C=CCn1c(N)cc(=O)n(CC)c1=O	ZINC000000000921	20/84/27/166208427	NGXUUAFYUCOICP-UHFFFAOYSA-N	0	195.222	AB	-0.202	0	Mild	ref	ABEARN	C=CCn1c(N)cc(=O)n(CC)c1=O	in-man
Nc1ccc(S(N)(=O)=O)cc1	ZINC000000002101	29/35/25/169293525	FDDDEECHVMSUSB-UHFFFAOYSA-N	0	172.209	AB	-0.084	0	Anodyne	ref	ABAARN	Nc1ccc(S(N)(=O)=O)cc1	fda
CC(=O)n1cc(C)c(=O)[nH]c1=O	ZINC000000011019	33/69/75/166336975	YBXJEAPQVULNKE-UHFFFAOYSA-N	0	168.152	AB	-0.495	0	Anodyne	ref	ABAARN	CC(=O)n1cc(C)c(=O)[nH]c1=O	 
CC(=O)Nn1c(C)nnc1C	ZINC000000039528	28/68/43/166286843	QXEHROVAQPFVKV-UHFFFAOYSA-N	0	154.173	AB	-0.015	0	Anodyne	ref	ABAARN	CC(=O)Nn1c(C)nnc1C	 
CNc1cc(=O)n(C)c(=O)n1C	ZINC000000083183	06/28/98/168062898	GODMOSKRIMMTBE-UHFFFAOYSA-N	0	169.184	AB	-0.874	0	Anodyne	ref	ABAARN	CNc1cc(=O)n(C)c(=O)n1C	 
COC(=O)c1nccnc1N	ZINC000000108965	13/79/86/168137986	INCSQLZZXBPATR-UHFFFAOYSA-N	0	153.141	AB	-0.155	0	Anodyne	ref	ABAARN	COC(=O)c1nccnc1N	in-vitro
O=c1[nH]c2cccnc2[nH]c1=O	ZINC000000132866	27/03/60/351270360	ZTCJWOFMAWQWRD-UHFFFAOYSA-N	0	163.136	AB	-0.389	0	Anodyne	ref	ABAARN	O=c1[nH]c2cccnc2[nH]c1=O	 
NC(=O)c1ccc[n+]([O-])c1	ZINC000000152802	92/85/63/342928563	USSFUVKEHXDAPM-UHFFFAOYSA-N	0	138.126	AB	-0.581	0	Anodyne	ref	ABAARN	NC(=O)c1ccc[n+]([O-])c1	in-man endogenous
O=c1[nH]c(O)nc2nccnc12	ZINC000000155664	27/16/59/351271659	UYEUUXMDVNYCAM-UHFFFAOYSA-N	0	164.124	AB	-0.581	2	Anodyne	low	ABAALN	O=c1nc2[nH]ccnc-2c(=O)[nH]1	in-vitro
O=c1[nH]c(O)nc2nccnc12	ZINC000000155664	27/16/56/351271656	UYEUUXMDVNYCAM-UHFFFAOYSA-N	-1	164.124	AB	-0.581	0	Anodyne	ref	ABAARM	O=c1nc2[nH]ccnc-2c(=O)[n-]1	in-vitro
Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000000162484	93/00/25/342930025	SHVCSCWHWMSGTE-UHFFFAOYSA-N	0	126.115	AB	-0.628	0	Anodyne	ref	ABAARN	Cc1cc(=O)[nH]c(=O)[nH]1	in-vitro
Cn1ccc(=O)n(C)c1=O	ZINC000000163290	04/45/61/169044561	JSDBKAHWADVXFU-UHFFFAOYSA-N	0	140.142	AB	-0.916	0	Anodyne	ref	ABAARN	Cn1ccc(=O)n(C)c1=O	in-man endogenous
