JDDSPCRIJZRHBB-UHFFFAOYSA-N	Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1	9800117		1	NB2016_GPCR	0.84	0	0	1	100%	0
IZZFCONHZHYYET-UHFFFAOYSA-N	NC(=O)Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1	53239985		1	NB2016_GPCR	0.42	0	0	1	100%	0
GLWRGNCTKNNGMV-UHFFFAOYSA-N	CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	10321190		1	NB2016_GPCR	0.72	0	0	1	100%	0
NCIAOAAFFQTLIX-UHFFFAOYSA-N	CS(=O)(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	15872409		1	NB2016_GPCR	4.56	0	0	1	100%	0
INPGJMSTKSQOMI-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1	15872407		1	NB2016_GPCR	-0.15	0	0	1	100%	0
JQHSODWZKVGCLV-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C#N)n1	15872391		1	NB2016_GPCR	-0.57	0	0	1	100%	0
BAQDKMDAORZIMZ-UHFFFAOYSA-N	OC(=O)C(F)(F)F.Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C	56604024		1	NB2016_GPCR	0.26	0	0	1	100%	0
HIPGWLDSFHGAAY-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(F)c(F)c2)n1	15872408		1	NB2016_GPCR	-2.94	0	0	1	100%	0
RGWJYCCSHANDCO-UHFFFAOYSA-N	COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1	15872406		1	NB2016_GPCR	0.85	0	0	1	100%	0
ILMZGRFZRBXPAP-UHFFFAOYSA-N	CC(C)(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	18536613		1	NB2016_GPCR	2.76	0	0	1	100%	0
MLNSFBMGRWGGII-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2)n1	15872388		1	NB2016_GPCR	1.09	0	0	1	100%	0
XLIWJFSCQYQXAI-UHFFFAOYSA-N	NC(=O)CCc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1	53239984		1	NB2016_GPCR	0.79	0	0	1	100%	0
QESOEGOVASIYOF-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1	15872400		1	NB2016_GPCR	-0.56	0	0	1	100%	0
XRMIXMGGCDFGRF-UHFFFAOYSA-N	Fc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	9910722		1	NB2016_GPCR	-1.86	0	0	1	100%	0
KUUOIZXIXAEQRY-UHFFFAOYSA-M	[Li+].[O-]C(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	56603997		1	NB2016_GPCR	-0.93	0	0	1	100%	0
NRSWDNMMJZYTGV-UHFFFAOYSA-N	NC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1	9890357		1	NB2016_GPCR	0.08	0	0	1	100%	0
AKMVOBFZFANXPT-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(F)c2)n1	15872404		1	NB2016_GPCR	0.67	0	0	1	100%	0
SVRAGOOKTLUHES-UHFFFAOYSA-N	CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1	22464113		1	NB2016_GPCR	-1.67	0	0	1	100%	0
DOJXCIZDAFPMQV-UHFFFAOYSA-N	CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1	17892742		1	NB2016_GPCR	0.78	0	0	1	100%	0
QQJUCFIPZAVTEU-UHFFFAOYSA-N	CC1(C)CC(CC(C)(C)N1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1	10475737		1	NB2016_GPCR	-2.43	0	0	1	100%	0
XKOQKLFWCLUSAU-UHFFFAOYSA-N	CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1	44329036		1	NB2016_GPCR	-1.92	0	0	1	100%	0
YNEJNUAUXPCFAS-UHFFFAOYSA-N	Nc1nccc(n1)-c1c(ncn1C1CCC(O)CC1)-c1ccc(F)cc1	22464120		1	NB2016_GPCR	0.26	0	0	1	100%	0
HVYANQUWASOZQI-UHFFFAOYSA-N	NC(=O)c1ccc2c(c(nn2c1)-c1ccc(F)cc1)-c1ccnc(NCCCO)n1	10272700		1	NB2016_GPCR	-0.19	0	0	1	100%	0
NIYPUFWRJTYAKU-WLHGVMLRSA-N	OC(=O)\C=C\C(O)=O.OCCCNc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1	56604000		1	NB2016_GPCR	-1.3	0	0	1	100%	0
VXXRMUXEIWYVDP-UHFFFAOYSA-N	CS(O)(=O)=O.CN(C)CCCNc1nccc(n1)-c1c(nn2cc(ccc12)C(F)(F)F)-c1ccc(F)cc1	56603987		1	NB2016_GPCR	-0.25	0	0	1	100%	0
CCPYQRYMNOYXGL-UHFFFAOYSA-N	Fc1ccc(cc1)-c1nn2cc(ccc2c1-c1ccnc(NC2CC2)n1)C#N	10133732		1	NB2016_GPCR	0.05	0	0	1	100%	0
UBABNUZHWFXYNS-UHFFFAOYSA-N	Cl.Nc1nc(cs1)-c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	56681565		1	NB2016_GPCR	0.02	0	0	1	100%	0
XKTUKRBLWOHYIL-UHFFFAOYSA-N	Oc1c(Cl)cc(C=C2C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl	53239978		1	NB2016_GPCR	1.2	0	0	1	100%	0
FIGCSMLMEFLPMM-UHFFFAOYSA-N	Cl.Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)-c2cccnc2)cc1Br	56667992		1	NB2016_GPCR	-1.79	0	0	1	100%	0
LMXYVLFTZRPNRV-UHFFFAOYSA-N	Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br	5034		1	NB2016_GPCR	3.26	0	0	1	100%	0
XGIIRMLBZISRPR-UHFFFAOYSA-N	COC(=O)c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1	53239955		1	NB2016_GPCR	-0.45	0	0	1	100%	0
CBXVHMLTAMBOAT-UHFFFAOYSA-N	Cc1ccc2NC(=O)\C(c2c1)=N/Nc1ccc(cc1)S(N)(=O)=O	-		1	NB2016_GPCR	0.62	0	0	1	100%	0
FOTACNUKABBYFV-YVLHZVERSA-N	CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(N)(=O)=O)c2c1	-		1	NB2016_GPCR	-0.44	0	0	1	100%	0
YWGGNXADJYGMJY-UHFFFAOYSA-N	Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12	-		1	NB2016_GPCR	-2.78	0	0	1	100%	0
KFUHNOUIIKZZNO-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1	-		1	NB2016_GPCR	7.47	0	0	1	100%	0
ADGOSWMTFHSWDE-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1	-		1	NB2016_GPCR	-2.51	0	0	1	100%	0
LTYGAJVXAFJKSY-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c23)cc1	-		1	NB2016_GPCR	2.35	0	0	1	100%	0
XHBOHQMIFHBKMM-GDNBJRDFSA-N	CN(C)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(N)(=O)=O)c2c1	-		1	NB2016_GPCR	0.06	0	0	1	100%	0
ZQAZHQLWCKQXTD-GDNBJRDFSA-N	C\C(Nc1ccc(cc1)S(N)(=O)=O)=C1\C(=O)Nc2ccccc12	-		1	NB2016_GPCR	0.53	0	0	1	100%	0
CQSUILWVYSOEJC-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2c[nH]cn2)cc1	-		1	NB2016_GPCR	0.18	0	0	1	100%	0
AEVUOGUMOQAWBH-UHFFFAOYSA-N	Cc1cccc2c1NC(=O)\C2=N/Nc1ccc(cc1)S(N)(=O)=O	-		1	NB2016_GPCR	0.27	0	0	1	100%	0
TTYSGEABGJKUIS-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1	-		1	NB2016_GPCR	-0.04	0	0	1	100%	0
