC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1	ZINC000010121458	56/59/74/570565974	WGSLQQCOPCULOX-UHFFFAOYSA-N	0	394.453	GD	1.159	1	Clean	mid	GDCAMN	CCCN(CCC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1	 
CCCN(CCC)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1	ZINC000010121458	56/59/68/570565968	WGSLQQCOPCULOX-UHFFFAOYSA-N	-1	394.453	GD	1.159	0	Clean	ref	GDCARM	CCCN(CCC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	 
Cc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)c1	ZINC000010129006	56/59/45/570565945	HESIHOCICNMWLC-AWEZNQCLSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C)c1	 
Cc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)c1	ZINC000010129009	56/60/39/570566039	HESIHOCICNMWLC-CQSZACIVSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C)c1	 
Cc1ccccc1C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC(C)C	ZINC000010129050	56/60/90/570566090	NMGCWXCUFSQFIG-AWEZNQCLSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1ccccc1C(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC(C)C	 
Cc1ccccc1C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC(C)C	ZINC000010129052	56/58/59/570565859	NMGCWXCUFSQFIG-CQSZACIVSA-N	0	377.466	GD	1.152	0	Anodyne	ref	GDAARN	Cc1ccccc1C(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC(C)C	 
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1	ZINC000010452424	10/34/39/221103439	CPPXIDBTLPWUAG-OAHLLOKOSA-N	0	391.493	GD	1.578	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1	 
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1	ZINC000010452427	33/45/90/204334590	CPPXIDBTLPWUAG-HNNXBMFYSA-N	0	391.493	GD	1.578	0	Anodyne	ref	GDAARN	CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C(C)C)cc1	 
CC(=O)Nc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1	ZINC000010518679	86/16/85/209861685	LOEURCLZIMEUFU-UHFFFAOYSA-N	0	375.45	GD	1.711	0	Anodyne	ref	GDAARN	CC(=O)Nc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCc1ccccc1	ZINC000012136936	86/07/56/206860756	VXCQIBZUZZUOQU-INIZCTEOSA-N	-1	390.436	GD	1.134	0	Anodyne	ref	GDAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCc1ccccc1	 
O=C(O)CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCc1ccccc1	ZINC000012136937	15/73/01/221157301	VXCQIBZUZZUOQU-MRXNPFEDSA-N	-1	390.436	GD	1.134	0	Anodyne	ref	GDAARM	O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCc1ccccc1	 
CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000012137687	15/75/01/221157501	SPYNOVRIAQNXQH-UHFFFAOYSA-N	1	398.419	GD	2.0	2	Bother	low	GDBALO	C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	 
CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000012137687	15/74/97/221157497	SPYNOVRIAQNXQH-UHFFFAOYSA-N	0	398.419	GD	2.0	0	Bother	ref	GDBARN	CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	 
O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1C(=O)NCCO	ZINC000012137988	37/35/33/204373533	GTHAUXXUGCNBGK-BQYQJAHWSA-N	0	375.475	GD	1.997	0	Anodyne	ref	GDAARN	O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1C(=O)NCCO	 
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1C(=O)O	ZINC000012137989	37/41/65/204374165	VTWBGRCHAWTLIH-HNNXBMFYSA-N	-1	376.409	GD	1.305	0	Anodyne	ref	GDAARM	CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1C(=O)[O-]	 
CC(C)CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1C(=O)O	ZINC000012137990	91/20/93/209912093	VTWBGRCHAWTLIH-OAHLLOKOSA-N	-1	376.409	GD	1.305	0	Anodyne	ref	GDAARM	CC(C)CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1C(=O)[O-]	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000012403986	73/96/31/522739631	XMYIMAICIPEOHM-PGMHBOJBSA-N	-1	384.417	GD	1.902	3	Mild	high	GDEAHM	COC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	 
COC(=O)/C(C#N)=N\Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000012403986	73/96/12/522739612	XMYIMAICIPEOHM-PGMHBOJBSA-N	0	384.417	GD	1.902	0	Mild	ref	GDEARN	COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	 
CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(I)cc1	ZINC000012413000	55/57/13/530555713	JRLWBVWHAGQTDZ-DHDCSXOGSA-N	0	387.206	GD	1.521	2	Mild	low	GDEALN	CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(I)cc1	 
CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(I)cc1	ZINC000012413000	55/57/07/530555707	JRLWBVWHAGQTDZ-DHDCSXOGSA-N	-1	387.206	GD	1.521	0	Mild	ref	GDEARM	Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(I)cc1	 
CN1CCN(C(=S)NC(=O)c2ccccc2I)CC1	ZINC000020218691	56/95/27/530569527	DABNJUPMNAGPRA-UHFFFAOYSA-N	1	389.262	GD	1.553	1	Anodyne	mid	GDAAMO	C[NH+]1CCN(C(=S)NC(=O)c2ccccc2I)CC1	 
CN1CCN(C(=S)NC(=O)c2ccccc2I)CC1	ZINC000020218691	56/95/21/530569521	DABNJUPMNAGPRA-UHFFFAOYSA-N	0	389.262	GD	1.553	0	Anodyne	ref	GDAARN	CN1CCN(C(=S)NC(=O)c2ccccc2I)CC1	 
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1	ZINC000035680972	55/71/62/570557162	VCBKUBOFXBYCHG-UHFFFAOYSA-N	1	389.477	GD	1.64	2	Anodyne	low	GDAALO	C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1	 
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1	ZINC000035680972	55/71/58/570557158	VCBKUBOFXBYCHG-UHFFFAOYSA-N	0	389.477	GD	1.64	0	Anodyne	ref	GDAARN	CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1	 
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000035877335	55/87/36/570558736	LGLIYVKIVKFLQB-UHFFFAOYSA-N	1	389.477	GD	1.884	2	Anodyne	low	GDAALO	COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	 
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000035877335	55/87/34/570558734	LGLIYVKIVKFLQB-UHFFFAOYSA-N	0	389.477	GD	1.884	0	Anodyne	ref	GDAARN	COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	 
CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000035877354	55/88/08/570558808	DUIBDLYDBRPWLA-UHFFFAOYSA-N	1	398.554	GD	1.482	2	Anodyne	low	GDAALO	CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1	 
CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000035877354	55/88/06/570558806	DUIBDLYDBRPWLA-UHFFFAOYSA-N	0	398.554	GD	1.482	0	Anodyne	ref	GDAARN	CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	 
CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCC3)cc2)CC1	ZINC000035877355	55/87/54/570558754	LXHJHJZAPKAPJO-UHFFFAOYSA-N	1	396.538	GD	1.236	2	Anodyne	low	GDAALO	C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCC3)cc2)CC1