N#Cc1cncnc1N	ZINC000000165356	13/00/66/169130066	JAIYUIOGVNRXEW-UHFFFAOYSA-N	0	120.115	AB	-0.07	0	Mild	ref	ABEARN	N#Cc1cncnc1N	 
Cn1ncc(C#N)c1N	ZINC000000169364	06/24/78/169062478	MZFBWODPTSTYAI-UHFFFAOYSA-N	0	122.131	AB	-0.126	0	Mild	ref	ABEARN	Cn1ncc(C#N)c1N	in-vitro
COc1nc(C)nc(N)n1	ZINC000000193078	28/28/24/168282824	NXFQWRWXEYTOTK-UHFFFAOYSA-N	0	140.146	AB	-0.229	0	Anodyne	ref	ABAARN	COc1nc(C)nc(N)n1	in-vitro
Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	ZINC000000198862	93/16/08/342931608	OSTDULKDQDIIKB-UHFFFAOYSA-N	0	199.166	AB	-0.699	0	Bother	ref	ABBARN	Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	 
Cc1cn(C)c(=O)n(C)c1=O	ZINC000000246220	93/20/52/342932052	BHWQEVXICGSHEW-UHFFFAOYSA-N	0	154.169	AB	-0.608	0	Anodyne	ref	ABAARN	Cc1cn(C)c(=O)n(C)c1=O	 
C[C@H](O)C(=O)N(C)C	ZINC000000330225	93/32/56/342933256	YEBLAXBYYVCOLT-BYPYZUCNSA-N	0	117.148	AB	-0.545	0	Anodyne	ref	ABAARN	C[C@H](O)C(=O)N(C)C	 
C[C@@H](O)C(=O)N(C)C	ZINC000000330226	38/73/14/168387314	YEBLAXBYYVCOLT-SCSAIBSYSA-N	0	117.148	AB	-0.545	0	Anodyne	ref	ABAARN	C[C@@H](O)C(=O)N(C)C	 
Cn1c(=O)c2nccnc2n(C)c1=O	ZINC000000330374	02/91/01/169029101	LMXZVISHHDYBFW-UHFFFAOYSA-N	0	192.178	AB	-0.973	0	Anodyne	ref	ABAARN	Cn1c(=O)c2nccnc2n(C)c1=O	 
CCc1c(N)n(C)c(=O)[nH]c1=O	ZINC000000330387	93/33/40/342933340	ADUJRDKUIDXSOA-UHFFFAOYSA-N	0	169.184	AB	-0.782	0	Anodyne	ref	ABAARN	CCc1c(N)n(C)c(=O)[nH]c1=O	 
CC(C)c1c(N)n(C)c(=O)[nH]c1=O	ZINC000000330388	93/32/95/342933295	VHIIHMVPFGNIEN-UHFFFAOYSA-N	0	183.211	AB	-0.221	0	Anodyne	ref	ABAARN	CC(C)c1c(N)n(C)c(=O)[nH]c1=O	 
CCCc1c(N)n(C)c(=O)[nH]c1=O	ZINC000000330390	09/94/26/167099426	RHPXPZJBVXDNFD-UHFFFAOYSA-N	0	183.211	AB	-0.392	0	Anodyne	ref	ABAARN	CCCc1c(N)n(C)c(=O)[nH]c1=O	 
CCCc1c(N)[nH]c(=O)[nH]c1=O	ZINC000000330393	10/05/10/167100510	NCULTSSVNKTAEK-UHFFFAOYSA-N	-1	169.184	AB	-0.402	3	Anodyne	high	ABAAHM	CCCc1c(N)[nH]c(=O)[n-]c1=O	 