OSOOMYVRUVOQLW-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1	-		1	NB2016_GPCR	-3.44	0	0	1	100%	0
ZBJSSXLSSOZYFR-UHFFFAOYSA-N	CC(C)=Cc1cccc2NC(=O)\C(c12)=N/Nc1ccc(cc1)S(N)(=O)=O	-		1	NB2016_GPCR	0.76	0	0	1	100%	0
ZOVGOJSKGVLAJH-UHFFFAOYSA-N	CC(C)(CO)CNC(=O)c1ccc2NC(=O)\C(c2c1)=N/Nc1ccc(cc1)S(N)(=O)=O	-		1	NB2016_GPCR	0.16	0	0	1	100%	0
KBESLZOGXNTNCJ-UHFFFAOYSA-N	CC(C)c1ccc2c(NC(=O)\C2=N\Nc2ccc(cc2)S(N)(=O)=O)c1	-		1	NB2016_GPCR	1.73	0	0	1	100%	0
ZPFCKJPJMGEQTJ-UHFFFAOYSA-N	Cl.NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3cccc(CCc4ccncc4)c23)cc1	-		1	NB2016_GPCR	-4.51	0	0	1	100%	0
HLUXRVXOTIQDHH-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1	-		1	NB2016_GPCR	-1.25	0	0	1	100%	0
LTYGAJVXAFJKSY-XFFZJAGNSA-N	NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1	-		1	NB2016_GPCR	-0.93	0	0	1	100%	0
NXNQLECPAXXYTR-UHFFFAOYSA-N	O=C1Nc2c(nccc2)C1=Cc1c2c(n(c1)C)cccc2	16219401		1	NB2016_GPCR	-0.04	0	0	1	100%	0
KMHXVUCYJPXSIV-DHDCSXOGSA-N	O=C1Nc2ccccc2\C1=C\Nc1ccc(cc1)-n1cncn1	-		1	NB2016_GPCR	1.3	0	0	1	100%	0
KCVNXJLUFNZAMY-LCYFTJDESA-N	NS(=O)(=O)c1cccc(N\C=C2/C(=O)Nc3ccccc23)c1	-		1	NB2016_GPCR	0.83	0	0	1	100%	0
WPAUHINVDSQAEQ-FLIBITNWSA-N	O=C1Nc2ccccc2\C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1	-		1	NB2016_GPCR	-2.68	0	0	1	100%	0
RIJBDOXTEPVDPJ-APSNUPSMSA-N	COc1ccccc1-c1cc(\C=C2/C(=O)Nc3ncc(Br)cc23)cc(Br)c1O	9827373		1	NB2016_GPCR	0.1	0	0	1	100%	0
VZCJCGYMMSXPBM-SSZFMOIBSA-N	Oc1ccc2c(CC\C2=C2\C(=O)Nc3ccccc23)c1	44386338		1	NB2016_GPCR	-2.47	0	0	1	100%	0
UGKCASUMDGHTLI-UVTDQMKNSA-N	CS(=O)(=O)Nc1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1	-		1	NB2016_GPCR	0.65	0	0	1	100%	0
XDQUYQKTDSDQRL-UHFFFAOYSA-N	CCn1c(nc2ccncc12)-c1nonc1N	44397010		1	NB2016_GPCR	0.26	0	0	1	100%	0
JRYCXZUZWFHQPB-UHFFFAOYSA-N	Nc1nonc1-c1nc2cnccc2n1C1CCCCC1	44397032		1	NB2016_GPCR	0.21	0	0	1	100%	0
OHBDLKLACOYJNL-UHFFFAOYSA-N	Cn1c(nc2cnccc12)-c1nonc1N	11680113		1	NB2016_GPCR	0.16	0	0	1	100%	0
CFCWMGRWMVZFQN-UHFFFAOYSA-N	CCn1c(nc2ccc(F)cc12)-c1nonc1N	10236195		1	NB2016_GPCR	-5.33	0	0	1	100%	0
HCRQPXYLXXLKPT-UHFFFAOYSA-N	CCn1c(nc2ccccc12)-c1nonc1N	599038		1	NB2016_GPCR	-0.24	0	0	1	100%	0
GMCZGAWPMLORCQ-UHFFFAOYSA-N	CCc1nccc2n(CC)c(nc12)-c1nonc1N	44397147		1	NB2016_GPCR	1.35	0	0	1	100%	0
AFDUEISTJMYVSO-UHFFFAOYSA-N	NCc1ccc(cc1)-n1c(nc2cnccc12)-c1nonc1N	44397453		1	NB2016_GPCR	-0.74	0	0	1	100%	0
KFWBJWDHALYVMK-UHFFFAOYSA-N	CN(C)CCCn1c(nc2cnccc12)-c1nonc1N	44397710		1	NB2016_GPCR	0.09	0	0	1	100%	0
XXTCPTVXBKEROM-UHFFFAOYSA-N	CCn1c(nc2c(nccc12)N1CCCC1)-c1nonc1N	44397201		1	NB2016_GPCR	-0.77	0	0	1	100%	0
ATTRJLKUPUIICC-UHFFFAOYSA-N	CCOc1nccc2n(CC)c(nc12)-c1nonc1N	44396990		1	NB2016_GPCR	0.06	0	0	1	100%	0
YOLMUJOPRUSEGJ-QRPNPIFTSA-N	Cl.CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N	57398150		1	NB2016_GPCR	-0.8	0	0	1	100%	0
KODFUVBIVXFWPF-UHFFFAOYSA-N	CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N	16099859		1	NB2016_GPCR	2.32	0	0	1	100%	0
UYKVMFKKKLLDGL-UHFFFAOYSA-N	Cl.CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N	57398146		1	NB2016_GPCR	-0.35	0	0	1	100%	0
JZMFBTBVTPAGEQ-UHFFFAOYSA-N	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N	56603995		1	NB2016_GPCR	-2.73	0	0	1	100%	0
ZNQRTKUBYISFTI-UHFFFAOYSA-N	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OCCCN)c12)C#CCN)-c1nonc1N	56604005		1	NB2016_GPCR	-1.33	0	0	1	100%	0
KKMDOYLDYOJWIA-UHFFFAOYSA-N	OC(=O)C(F)(F)F.CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N	56604013		1	NB2016_GPCR	0.82	0	0	1	100%	0
KLJXDQVVVCKVLJ-UHFFFAOYSA-N	Cl.CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)-c1nonc1N	57401573		1	NB2016_GPCR	0.77	0	0	1	100%	0
RIIYKHQJSKRYKG-UHFFFAOYSA-N	CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N	25023715		1	NB2016_GPCR	8.93	0	0	1	100%	0
JHBURLBWOXZZGX-UHFFFAOYSA-N	CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N	11959377		1	NB2016_GPCR	1.13	0	0	1	100%	0
YESZPTXRITXXAP-LMOVPXPDSA-N	OC(=O)C(F)(F)F.CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N	56604034		1	NB2016_GPCR	-0.62	0	0	1	100%	0
NPRGDRYIMFLLIG-OAHLLOKOSA-N	CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N	11959682		1	NB2016_GPCR	-2.35	0	0	1	100%	0
CENXLZQVCQOSRZ-UHFFFAOYSA-N	Cl.CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)-c1nonc1N	57391875		1	NB2016_GPCR	3.77	0	0	1	100%	0
DYYZXRCFCVDSKD-UHFFFAOYSA-N	CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1	6603857		1	NB2016_GPCR	-1.13	0	0	1	100%	0
RCDUEGIHNAMABT-UHFFFAOYSA-N	CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1	22727427		1	NB2016_GPCR	-0.82	0	0	1	100%	0
FNFDRKGPSWNLTB-UHFFFAOYSA-N	Cl.C(c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1)c1ccccc1	57401574		1	NB2016_GPCR	-0.64	0	0	1	100%	0
IAVGAAAFEZBPEV-UHFFFAOYSA-N	Cl.COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1OC	57398148		1	NB2016_GPCR	0.14	0	0	1	100%	0
RNVAYYNPHCMLEQ-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1	57390087		1	NB2016_GPCR	-0.93	0	0	1	100%	0
CTWNMPWQARDODM-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1	57395317		1	NB2016_GPCR	-0.46	0	0	1	100%	0
MLKBEZWZIXORGM-UHFFFAOYSA-N	Cl.COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	57398154		1	NB2016_GPCR	0.29	0	0	1	100%	0
WLLKPDBSPXZCTG-UHFFFAOYSA-N	CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1	5329489		1	NB2016_GPCR	0.04	0	0	1	100%	0