CCCc1c(N)[nH]c(=O)[nH]c1=O	ZINC000000330393	10/05/06/167100506	NCULTSSVNKTAEK-UHFFFAOYSA-N	0	169.184	AB	-0.402	0	Anodyne	ref	ABAARN	CCCc1c(N)[nH]c(=O)[nH]c1=O	 
CCCc1c(N)n(C)c(=O)n(C)c1=O	ZINC000000330398	10/12/85/167101285	ATYLTFZYDCZYPO-UHFFFAOYSA-N	0	197.238	AB	-0.381	0	Anodyne	ref	ABAARN	CCCc1c(N)n(C)c(=O)n(C)c1=O	 
CC(C)Cn1c(N)cc(=O)n(C)c1=O	ZINC000000330399	93/31/88/342933188	LWFXPSLZADQSSL-UHFFFAOYSA-N	0	197.238	AB	-0.215	0	Anodyne	ref	ABAARN	CC(C)Cn1c(N)cc(=O)n(C)c1=O	in-vitro
CN(C)c1cc(=O)n(C)c(=O)[nH]1	ZINC000000330406	93/32/40/342933240	RQQOFQSAYCUIRM-UHFFFAOYSA-N	0	169.184	AB	-0.86	0	Anodyne	ref	ABAARN	CN(C)c1cc(=O)n(C)c(=O)[nH]1	 
CCCn1c(NC)cc(=O)n(C)c1=O	ZINC000000330407	11/84/86/167118486	QGAYAUKJYWGIKR-UHFFFAOYSA-N	0	197.238	AB	-0.001	0	Anodyne	ref	ABAARN	CCCn1c(NC)cc(=O)n(C)c1=O	 
CC(=O)Nc1cc(=O)n(C)cn1	ZINC000000330426	99/36/79/170993679	BJBFVPDEDOMXLC-UHFFFAOYSA-N	0	167.168	AB	-0.261	0	Anodyne	ref	ABAARN	CC(=O)Nc1cc(=O)n(C)cn1	 
CC(=O)Nc1cc(=O)[nH]cn1	ZINC000000330427	93/32/28/342933228	GTUCATITETZKHI-UHFFFAOYSA-N	-1	153.141	AB	-0.272	3	Anodyne	high	ABAAHM	CC(=O)Nc1cc(=O)[n-]cn1	 
CC(=O)Nc1cc(=O)[nH]cn1	ZINC000000330427	93/32/27/342933227	GTUCATITETZKHI-UHFFFAOYSA-N	0	153.141	AB	-0.272	0	Anodyne	ref	ABAARN	CC(=O)Nc1cc(=O)[nH]cn1	 
COc1nc(N)c(C)c(=O)[nH]1	ZINC000000330428	28/42/77/168284277	DILVNUOJCLGZGG-UHFFFAOYSA-N	0	155.157	AB	-0.331	1	Anodyne	mid	ABAAMN	COc1nc(N)c(C)c(=O)[nH]1	 
COc1nc(N)c(C)c(=O)[nH]1	ZINC000000330428	28/42/74/168284274	DILVNUOJCLGZGG-UHFFFAOYSA-N	-1	155.157	AB	-0.331	0	Anodyne	ref	ABAARM	COc1nc(N)c(C)c(=O)[n-]1	 
CC(C)c1c(O)n(C)c(=O)n(C)c1=O	ZINC000000330492	93/32/24/342933224	FMMYGZRBEMTTMJ-UHFFFAOYSA-N	0	198.222	AB	-0.087	1	Anodyne	mid	ABAAMN	CC(C)c1c(O)n(C)c(=O)n(C)c1=O	 
CC(C)c1c(O)n(C)c(=O)n(C)c1=O	ZINC000000330492	93/32/22/342933222	FMMYGZRBEMTTMJ-UHFFFAOYSA-N	-1	198.222	AB	-0.087	0	Anodyne	ref	ABAARM	CC(C)c1c([O-])n(C)c(=O)n(C)c1=O	 
CSc1nc(N)c(N)c(=O)n1C	ZINC000000330501	31/43/86/168314386	DKIXTKJRMXEYST-UHFFFAOYSA-N	0	186.24	AB	-0.333	0	Anodyne	ref	ABAARN	CSc1nc(N)c(N)c(=O)n1C	in-vitro
CNc1c(C(N)=O)ncn1C	ZINC000000330546	06/32/32/168063232	OKNMFEWYZCHBRJ-UHFFFAOYSA-N	0	154.173	AB	-0.439	0	Anodyne	ref	ABAARN	CNc1c(C(N)=O)ncn1C	 
Cn1cnc2c(N)ncnc21	ZINC000000330548	05/62/46/169056246	WRXCXOUDSPTXNX-UHFFFAOYSA-N	0	149.157	AB	-0.055	0	Anodyne	ref	ABAARN	Cn1cnc2c(N)ncnc21	biogenic in-vivo
Cc1c[nH]c(=O)n(C)c1=O	ZINC000000330578	93/32/57/342933257	IIDONYMEGWHGRU-UHFFFAOYSA-N	0	140.142	AB	-0.618	0	Anodyne	ref	ABAARN	Cc1c[nH]c(=O)n(C)c1=O	in-vitro
Cn1cnccc1=O	ZINC000000330833	05/78/30/169057830	PSXLJUKMMIHADB-UHFFFAOYSA-N	0	110.116	AB	-0.22	0	Anodyne	ref	ABAARN	Cn1cnccc1=O	 
COc1ccc[n+]([O-])n1	ZINC000000330846	77/58/76/537775876	KGNNVJIJXBMLAE-UHFFFAOYSA-N	0	126.115	AB	-0.276	0	Anodyne	ref	ABAARN	COc1ccc[n+]([O-])n1	 
C[n+]1ccnc(N)c1	ZINC000000330859	69/60/46/168696046	IWERHAXLPTVRIM-UHFFFAOYSA-N	1	110.14	AB	-0.512	0	Anodyne	ref	ABAARO	C[n+]1ccnc(N)c1	 
Cn1c(=O)cc(Cl)c(=O)n1C	ZINC000000330917	03/02/88/169030288	QHRCWWQJEBEVQT-UHFFFAOYSA-N	0	174.587	AB	-0.263	0	Anodyne	ref	ABAARN	Cn1c(=O)cc(Cl)c(=O)n1C	 
Cn1ccc[n+](C)c1=O	ZINC000000330946	04/87/22/169048722	QDZAJCFWURBYNZ-UHFFFAOYSA-N	1	125.151	AB	-0.79	0	Anodyne	ref	ABAARO	Cn1ccc[n+](C)c1=O	 
Cn1c[n+](C)ccc1=O	ZINC000000330949	03/53/60/169035360	YYQWEKKIEFMPFO-UHFFFAOYSA-N	1	125.151	AB	-0.79	0	Anodyne	ref	ABAARO	Cn1c[n+](C)ccc1=O	 
CNc1cc(=O)n(C)c(=O)[nH]1	ZINC000000330957	06/23/85/168062385	PUQLJAGFHRVOCH-UHFFFAOYSA-N	0	155.157	AB	-0.885	0	Anodyne	ref	ABAARN	CNc1cc(=O)n(C)c(=O)[nH]1	 
CC[n+]1ccnc(N)c1	ZINC000000330959	93/36/65/342933665	FFRUJCRRVGNUCL-UHFFFAOYSA-N	1	124.167	AB	-0.029	0	Anodyne	ref	ABAARO	CC[n+]1ccnc(N)c1	 
O=C(O)COn1ccc(=O)cc1	ZINC000000331000	34/17/90/169341790	URZCAFPZLHTWHL-UHFFFAOYSA-N	-1	169.136	AB	-0.639	0	Anodyne	ref	ABAARM	O=C([O-])COn1ccc(=O)cc1	 
C[n+]1ccc(C(N)=O)cc1	ZINC000000331024	93/36/05/342933605	BCTLSNNPGPZRTC-UHFFFAOYSA-O	1	137.162	AB	-0.39	0	Anodyne	ref	ABAARO	C[n+]1ccc(C(N)=O)cc1	 