ZZXNOEUJHJIRJJ-UHFFFAOYSA-N	Cl.Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1	57399800		1	NB2016_GPCR	-10.28	0	0	1	100%	0
NAHPEMQMXDXGBZ-UHFFFAOYSA-N	CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1	21951965		1	NB2016_GPCR	0.79	0	0	1	100%	0
PNYRMDAVOUGHJW-UHFFFAOYSA-N	Cl.CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	57398153		1	NB2016_GPCR	0.76	0	0	1	100%	0
CJQVGTFFDYKCRG-UHFFFAOYSA-N	C(Oc1ccc(Nc2ncnc3ccc(cc23)-c2ccco2)cc1)c1ccccc1	22609796		1	NB2016_GPCR	1.35	0	0	1	100%	0
ZEISXVZSRKYNKM-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1coc(c1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	57394601		1	NB2016_GPCR	-0.98	0	0	1	100%	0
URAIHJKKRZAQEB-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	57398151		1	NB2016_GPCR	0.16	0	0	1	100%	0
SRQLXMOPGYRMCT-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccoc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1	57398152		1	NB2016_GPCR	1.07	0	0	1	100%	0
JLBVWHHVKVXOOR-UHFFFAOYSA-N	Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(COCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1	9917474		1	NB2016_GPCR	14.18	0	0	1	100%	0
DCPZWIVIBBJNTC-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1	44532523		1	NB2016_GPCR	-1.85	0	0	1	100%	0
YVXGUCHVNMVCSB-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1	57394602		1	NB2016_GPCR	0.8	0	0	1	100%	0
GTCSPWZAYYRZHP-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1	57391094		1	NB2016_GPCR	-1.58	0	0	1	100%	0
HENOKQUXXFVOCS-UHFFFAOYSA-N	OC(=O)C(F)(F)F.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1	56603975		1	NB2016_GPCR	0.73	0	0	1	100%	0
SQRHHRZDUXEKBV-UHFFFAOYSA-N	Cl.Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1	57403319		1	NB2016_GPCR	2.21	0	0	1	100%	0
GOVDXHHUHYOZTJ-UHFFFAOYSA-N	Cl.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1	57391093		1	NB2016_GPCR	0.04	0	0	1	100%	0
JGUKCUUOQNQOBB-UHFFFAOYSA-N	CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	9873849		1	NB2016_GPCR	-0.75	0	0	1	100%	0
OLQUANHFOAQEPI-UHFFFAOYSA-N	Cl.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1	57391095		1	NB2016_GPCR	0.69	0	0	1	100%	0
RDHBGCDZTMPHGL-UHFFFAOYSA-N	Cl.COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC	21701565		1	NB2016_GPCR	0.12	0	0	1	100%	0
LDTAHRLHGHFHKP-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC	11626927		1	NB2016_GPCR	-2.2	0	0	1	100%	0
CKYDKNBLVBVPCS-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC	25263116		1	NB2016_GPCR	-2.18	0	0	1	100%	0
WJXHPWZUPIMHJP-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCCc4ccccc4)c(s3)C(N)=O)c2cc1OC	25263099		1	NB2016_GPCR	0.29	0	0	1	100%	0
QRODFHXJGMZHTM-UHFFFAOYSA-N	COC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12	25263110		1	NB2016_GPCR	-2.19	0	0	1	100%	0
LOKKVFGDJAVMLU-UHFFFAOYSA-N	NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccc(cc12)C(F)(F)F	25263088		1	NB2016_GPCR	-0.48	0	0	1	100%	0
UKFXNDDYHAHTEM-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCc4cccs4)c(s3)C(N)=O)c2cc1OC	25263103		1	NB2016_GPCR	-0.11	0	0	1	100%	0
DSRCAFSFCNIHTE-UHFFFAOYSA-N	COc1cccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)c1	25263078		1	NB2016_GPCR	-0.85	0	0	1	100%	0
JFNQBWFEGWHHDQ-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(C)=O)c2cc1OC	25263114		1	NB2016_GPCR	-1.72	0	0	1	100%	0
ZBDRKUGDFBDQJP-UHFFFAOYSA-N	CNC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12	25263115		1	NB2016_GPCR	-1.5	0	0	1	100%	0
CVLJBLIMHPEZJC-GFCCVEGCSA-N	COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1	25263119		1	NB2016_GPCR	-2.97	0	0	1	100%	0
JVAPIYLPNKDKAQ-KGLIPLIRSA-N	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl	25263120		1	NB2016_GPCR	0.27	0	0	1	100%	0
WRWFZZDBIJLBIJ-UHFFFAOYSA-N	COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC	25263092		1	NB2016_GPCR	-4.96	0	0	1	100%	0
UHCHLTQBLNUYRT-GFCCVEGCSA-N	COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC	11957417		1	NB2016_GPCR	-2.47	0	0	1	100%	0
OPJOIUDMJCRLNO-QGZVFWFLSA-N	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F	25263123		1	NB2016_GPCR	-0.08	0	0	1	100%	0
FCJBLTLQBCHRIE-QGZVFWFLSA-N	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1Cl	25263124		1	NB2016_GPCR	-0.12	0	0	1	100%	0
GILNGUYOGYOZMP-MRXNPFEDSA-N	C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl	16051023		1	NB2016_GPCR	-1.96	0	0	1	100%	0
JSKUWFIZUALZLX-UHFFFAOYSA-N	s1c(n2c3c(nc2)cc(OC)c(OC)c3)cc(OCc2c(C(F)(F)F)cccc2)c1C(=O)N	9826308		1	NB2016_GPCR	-2	0	0	1	100%	0
YWNUJKWNTHEOIR-GFCCVEGCSA-N	COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1	25263118		1	NB2016_GPCR	0.79	0	0	1	100%	0
ANWALZPQHPAZFO-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1	9885504		1	NB2016_GPCR	-0.25	0	0	1	100%	0
DXABEOGYKCNCRM-UHFFFAOYSA-N	Cl.Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1	57403320		1	NB2016_GPCR	-0.18	0	0	1	100%	0
GLHFDXWSDZWRNN-UHFFFAOYSA-N	Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccncc1	453216		1	NB2016_GPCR	0.64	0	0	1	100%	0
IBPFBGKKYDZPON-UHFFFAOYSA-N	Cl.Oc1cccc(c1)-c1nc([nH]c1-c1ccncc1)-c1ccccc1	57399804		1	NB2016_GPCR	-1.65	0	0	1	100%	0
VMRIQAPFNJVYQI-UHFFFAOYSA-N	CC(C)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1	11717091		1	NB2016_GPCR	-1.09	0	0	1	100%	0
HZJPBOLTWHOKEL-UHFFFAOYSA-N	Fc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1	9858084		1	NB2016_GPCR	-0.12	0	0	1	100%	0
HYDHOIPUKQMAHM-UHFFFAOYSA-N	C(Cn1ccnc1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1	10294883		1	NB2016_GPCR	0.04	0	0	1	100%	0
UNNVAVXBYOPNHR-UHFFFAOYSA-N	COc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1	9901964		1	NB2016_GPCR	-1.01	0	0	1	100%	0
UJVHDGDGHUBCNG-UHFFFAOYSA-N	C(CN1CCOCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1	11604319		1	NB2016_GPCR	-2.14	0	0	1	100%	0
GVSGFNAEUPRUIM-UHFFFAOYSA-N	COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2)S(C)=O)n1C)-c1ccncc1	44433171		1	NB2016_GPCR	-1.21	0	0	1	100%	0
ZDSNJSQTPLXCSG-UHFFFAOYSA-N	COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)(=O)=O)n1C)-c1ccncc1	44433173		1	NB2016_GPCR	4.01	0	0	1	100%	0
BARYYLFEOIUPEY-UHFFFAOYSA-N	COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1	24180608		1	NB2016_GPCR	0.76	0	0	1	100%	0
AVKVYZAPGSRUOD-UHFFFAOYSA-N	Cl.ON=C1CCc2cc(ccc12)-c1nc([nH]c1-c1ccncc1)C1CCNCC1	136026030		1	NB2016_GPCR	-0.91	0	0	1	100%	0
UUHBCVPHICUOOF-HIKCQHJYSA-N	O.Cl.CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2c(CC\C2=N/O)c1)-c1ccncc1	136126597		1	NB2016_GPCR	-0.4	0	0	1	100%	0
FFOSNUOJQDXQME-UHFFFAOYSA-N	Cl.CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)=NO	136207967		1	NB2016_GPCR	0.96	0	0	1	100%	0
QNTVJRSWYJREKJ-UHFFFAOYSA-N	CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1)-c1ccnc2[nH]ccc12	44587530		1	NB2016_GPCR	-0.59	0	0	1	100%	0
BUAIGJRXIAKFCN-UHFFFAOYSA-N	Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1	9857146		1	NB2016_GPCR	-0.19	0	0	1	100%	0
XSJMSGALWUODPK-UHFFFAOYSA-N	COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1	11163861		1	NB2016_GPCR	0.21	0	0	1	100%	0
IXSZNCPQZGGHKB-UHFFFAOYSA-N	COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1	6539385		1	NB2016_GPCR	-2.35	0	0	1	100%	0
WIIIHAKKVLVGJX-UHFFFAOYSA-N	C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1	6539369		1	NB2016_GPCR	0.2	0	0	1	100%	0
GBNWWXHUOVAUHT-UHFFFAOYSA-N	COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1	6539361		1	NB2016_GPCR	-1.48	0	0	1	100%	0
WZYFWJBVNQRGCX-UHFFFAOYSA-N	FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccccc2)c1	6539397		1	NB2016_GPCR	-0.56	0	0	1	100%	0
WNKSRDBBYKDORB-UHFFFAOYSA-N	CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	6539382		1	NB2016_GPCR	-1.13	0	0	1	100%	0
ZOTNSCLLJKXGSD-UHFFFAOYSA-N	CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F	10173796		1	NB2016_GPCR	0.07	0	0	1	100%	0
CWRTWFWDDAJOMG-UHFFFAOYSA-N	N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1	10308522		1	NB2016_GPCR	-6.48	0	0	1	100%	0
RLKIXFRFDGFKOP-UHFFFAOYSA-N	C1CC1Nc1nccc(n1)-c1cnn2nc(ccc12)N1CCOCC1	10193464		1	NB2016_GPCR	1.66	0	0	1	100%	0
UODXTGBFBIFREQ-UHFFFAOYSA-N	CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1	6539364		1	NB2016_GPCR	-0.48	0	0	1	100%	0
NEWXQDRWGLAOAY-UHFFFAOYSA-N	Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1	10125875		1	NB2016_GPCR	-0.22	0	0	1	100%	0
RPRZAINAFJBVOV-UHFFFAOYSA-N	CCc1nn2ncccc2c1-c1ccnc(NC2CC2)n1	10171618		1	NB2016_GPCR	0.3	0	0	1	100%	0
JOSDAWJORYYQIX-UHFFFAOYSA-N	FC(F)(F)CNc1nccc(n1)-c1cnn2ncccc12	10286242		1	NB2016_GPCR	-4.21	0	0	1	100%	0
DQKZVZRKPRQVEU-UHFFFAOYSA-N	CCN(CC)Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1	10215776		1	NB2016_GPCR	2.72	0	0	1	100%	0
CKZWKYHFXVABMB-UHFFFAOYSA-N	Cl.COc1ccc(Nc2ncc(o2)-c2ccccc2)cc1OC	11244488		1	NB2016_GPCR	-0.4	0	0	1	100%	0
UMRCHWHZJBYWLH-UHFFFAOYSA-N	Cl.N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1	11392350		1	NB2016_GPCR	-1.96	0	0	1	100%	0
DRASRMDSEMMJAH-UHFFFAOYSA-N	Cl.N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1	57400544		1	NB2016_GPCR	-0.07	0	0	1	100%	0
DOKIBWCVABZHOH-UHFFFAOYSA-N	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccc2F)c1	5329875		1	NB2016_GPCR	-2.48	0	0	1	100%	0
QCQOWGLVUUYDQD-UHFFFAOYSA-N	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)C(C)=O)c1	5329868		1	NB2016_GPCR	0.73	0	0	1	100%	0
OKFOIEMZTIOWQH-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccccc2)cc1	5329850		1	NB2016_GPCR	-1.09	0	0	1	100%	0
GOGIUMBXFRNDRK-UHFFFAOYSA-N	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(OC)c2)c1	5329860		1	NB2016_GPCR	-2	0	0	1	100%	0
IXAUVBHKVRFJHO-UHFFFAOYSA-N	CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2)c1	5329855		1	NB2016_GPCR	0.49	0	0	1	100%	0
QAAZSECJUMWUTP-UHFFFAOYSA-N	CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2Cl)c1	5329857		1	NB2016_GPCR	-1.74	0	0	1	100%	0
XLGKHWGSIZWZNN-UHFFFAOYSA-N	Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1	5329849		1	NB2016_GPCR	-1.72	0	0	1	100%	0
HFICAVMUTYFODG-UHFFFAOYSA-N	N(c1ncc(o1)-c1ccccc1)c1ccccc1	5329404		1	NB2016_GPCR	7.14	0	0	1	100%	0
IHXLWHUWFVFLCY-UHFFFAOYSA-N	Cl.COc1ccccc1Nc1ncc(o1)-c1ccccc1	11231939		1	NB2016_GPCR	-0.16	0	0	1	100%	0
CKYLEUNHWFIYOR-UHFFFAOYSA-N	COc1cc(Nc2ncc(o2)-c2ccccc2)cc(OC)c1OC	5329854		1	NB2016_GPCR	-0.15	0	0	1	100%	0
RKNRDRPDYXCRPG-UHFFFAOYSA-N	COc1cc(Nc2ncc(o2)-c2ccccc2)cc(OC)c1	5329853		1	NB2016_GPCR	-0.57	0	0	1	100%	0
ASFADYMEYHSSND-UHFFFAOYSA-N	COc1cc(C=NNc2ncnc3n(Cc4ccccc4)ncc23)ccc1O	136091540		1	NB2016_GPCR	0.11	0	0	1	100%	0
ZHJIZOYQFUOCHV-FBCYGCLPSA-N	COc1cc(ccc1O)\C=N\Nc1ncnc2n(ncc12)C(C)C	135778714		1	NB2016_GPCR	1.89	0	0	1	100%	0