Cc1cc[n+](C)cc1C(N)=O	ZINC000000331110	93/36/96/342933696	UFUZVBSTGVYYHO-UHFFFAOYSA-O	1	151.189	AB	-0.082	0	Anodyne	ref	ABAARO	Cc1cc[n+](C)cc1C(N)=O	 
O=C(O)CO[n+]1ccccc1O	ZINC000000331590	34/24/98/169342498	TZNUVGQOTGRTLQ-UHFFFAOYSA-O	-1	170.144	AB	-0.807	0	Anodyne	ref	ABAARM	O=C([O-])COn1ccccc1=O	 
Cc1nc(N)cc(N)n1	ZINC000000331868	93/35/17/342933517	LMKVISRKRWWZIS-UHFFFAOYSA-N	0	124.147	AB	-0.051	3	Anodyne	high	ABAAHN	Cc1nc(N)cc(N)n1	 
Cc1nc(N)cc(N)n1	ZINC000000331868	93/35/15/342933515	LMKVISRKRWWZIS-UHFFFAOYSA-N	1	124.147	AB	-0.051	0	Anodyne	ref	ABAARO	Cc1nc(N)cc(N)[nH+]1	 
COc1ccc(OC)[n+]([O-])n1	ZINC000000331897	99/40/12/170994012	UGYUYAXKYLZYFT-UHFFFAOYSA-N	0	156.141	AB	-0.268	0	Anodyne	ref	ABAARN	COc1ccc(OC)[n+]([O-])n1	 
O=C(O)Cn1ccc(=O)cc1	ZINC000000331912	34/50/33/169345033	PWCMMIXFOFNOAZ-UHFFFAOYSA-N	-1	153.137	AB	-0.067	0	Anodyne	ref	ABAARM	O=C([O-])Cn1ccc(=O)cc1	 
CC[n+]1cccn(C)c1=O	ZINC000000331938	93/36/98/342933698	CVTHHOBUUCLWKL-UHFFFAOYSA-N	1	139.178	AB	-0.307	0	Anodyne	ref	ABAARO	CC[n+]1cccn(C)c1=O	 
N#Cc1cnc2[nH]ccn2c1=O	ZINC000000332102	12/85/60/169128560	RDKZGJUAUBVUBZ-UHFFFAOYSA-N	0	160.136	AB	-0.106	0	Mild	ref	ABEARN	N#Cc1cnc2[nH]ccn2c1=O	 
Nc1nc2ncccc2c(=O)[nH]1	ZINC000000332244	30/82/81/169308281	JXYNHGDZJFQCAX-UHFFFAOYSA-N	0	162.152	AB	-0.1	0	Anodyne	ref	ABAARN	Nc1nc2ncccc2c(=O)[nH]1	 
Nc1ccc[n+]([O-])c1	ZINC000000332642	29/54/93/169295493	ZGIBIGDAAQIUKA-UHFFFAOYSA-N	0	110.116	AB	-0.098	0	Anodyne	ref	ABAARN	Nc1ccc[n+]([O-])c1	 
NC(=O)c1cncnc1N	ZINC000000332913	93/35/08/342933508	LHRPKQMNCPCVQL-UHFFFAOYSA-N	0	138.13	AB	-0.842	0	Anodyne	ref	ABAARN	NC(=O)c1cncnc1N	 
Cc1c(N)nc(=O)[nH]c1F	ZINC000000333479	93/40/31/342934031	HDJMGUFFERYJMB-UHFFFAOYSA-N	0	143.121	AB	-0.2	1	Anodyne	mid	ABAAMN	Cc1c(N)nc(=O)[nH]c1F	 
Cc1c(N)nc(=O)[nH]c1F	ZINC000000333479	93/40/29/342934029	HDJMGUFFERYJMB-UHFFFAOYSA-N	-1	143.121	AB	-0.2	0	Anodyne	ref	ABAARM	Cc1c(N)nc(=O)[n-]c1F	 