FYLWAIJQFCKHDH-AUEPDCJTSA-N	COc1cccc(c1)-n1ncc2c(N\N=C\c3cccc(F)c3)ncnc12	9604922		1	NB2016_GPCR	-0.22	0	0	1	100%	0
RAOQCDVBADRLDK-AUEPDCJTSA-N	COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(F)cc3)ncnc12	9604943		1	NB2016_GPCR	0.38	0	0	1	100%	0
HRLCKXAUZJCJAZ-FZSIALSZSA-N	COc1cc(\C=N\Nc2ncnc3[nH]ncc23)ccc1O	135778713		1	NB2016_GPCR	0.42	0	0	1	100%	0
PMDIOXBUJXUENT-KVQMOARXSA-N	Cl.COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)C(=O)NCCN(C)C)ncnc12	57396353		1	NB2016_GPCR	1.39	0	0	1	100%	0
WKJFLAJZSWRICW-FOKLQQMPSA-N	COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)S(C)(=O)=O)ncnc12	9604948		1	NB2016_GPCR	-2.05	0	0	1	100%	0
AKHRMFAGIBQWDR-UHFFFAOYSA-N	COc1cc(C=NNc2ncnc3n(ncc23)-c2ccccc2)ccc1O	3805075		1	NB2016_GPCR	-2.55	0	0	1	100%	0
UUZWUKJJOLIQMT-BRJLIKDPSA-N	CCCNc1cccc(c1)-n1ncc2c(N\N=C\c3ccncc3)ncnc12	9604926		1	NB2016_GPCR	1.31	0	0	1	100%	0
QRNLICFNSFQHBO-FOKLQQMPSA-N	COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(C)cc3)ncnc12	9604958		1	NB2016_GPCR	-0.22	0	0	1	100%	0
AWYYOUZTURFIFO-FOKLQQMPSA-N	COc1cccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc(OC)c2)c1	9604940		1	NB2016_GPCR	-0.63	0	0	1	100%	0
PVIMTNAWPMEBAK-LSHDLFTRSA-N	COc1cccc(c1)-n1ncc2c(N\N=C\c3ccncc3)ncnc12	9604911		1	NB2016_GPCR	-0.32	0	0	1	100%	0
YMOZGQKWFWKZJV-YSURURNPSA-N	COc1cccc(c1)-c1c[nH]c2c(N\N=C\c3ccncc3)ncnc12	9604912		1	NB2016_GPCR	-1	0	0	1	100%	0
VARGUUBRJVQGHK-AUEPDCJTSA-N	COc1cccc(c1)-n1cnc2c(N\N=C\c3ccncc3)ncnc12	9604915		1	NB2016_GPCR	-0.25	0	0	1	100%	0
SAWLOYCVNOMZOQ-OAQYLSRUSA-N	COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	25218621		1	NB2016_GPCR	0.89	0	0	1	100%	0
LZOWLPPKVLNYEG-UHFFFAOYSA-N	CCCN1CCCC(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1	25218600		1	NB2016_GPCR	-1.24	0	0	1	100%	0
IBROMPXLFSIBRF-UHFFFAOYSA-N	COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	25218614		1	NB2016_GPCR	-1.03	0	0	1	100%	0
MCHOTIIDAJHLED-UHFFFAOYSA-N	CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(C)c1	25218593		1	NB2016_GPCR	0.04	0	0	1	100%	0
IKWHWJFNGWUVIJ-UHFFFAOYSA-N	COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1	25211574		1	NB2016_GPCR	-0.4	0	0	1	100%	0
ZUXJDKZUOTZPMQ-UHFFFAOYSA-N	COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C	25218573		1	NB2016_GPCR	-0.35	0	0	1	100%	0
GGQTUXCKDZGJDL-UHFFFAOYSA-N	CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl	25218571		1	NB2016_GPCR	0.09	0	0	1	100%	0
NYPPEWQPHYILTM-UHFFFAOYSA-N	COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1	25218584		1	NB2016_GPCR	-0.67	0	0	1	100%	0
PEPOAPKYASCEKL-UHFFFAOYSA-N	COc1cc(ccc1Nc1nc(Nc2cccc3ncccc23)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	44581765		1	NB2016_GPCR	-0.78	0	0	1	100%	0
YNSCKPCDFIDINW-UHFFFAOYSA-N	COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C	25210972		1	NB2016_GPCR	-2.8	0	0	1	100%	0
CMBHUJIHAZQWHO-UHFFFAOYSA-N	COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(O)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C	44581245		1	NB2016_GPCR	-0.33	0	0	1	100%	0
OBMZKUNRGPCSLT-UHFFFAOYSA-N	CNC(=O)c1ncccc1Nc1nc(Nc2cc3N(CCCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12	53239988		1	NB2016_GPCR	-1.01	0	0	1	100%	0
MUCIWJFQZDAZJT-UHFFFAOYSA-N	COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1	44581222		1	NB2016_GPCR	0.81	0	0	1	100%	0
KKPGTCOUMOPLRX-UHFFFAOYSA-N	COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1	25210971		1	NB2016_GPCR	-0.26	0	0	1	100%	0
PGONBMCLDBGMIY-UHFFFAOYSA-N	Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1	10295475		1	NB2016_GPCR	0.44	0	0	1	100%	0
LOQFPSAYBYTGOA-UHFFFAOYSA-N	Cc1nnc(o1)-c1cccc(c1)-c1ccc(cc1)C(=O)NCC1CC1	25093474		1	NB2016_GPCR	-1.45	0	0	1	100%	0
BFVNHKDXWONWHN-UHFFFAOYSA-N	COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1	10158653		1	NB2016_GPCR	0.14	0	0	1	100%	0
PMMLSQFPBFKLHH-UHFFFAOYSA-N	Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N	10200651		1	NB2016_GPCR	1.55	0	0	1	100%	0
CZXAZXLPPWLLGJ-UHFFFAOYSA-N	Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1	44578672		1	NB2016_GPCR	-0.47	0	0	1	100%	0
BOQNSWFZUHQNRG-UHFFFAOYSA-N	Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1	24856364		1	NB2016_GPCR	-2.23	0	0	1	100%	0
RPNGVORGBYYVHT-UHFFFAOYSA-N	Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCC1	44578255		1	NB2016_GPCR	-0.32	0	0	1	100%	0
GTPHSWNKNONVOX-UHFFFAOYSA-N	O=C(NCC1CC1)c1ccc(cc1)-c1cccc(c1)C(=O)NC1CC1	44578563		1	NB2016_GPCR	1.28	0	0	1	100%	0
XWMDWGDDWKLDEH-UHFFFAOYSA-N	Cc1ccc(NC(=O)CC2CC2)cc1-c1ccc(cc1)C(=O)NCC1CC1	44578425		1	NB2016_GPCR	-0.13	0	0	1	100%	0
OALMGWWMKRZIDJ-UHFFFAOYSA-N	Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCCCC1	44578253		1	NB2016_GPCR	-1.61	0	0	1	100%	0
HWUIKJWOZNTZQM-UHFFFAOYSA-N	CC(C)NC(=O)c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1	44578254		1	NB2016_GPCR	1.77	0	0	1	100%	0
HNOVOESCCUJDRT-UHFFFAOYSA-N	Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1	44593640		1	NB2016_GPCR	-0.05	0	0	1	100%	0
LOMWKXCERLJDPO-UHFFFAOYSA-N	CCC(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1	44578401		1	NB2016_GPCR	0.9	0	0	1	100%	0
HZKJOEBOIMSMJP-UHFFFAOYSA-N	Cc1ccc(cc1-c1ccc2[nH]ncc2c1)C(=O)NC1CC1	10469531		1	NB2016_GPCR	0.65	0	0	1	100%	0