Cn1c(Cl)cc(=O)n(C)c1=O	ZINC000000333864	03/21/73/169032173	VATQPUHLFQHDBD-UHFFFAOYSA-N	0	174.587	AB	-0.263	0	Anodyne	ref	ABAARN	Cn1c(Cl)cc(=O)n(C)c1=O	 
Cc1cc(=O)n(N)c(=S)[nH]1	ZINC000000334003	93/40/78/342934078	QDBDPKWUCLBWQU-UHFFFAOYSA-N	0	157.198	AB	-0.072	0	Anodyne	ref	ABAARN	Cc1cc(=O)n(N)c(=S)[nH]1	 
O=C(O)CC(CC(=O)O)C(=O)O	ZINC000000334493	93/39/51/342933951	KQTIIICEAUMSDG-UHFFFAOYSA-N	-3	176.124	AB	-0.363	0	Anodyne	ref	ABAARL	O=C([O-])CC(CC(=O)[O-])C(=O)[O-]	in-man endogenous
O=C1NC(=O)c2ncccc21	ZINC000000334954	38/53/36/169385336	ZRKGTINFVOLLNT-UHFFFAOYSA-N	0	148.121	AB	-0.035	1	Anodyne	mid	ABAAMN	O=C1NC(=O)c2ncccc21	in-vitro
O=C1NC(=O)c2ncccc21	ZINC000000334954	38/53/35/169385335	ZRKGTINFVOLLNT-UHFFFAOYSA-N	-1	148.121	AB	-0.035	0	Anodyne	ref	ABAARM	O=C1[N-]C(=O)c2ncccc21	in-vitro
NC(=O)c1cccc[n+]1[O-]	ZINC000000334955	93/40/36/342934036	XKWOLIYQEGUHBU-UHFFFAOYSA-N	0	138.126	AB	-0.581	0	Anodyne	ref	ABAARN	NC(=O)c1cccc[n+]1[O-]	 
Cc1ccc[n+]([O-])c1S(N)(=O)=O	ZINC000000334961	93/40/59/342934059	SRIVSUNITSLKTI-UHFFFAOYSA-N	0	188.208	AB	-0.724	0	Anodyne	ref	ABAARN	Cc1ccc[n+]([O-])c1S(N)(=O)=O	 
CCNC(=O)N1CCN(C(C)=O)CC1	ZINC000000334965	24/00/91/167240091	DXJHUMXFQJQTMZ-UHFFFAOYSA-N	0	199.254	AB	-0.12	0	Anodyne	ref	ABAARN	CCNC(=O)N1CCN(C(C)=O)CC1	 
Nc1nc2ccccc2n[n+]1[O-]	ZINC000000335263	30/84/05/169308405	ZHMQCQMZYRDHHK-UHFFFAOYSA-N	0	162.152	AB	-0.155	0	Anodyne	ref	ABAARN	Nc1nc2ccccc2n[n+]1[O-]	 
Cc1ncc(CN)c(N)n1	ZINC000000336542	93/38/83/342933883	OZOHTVFCSKFMLL-UHFFFAOYSA-N	0	138.174	AB	-0.174	3	Anodyne	high	ABAAHN	Cc1ncc(CN)c(N)n1	in-vivo
Cc1ncc(CN)c(N)n1	ZINC000000336542	93/38/81/342933881	OZOHTVFCSKFMLL-UHFFFAOYSA-N	1	138.174	AB	-0.174	0	Anodyne	ref	ABAARO	Cc1ncc(C[NH3+])c(N)n1	in-vivo
COc1c[nH]c(=O)[nH]c1=O	ZINC000000336570	22/66/09/168226609	KELXHQACBIUYSE-UHFFFAOYSA-N	-1	142.114	AB	-0.928	3	Anodyne	high	ABAAHM	COc1c[nH]c(=O)[n-]c1=O	in-vitro