LUZCFTLMLBCTTK-BJILWQEISA-N	Cl.Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1	57400542		1	NB2016_GPCR	-0.11	0	0	1	100%	0
WJVCASAEBZAPDS-ONEGZZNKSA-N	Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)C(N)=O	44418540		1	NB2016_GPCR	0.47	0	0	1	100%	0
OEEUGRMNVFZVEG-SNAWJCMRSA-N	COC(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1	44418532		1	NB2016_GPCR	-0.47	0	0	1	100%	0
NLOKJGFIQFVGNZ-MDZDMXLPSA-N	CCc1cccc(CC)c1\C=C\c1cncc(c1)C(=O)NC	44418546		1	NB2016_GPCR	1.95	0	0	1	100%	0
GHHDPZAABUUQIX-AATRIKPKSA-N	CNC(=O)Oc1cc(C)c(\C=C\c2cncc(c2)C(=O)NC)c(C)c1	44418572		1	NB2016_GPCR	19.7	0	0	1	100%	0
LPZDPCXVCBSYEC-AATRIKPKSA-N	CN(C)C(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1	44418533		1	NB2016_GPCR	0.05	0	0	1	100%	0
HVTWLTGGYKBXHX-VOTSOKGWSA-N	CNC(=O)c1cncc(\C=C\c2ccccc2Cl)c1	44418556		1	NB2016_GPCR	-0.01	0	0	1	100%	0
VCTNTQPZRCNWJA-BQYQJAHWSA-N	CNC(=O)c1cncc(\C=C\c2c(C)cccc2C)c1	44418539		1	NB2016_GPCR	2.92	0	0	1	100%	0
OXUXFBQTNQPGCQ-IPZCTEOASA-N	Cl.Cc1cc(cc(C)c1\C=C\c1cncc(c1)-c1nn[nH]n1)-c1ccco1	57398867		1	NB2016_GPCR	1.61	0	0	1	100%	0
DMGXXSZZNPKCTM-AATRIKPKSA-N	CNC(=O)c1cncc(\C=C\c2c(Cl)cccc2Cl)c1	44418547		1	NB2016_GPCR	-2.09	0	0	1	100%	0
PEPUZAMPTKKJFX-UHFFFAOYSA-N	Cl.Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1	57401575		1	NB2016_GPCR	-0.25	0	0	1	100%	0
YEIAMNOHYKXSFB-TZIWHRDSSA-N	CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1	11273032		1	NB2016_GPCR	0.69	0	0	1	100%	0
IYINYGZMZPUBOK-TZIWHRDSSA-N	CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1	11307581		1	NB2016_GPCR	-3.06	0	0	1	100%	0
NXPQOKLTKBGJEH-UHFFFAOYSA-N	CS(=O)(=O)CCNCc1cc(cs1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1	44571414		1	NB2016_GPCR	0.36	0	0	1	100%	0
PBIJKZCHYCDPPC-UHFFFAOYSA-N	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1	44571453		1	NB2016_GPCR	1.14	0	0	1	100%	0
ZXVPQQUYVOHTBO-UHFFFAOYSA-N	Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3ccco3)cc2Cl)c1	44571435		1	NB2016_GPCR	-0.56	0	0	1	100%	0
SMQZLZAGBDDASN-ZHEQYFEDSA-N	OC(=O)C(F)(F)F.Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1	56604049		1	NB2016_GPCR	1.37	0	0	1	100%	0
NKOJMDRKLJSOJR-FYYLOGMGSA-N	Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1	11284937		1	NB2016_GPCR	-2.18	0	0	1	100%	0
LGOFDYJCRIMGHI-ZHEQYFEDSA-N	Cl.O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2s1)N1CCOCC1	57391097		1	NB2016_GPCR	-0.03	0	0	1	100%	0
RRZNKYJMPHVLDI-JIMLSGQQSA-N	OC(=O)C(F)(F)F.O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2s1)N1CCOCC1	56603973		1	NB2016_GPCR	-1.6	0	0	1	100%	0
FIFYQOXBCARPBQ-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)ccc2[nH]1	57399798		1	NB2016_GPCR	0.65	0	0	1	100%	0
OEYVBXJCSSKWJW-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccc2[nH]1	57396352		1	NB2016_GPCR	0.5	0	0	1	100%	0
HKPBZPKKYDOKSE-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1	57396351		1	NB2016_GPCR	1.73	0	0	1	100%	0
BBGZUGGIEIYPCN-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1	57398147		1	NB2016_GPCR	0.98	0	0	1	100%	0
QMTGTQNHZXEXLD-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1	57401572		1	NB2016_GPCR	-0.44	0	0	1	100%	0
LMWATHMMGRFQHI-UHFFFAOYSA-N	Cl.Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccccc4)nc3c2)cc1)C(F)(F)F	57403317		1	NB2016_GPCR	-0.1	0	0	1	100%	0
ZTYWWSYUDYNRMS-UHFFFAOYSA-N	Cl.CN1CCN(CCCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1	57391092		1	NB2016_GPCR	-0.28	0	0	1	100%	0
GQMGDJGIMHECBU-UHFFFAOYSA-N	Cl.Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccco4)nc3c2)cc1)C(F)(F)F	57396350		1	NB2016_GPCR	-0.32	0	0	1	100%	0
LIRNSPSAYSNIME-UHFFFAOYSA-N	Cl.COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(O)=O)cc3)ccc2[nH]1	57399799		1	NB2016_GPCR	-0.25	0	0	1	100%	0
IDBPJJQGJZOVMW-UHFFFAOYSA-N	CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1	10160775		1	NB2016_GPCR	-2.51	0	0	1	100%	0
LCFRJLLZJJURNJ-UHFFFAOYSA-N	OS(O)(=O)=O.COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1	56604030		1	NB2016_GPCR	-0.1	0	0	1	100%	0
WFOPNLUSQIIBIX-UHFFFAOYSA-N	COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1	6539413		1	NB2016_GPCR	0.61	0	0	1	100%	0
OIPORLPSIAFDJE-UHFFFAOYSA-N	FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1	6539422		1	NB2016_GPCR	-0.65	0	0	1	100%	0
VCIUEFSUNSUNPA-UHFFFAOYSA-N	Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1	6539409		1	NB2016_GPCR	0.35	0	0	1	100%	0
KLEPBNXGYXGZGI-UHFFFAOYSA-N	Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(cc2)C(F)(F)F)cc1F	6539417		1	NB2016_GPCR	-0.13	0	0	1	100%	0
KFMDNTIUGNJKPB-UHFFFAOYSA-N	Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1	6539424		1	NB2016_GPCR	0.98	0	0	1	100%	0
MQWZYEDJGHLFFI-UHFFFAOYSA-N	FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1	6539418		1	NB2016_GPCR	4.75	0	0	1	100%	0
JLEUOCWABWBHQW-UHFFFAOYSA-N	Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1	6539439		1	NB2016_GPCR	1.85	0	0	1	100%	0
PHMQSKGFSDGFMK-UHFFFAOYSA-N	COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1	6539414		1	NB2016_GPCR	0.39	0	0	1	100%	0
BWBYKJFTJZIURF-UHFFFAOYSA-N	COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1	6539411		1	NB2016_GPCR	-0.08	0	0	1	100%	0
MUZOXFIYPZZDCU-UHFFFAOYSA-N	Cl.CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1	57403316		1	NB2016_GPCR	2.33	0	0	1	100%	0