COc1c[nH]c(=O)[nH]c1=O	ZINC000000336570	22/66/06/168226606	KELXHQACBIUYSE-UHFFFAOYSA-N	0	142.114	AB	-0.928	0	Anodyne	ref	ABAARN	COc1c[nH]c(=O)[nH]c1=O	in-vitro
O=CN[C@H](CO)C(=O)c1ccccc1	ZINC000000336797	39/83/01/169398301	LWTQCKLYLYZHCO-SECBINFHSA-N	0	193.202	AB	-0.024	0	Anodyne	ref	ABAARN	O=CN[C@H](CO)C(=O)c1ccccc1	 
O=CN[C@@H](CO)C(=O)c1ccccc1	ZINC000000336798	39/90/08/169399008	LWTQCKLYLYZHCO-VIFPVBQESA-N	0	193.202	AB	-0.024	0	Anodyne	ref	ABAARN	O=CN[C@@H](CO)C(=O)c1ccccc1	 
O=C(O)Cn1ccccc1=O	ZINC000000336881	34/51/92/169345192	VMONVJKJUDZYIE-UHFFFAOYSA-N	-1	153.137	AB	-0.067	0	Anodyne	ref	ABAARM	O=C([O-])Cn1ccccc1=O	 
COc1cn[nH]c(=O)c1	ZINC000000337136	28/02/39/168280239	NRILSJUKEHQBLU-UHFFFAOYSA-N	0	126.115	AB	-0.221	0	Anodyne	ref	ABAARN	COc1cn[nH]c(=O)c1	 
OCc1nc[nH]c1CO	ZINC000000337668	27/63/68/351276368	AGJXDKGTTMVHOU-UHFFFAOYSA-N	0	128.131	AB	-0.606	0	Anodyne	ref	ABAARN	OCc1nc[nH]c1CO	 
Cn1c(=N)c2nccnc2n(C)c1=O	ZINC000000337841	02/92/90/169029290	SDPGJFJYCKSSMW-UHFFFAOYSA-N	0	191.194	AB	-0.854	0	Anodyne	ref	ABAARN	Cn1c(=N)c2nccnc2n(C)c1=O	 
COc1nc(=O)n(C)c2nccnc12	ZINC000000337848	28/28/96/168282896	FJCHXPYOOBDLBY-UHFFFAOYSA-N	0	192.178	AB	-0.268	0	Anodyne	ref	ABAARN	COc1nc(=O)n(C)c2nccnc12	 
Cc1cnc2c(N)nc(N)nc2n1	ZINC000000339477	90/85/63/168908563	CECXILQSXHHKTG-UHFFFAOYSA-N	0	176.183	AB	-0.107	0	Anodyne	ref	ABAARN	Cc1cnc2c(N)nc(N)nc2n1	 
O=C1NC(=O)c2cnccc21	ZINC000000389518	38/46/11/169384611	SJSABZBUTDSWMJ-UHFFFAOYSA-N	-1	148.121	AB	-0.035	1	Anodyne	mid	ABAAMM	O=C1[N-]C(=O)c2cnccc21	 
O=C1NC(=O)c2cnccc21	ZINC000000389518	38/46/10/169384610	SJSABZBUTDSWMJ-UHFFFAOYSA-N	0	148.121	AB	-0.035	0	Anodyne	ref	ABAARN	O=C1NC(=O)c2cnccc21	 
Cc1cc(N)c(=O)[nH]n1	ZINC000000391334	93/63/25/342936325	CHXJEGAWOLOLIO-UHFFFAOYSA-N	0	125.131	AB	-0.339	0	Anodyne	ref	ABAARN	Cc1cc(N)c(=O)[nH]n1	 
N#Cc1cnc(N)nc1N	ZINC000000393991	12/94/24/169129424	OYUQCQCQLDTRHQ-UHFFFAOYSA-N	0	135.13	AB	-0.487	0	Mild	ref	ABEARN	N#Cc1cnc(N)nc1N	in-vitro
NC(=O)N1CCOCC1	ZINC000000394092	15/63/36/169156336	ZKWFSTHEYLJLEL-UHFFFAOYSA-N	0	130.147	AB	-0.603	0	Anodyne	ref	ABAARN	NC(=O)N1CCOCC1	 
Cc1[nH]c(=O)[nH]c(=O)c1C=O	ZINC000000497338	94/00/70/342940070	VOXFLZILKSTBGC-UHFFFAOYSA-N	-1	154.125	AB	-0.816	3	Anodyne	high	ABAAHM	Cc1[nH]c(=O)[n-]c(=O)c1C=O	 
Cc1[nH]c(=O)[nH]c(=O)c1C=O	ZINC000000497338	94/00/69/342940069	VOXFLZILKSTBGC-UHFFFAOYSA-N	0	154.125	AB	-0.816	0	Anodyne	ref	ABAARN	Cc1[nH]c(=O)[nH]c(=O)c1C=O	 
O=c1[nH]c(O)nc2ncncc12	ZINC000000525630	28/08/46/351280846	DWFPZDNYWVYUMK-UHFFFAOYSA-N	0	164.124	AB	-0.581	2	Anodyne	low	ABAALN	O=c1nc2nc[nH]cc-2c(=O)[nH]1	 
O=c1[nH]c(O)nc2ncncc12	ZINC000000525630	28/08/28/351280828	DWFPZDNYWVYUMK-UHFFFAOYSA-N	-1	164.124	AB	-0.581	0	Anodyne	ref	ABAARM	O=c1nc2nc[nH]cc-2c(=O)[n-]1	 
O=c1c2cncn2c(=O)c2cncn12	ZINC000000730497	94/12/62/342941262	UYAAVKFHBMJOJZ-UHFFFAOYSA-N	0	188.146	AB	-0.86	0	Anodyne	ref	ABAARN	O=c1c2cncn2c(=O)c2cncn12	 
O=c1cc[nH]c(=O)[nH]1	ZINC000000895045	28/16/88/351281688	ISAKRJDGNUQOIC-UHFFFAOYSA-N	-1	112.088	AB	-0.937	3	Anodyne	high	ABAAHM	O=c1cc[nH]c(=O)[n-]1	in-man endogenous
O=c1cc[nH]c(=O)[nH]1	ZINC000000895045	28/16/71/351281671	ISAKRJDGNUQOIC-UHFFFAOYSA-N	0	112.088	AB	-0.937	0	Anodyne	ref	ABAARN	O=c1cc[nH]c(=O)[nH]1	in-man endogenous
NCCN1C(=O)CSC1=O	ZINC000000966761	18/67/82/169186782	PSJIYWXYXJTRRY-UHFFFAOYSA-N	1	160.198	AB	-0.359	0	Anodyne	ref	ABAARO	[NH3+]CCN1C(=O)CSC1=O	 
COc1nnc(NN)c2[nH]nnc12	ZINC000000967198	29/06/36/168290636	SODDELWMUYXCBG-UHFFFAOYSA-N	0	181.159	AB	-0.958	0	Anodyne	ref	ABAARN	COc1[n-][nH+]c(NN)c2nnnc1-2	 
Cc1cc(C[C@H](N)C(=O)O)on1	ZINC000000967232	75/79/31/168757931	ZVQYDFQJRNUCEW-LURJTMIESA-N	0	170.168	AB	-0.063	0	Anodyne	ref	ABABRN	Cc1cc(C[C@H]([NH3+])C(=O)[O-])on1	 
Cc1cc(C[C@@H](N)C(=O)O)on1	ZINC000000967233	94/24/51/342942451	ZVQYDFQJRNUCEW-ZCFIWIBFSA-N	0	170.168	AB	-0.063	0	Anodyne	ref	ABABRN	Cc1cc(C[C@@H]([NH3+])C(=O)[O-])on1