NOIDWOQNGSHXOA-UHFFFAOYSA-N	Cl.CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1	57391091		1	NB2016_GPCR	0.38	0	0	1	100%	0
NXPQZPWXVHIWGN-UHFFFAOYSA-N	CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1	5329831		1	NB2016_GPCR	-0.82	0	0	1	100%	0
LACXBAFCYJYVNY-UHFFFAOYSA-N	Cl.CN(c1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCN(C)CC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1	-		1	NB2016_GPCR	-0.74	0	0	1	100%	0
SNRUTMWCDZHKKM-UHFFFAOYSA-N	CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1	5329829		1	NB2016_GPCR	1.23	0	0	1	100%	0
QZFLQLMWGKMMGY-UHFFFAOYSA-N	Cl.Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)cc1O	57392873		1	NB2016_GPCR	0.08	0	0	1	100%	0
NQHLFCVNEBJHOT-UHFFFAOYSA-N	NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1	24896610		1	NB2016_GPCR	0.58	0	0	1	100%	0
JSNDMDCDIXZZDC-UHFFFAOYSA-N	Cl.NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1	57398149		1	NB2016_GPCR	0.34	0	0	1	100%	0
DQBBVXOEACBXDP-UHFFFAOYSA-N	Cl.CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1	24949545		1	NB2016_GPCR	0.14	0	0	1	100%	0
SQQAPOSROFWHIB-UHFFFAOYSA-N	COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC	9822610		1	NB2016_GPCR	0.88	0	0	1	100%	0
AZCBRJLSKDKJBS-UHFFFAOYSA-N	Cl.CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(n2)N(C)c2ccc3c(C)n[nH]c3c2)c1	57395310		1	NB2016_GPCR	-0.93	0	0	1	100%	0
LGTURXDQKJRHSF-UHFFFAOYSA-N	COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4C(=O)NC(=O)c4c3c2c1	5482344		1	NB2016_GPCR	-0.32	0	0	1	100%	0
YYGKSMKAYKZSBC-UHFFFAOYSA-N	Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl	6539478		1	NB2016_GPCR	-0.07	0	0	1	100%	0
ONVZFCHLOZUXRP-UHFFFAOYSA-N	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl	448008		1	NB2016_GPCR	0.61	0	0	1	100%	0
ACQZMAJVOPRMQJ-UHFFFAOYSA-N	O=C1NC(=O)C(=C1Nc1ccccc1)c1ccccc1	6539451		1	NB2016_GPCR	-2.23	0	0	1	100%	0
LSXUOGJVNXPHBN-UHFFFAOYSA-N	Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	6539521		1	NB2016_GPCR	0.87	0	0	1	100%	0
OXYHNOHLBLUYKQ-UHFFFAOYSA-N	COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O	6539522		1	NB2016_GPCR	0.21	0	0	1	100%	0
ACBZAFIQJQQSBY-UHFFFAOYSA-N	OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)ccc1Cl	6539502		1	NB2016_GPCR	0.32	0	0	1	100%	0
LLELAEGDEATZFN-UHFFFAOYSA-N	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl	6539482		1	NB2016_GPCR	-2	0	0	1	100%	0
RSOMSYHDLLNJGQ-UHFFFAOYSA-N	Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1	6539466		1	NB2016_GPCR	-0.36	0	0	1	100%	0
XCYIIVRZXLZJER-UHFFFAOYSA-N	COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O	6539453		1	NB2016_GPCR	1.28	0	0	1	100%	0
QOJSERWVVHZZPL-UHFFFAOYSA-N	Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl	6539487		1	NB2016_GPCR	1.43	0	0	1	100%	0
NITFTDTXTHHURN-UHFFFAOYSA-N	Cc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1	6539751		1	NB2016_GPCR	-0.24	0	0	1	100%	0
QGHMHWPBFHABJY-UHFFFAOYSA-N	COc1ccc(cc1)-c1coc2ncnc(N)c12	5329801		1	NB2016_GPCR	-0.88	0	0	1	100%	0
DIJLFIHLUYAZCI-UHFFFAOYSA-N	COc1ccc(cc1)-c1cc2c(N)ncnc2o1	5329802		1	NB2016_GPCR	-0.08	0	0	1	100%	0
PILHXMMEJPSZLL-UHFFFAOYSA-N	Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12	11281930		1	NB2016_GPCR	0.43	0	0	1	100%	0
VLTNUYNTYZRWQD-UHFFFAOYSA-N	Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12	23646936		1	NB2016_GPCR	-0.25	0	0	1	100%	0
QBXPWMMWFOWEJN-UHFFFAOYSA-N	Cl.COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1	57391096		1	NB2016_GPCR	0.05	0	0	1	100%	0
LSVIBAPJYUUVJJ-UHFFFAOYSA-N	Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12	23646938		1	NB2016_GPCR	1.95	0	0	1	100%	0
FUQAHBLEGDXXKS-UHFFFAOYSA-N	CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	6539599		1	NB2016_GPCR	0.16	0	0	1	100%	0
UJERGWSOAWHUAX-UHFFFAOYSA-N	Fc1ccc(F)c(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	6539603		1	NB2016_GPCR	0.13	0	0	1	100%	0
XMBGRSAVBPRZAS-UHFFFAOYSA-N	O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1	6539593		1	NB2016_GPCR	-0.92	0	0	1	100%	0
FXJZPZMEETZHRB-UHFFFAOYSA-N	Fc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	6539607		1	NB2016_GPCR	-0.37	0	0	1	100%	0
AXXSVTAXFAAJTE-UHFFFAOYSA-N	NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	6539598		1	NB2016_GPCR	-0.18	0	0	1	100%	0
ZZTJLVZEYMOZSD-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1	6539597		1	NB2016_GPCR	-0.22	0	0	1	100%	0
CFMHJOOAJUEZAN-UHFFFAOYSA-N	COc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1	6539567		1	NB2016_GPCR	1.99	0	0	1	100%	0
BSHCILRNXWKQAL-UHFFFAOYSA-N	CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12	135435015		1	NB2016_GPCR	1.49	0	0	1	100%	0
GVYKLTFFLMMUEN-UHFFFAOYSA-N	Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1	6539611		1	NB2016_GPCR	0.07	0	0	1	100%	0
VNVKSDCWJDOWNE-UHFFFAOYSA-N	Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br	135435011		1	NB2016_GPCR	-0.74	0	0	1	100%	0
IZHQZRNVMNTCAO-LREBCSMRSA-N	O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1	56604026		1	NB2016_GPCR	-0.11	0	0	1	100%	0
FJINJXZTEKDFRA-UHFFFAOYSA-N	O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1	6539592		1	NB2016_GPCR	-0.13	0	0	1	100%	0
DUZCSXXJVYCEKF-UHFFFAOYSA-N	Cl.NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1	57403318		1	NB2016_GPCR	-0.84	0	0	1	100%	0
OXDOLEPGFYPERU-UHFFFAOYSA-N	OCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1	9951300		1	NB2016_GPCR	0.5	0	0	1	100%	0
LBPKYPYHDKKRFS-UHFFFAOYSA-N	Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1	449054		1	NB2016_GPCR	0.2	0	0	1	100%	0
JVXFJMXCRSAZFH-UHFFFAOYSA-N	Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1	11473228		1	NB2016_GPCR	0.1	0	0	1	100%	0
WDANXJFHYRXNLL-UHFFFAOYSA-N	Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccc(F)cc1	11290221		1	NB2016_GPCR	-1.05	0	0	1	100%	0
NQQBKOGAKSBCSI-UHFFFAOYSA-N	Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccccn1	9922527		1	NB2016_GPCR	-3.19	0	0	1	100%	0
IWKYADYEFPLAEG-UHFFFAOYSA-N	CC(=O)NCc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	11605761		1	NB2016_GPCR	-2.39	0	0	1	100%	0
QTJJFCPBQRQZAR-UHFFFAOYSA-N	Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccc3)cc2Cl)c1	11502866		1	NB2016_GPCR	0.98	0	0	1	100%	0
WRXRFFUVXFNKGG-UHFFFAOYSA-N	Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	11640889		1	NB2016_GPCR	-9.13	0	0	1	100%	0
KHQLMFFPQINCMZ-UHFFFAOYSA-N	CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	11656050		1	NB2016_GPCR	-2.47	0	0	1	100%	0
CNRXAYAWNNSNLT-UHFFFAOYSA-N	CC(=O)Nc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	11627264		1	NB2016_GPCR	-0.13	0	0	1	100%	0
KOOYTOMPIPMGEP-UHFFFAOYSA-N	CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1	44410704		1	NB2016_GPCR	-7.19	0	0	1	100%	0
WTBQHGKQMCKGNX-UHFFFAOYSA-N	Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12	44431824		1	NB2016_GPCR	-0.77	0	0	1	100%	0
WQGDQGAFSDMBLA-UHFFFAOYSA-N	O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12	766949		1	NB2016_GPCR	0.03	0	0	1	100%	0
KTBZRPANEUUZDW-UHFFFAOYSA-N	O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12	16664858		1	NB2016_GPCR	0.22	0	0	1	100%	0
GLZXTMBTCQJTRD-UHFFFAOYSA-N	OC(=O)C(O)=O.O=C(CN1CCOCC1)Nc1sc2CCCCc2c1C#N	16236469		1	NB2016_GPCR	-0.6	0	0	1	100%	0
YVYPYORTKAIUGJ-UHFFFAOYSA-N	Fc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N	766948		1	NB2016_GPCR	-1.81	0	0	1	100%	0
INRJBVLMKPWSHK-UHFFFAOYSA-N	NC(=O)c1cc(cc(-c2ccncc2)c1N)-c1ccc(F)cc1	16048303		1	NB2016_GPCR	-1.1	0	0	1	100%	0
KDDJEKWJEFRYAO-UHFFFAOYSA-N	NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1	16048415		1	NB2016_GPCR	-1.58	0	0	1	100%	0
PGMGCWOOCLJXIF-UHFFFAOYSA-N	COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O	25190926		1	NB2016_GPCR	0.28	0	0	1	100%	0
QEYUQXQAUUYZDC-UHFFFAOYSA-N	COc1ccc(cc1C(N)=O)-c1ccncc1	25190924		1	NB2016_GPCR	-0.67	0	0	1	100%	0
UZFISAOOMRYRDS-UHFFFAOYSA-N	CNC(=O)c1cc(cc(-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1N)-c1ccc(F)cc1	25190921		1	NB2016_GPCR	-0.63	0	0	1	100%	0
WGNQUKSMRNUEGI-UHFFFAOYSA-N	CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1	16048194		1	NB2016_GPCR	-0.67	0	0	1	100%	0
OYNBTBJATZVIGH-UHFFFAOYSA-N	CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1	11751266		1	NB2016_GPCR	0.72	0	0	1	100%	0
HEAIGWIZTYAQTC-UHFFFAOYSA-N	CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1	11233873		1	NB2016_GPCR	-0.16	0	0	1	100%	0
ODLNBFNBEPOFNC-UHFFFAOYSA-N	CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1	11269477		1	NB2016_GPCR	0.65	0	0	1	100%	0
HKWUUOHQLQALHL-UHFFFAOYSA-N	Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12	11453116		1	NB2016_GPCR	-2.04	0	0	1	100%	0
RHTXWIKPNGROHZ-UHFFFAOYSA-N	CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1	11247002		1	NB2016_GPCR	-1.45	0	0	1	100%	0
VTWIDKVFGFLBGO-UHFFFAOYSA-N	CC1=C(C(N=C(N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1	11569498		1	NB2016_GPCR	-2.07	0	0	1	100%	0
CEWYEPGTYHBUBR-UHFFFAOYSA-N	Cl.CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1	57400545		1	NB2016_GPCR	-2.16	0	0	1	100%	0
MQRCCAOSEHKWFF-UHFFFAOYSA-N	OC(=O)C(F)(F)F.O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1	57400541		1	NB2016_GPCR	-1.77	0	0	1	100%	0
ATFZVKCMRYDMIW-UHFFFAOYSA-N	Cl.CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F	57398861		1	NB2016_GPCR	-1.5	0	0	1	100%	0
QVUJFGWIMPTAEH-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(O)c(F)c2)cc1	135435019		1	NB2016_GPCR	0.11	0	0	1	100%	0
PVLOKYREDKFWTF-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1	6539620		1	NB2016_GPCR	-0.8	0	0	1	100%	0
UEIAWDHXOBFRSL-UHFFFAOYSA-N	Cl.NS(=O)(=O)c1cccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)c1	57393604		1	NB2016_GPCR	-0.06	0	0	1	100%	0
FGUYNCHKIOFPMS-UHFFFAOYSA-N	COc1cc(Nc2ncc3c(C)nc(-c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC	11328632		1	NB2016_GPCR	-3.1	0	0	1	100%	0
IFOFHKDVJCOAMH-UHFFFAOYSA-N	Cc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12	44589696		1	NB2016_GPCR	-0.14	0	0	1	100%	0
BVHZLDLRNBQWRF-UHFFFAOYSA-N	Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O	9927432		1	NB2016_GPCR	1.77	0	0	1	100%	0
OSKOUNNDHHFTQP-UHFFFAOYSA-N	Cl.Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1ccccn1	44532204		1	NB2016_GPCR	-0.19	0	0	1	100%	0
WFQYBHCSVMMJEF-UHFFFAOYSA-N	NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1	42618163		1	NB2016_GPCR	0.96	0	0	1	100%	0
KKMQKOWAGAPQDL-UHFFFAOYSA-N	NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1	42618164		1	NB2016_GPCR	1	0	0	1	100%	0
MYQAUKPBNJWPIE-UHFFFAOYSA-N	O(c1c(OC)cc(Cc2c(nc(nc2)N)N)cc1)Cc1ccc(OC)cc1	11617559		1	NB2016_GPCR	-0.88	0	0	1	100%	0