Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O	ZINC000000182957	93/11/91/342931191	GFWWREGOTNQVGC-UHFFFAOYSA-N	-1	184.151	AA	-1.001	0	Anodyne	ref	AAAARM	Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)[O-]	 
O=C(O)Cn1ccc(=O)[nH]c1=O	ZINC000000518398	34/49/29/169344929	ZFNQFXDDQAEAFI-UHFFFAOYSA-N	-1	170.124	AA	-1.379	0	Anodyne	ref	AAAARM	O=C([O-])Cn1ccc(=O)[nH]c1=O	 
N#Cc1cn(CCO)c(=O)[nH]c1=O	ZINC000001397124	12/83/29/169128329	BDWWKLPBKZASIC-UHFFFAOYSA-N	-1	181.151	AA	-1.599	0	Mild	ref	AAEARM	N#Cc1cn(CCO)c(=O)[n-]c1=O	 
COC(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000001608199	12/68/47/168126847	LNFWHIMRFZBBFO-UHFFFAOYSA-N	-1	170.124	AA	-1.15	3	Anodyne	high	AAAAHM	COC(=O)c1c[nH]c(=O)[n-]c1=O	 
COC(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000001608199	12/68/44/168126844	LNFWHIMRFZBBFO-UHFFFAOYSA-N	0	170.124	AA	-1.15	0	Anodyne	ref	AAAARN	COC(=O)c1c[nH]c(=O)[nH]c1=O	 
COC(=O)C[C@H](N)C(=O)O	ZINC000001708458	09/70/35/168097035	SBRYFUVVWOMLLP-VKHMYHEASA-N	-1	147.13	AA	-1.039	3	Anodyne	high	AAAAHM	COC(=O)C[C@H](N)C(=O)[O-]	 
COC(=O)C[C@H](N)C(=O)O	ZINC000001708458	09/70/33/168097033	SBRYFUVVWOMLLP-VKHMYHEASA-N	0	147.13	AA	-1.039	0	Anodyne	ref	AAAARN	COC(=O)C[C@H]([NH3+])C(=O)[O-]	 
COC(=O)C[C@@H](N)C(=O)O	ZINC000002560671	09/52/17/168095217	SBRYFUVVWOMLLP-GSVOUGTGSA-N	-1	147.13	AA	-1.039	3	Anodyne	high	AAAAHM	COC(=O)C[C@@H](N)C(=O)[O-]	in-vitro
COC(=O)C[C@@H](N)C(=O)O	ZINC000002560671	09/52/13/168095213	SBRYFUVVWOMLLP-GSVOUGTGSA-N	0	147.13	AA	-1.039	0	Anodyne	ref	AAAARN	COC(=O)C[C@@H]([NH3+])C(=O)[O-]	in-vitro
O=C(O)CN1CNC(=S)NC1	ZINC000002569230	34/03/66/169340366	AVMZRGSRFTWNMK-UHFFFAOYSA-N	-1	175.213	AA	-1.234	0	Anodyne	ref	AAAARM	O=C([O-])CN1CNC(=S)NC1	 
CNCC(=O)N1CCN(C)CC1	ZINC000003454554	98/24/57/342982457	CKRGUQFETZTMME-UHFFFAOYSA-N	0	171.244	AA	-1.02	3	Anodyne	high	AAAAHN	CNCC(=O)N1CCN(C)CC1	 
CNCC(=O)N1CCN(C)CC1	ZINC000003454554	98/24/56/342982456	CKRGUQFETZTMME-UHFFFAOYSA-N	0	171.244	AA	-1.02	2	Anodyne	low	AAAALN	C[NH2+]CC(=O)N1CC[NH+](C)CC1	 
CNCC(=O)N1CCN(C)CC1	ZINC000003454554	98/24/53/342982453	CKRGUQFETZTMME-UHFFFAOYSA-N	2	171.244	AA	-1.02	0	Anodyne	ref	AAAARP	C[NH2+]CC(=O)N1CCN(C)CC1	 
Cn1cc(C#N)c(=O)[nH]c1=O	ZINC000003883333	03/59/03/169035903	YTJSNMJWGAJURT-UHFFFAOYSA-N	-1	151.125	AA	-1.055	0	Mild	ref	AAEARM	Cn1cc(C#N)c(=O)[n-]c1=O	 
N[C@H]1COC[C@@H]1O	ZINC000012957834	27/76/21/169277621	HQVKXDYSIGDGSY-IMJSIDKUSA-N	1	103.121	AA	-1.295	0	Anodyne	ref	AAAARO	[NH3+][C@H]1COC[C@@H]1O	 
O=S1(=O)C[C@@H](O)[C@@H](O)C1	ZINC000018212054	41/22/67/169412267	LDVDYVUZEKIBDP-ZXZARUISSA-N	0	152.171	AA	-1.863	0	Anodyne	ref	AAAARN	O=S1(=O)C[C@@H](O)[C@@H](O)C1	 
NN[C@H]1CCS(=O)(=O)C1	ZINC000019167748	23/74/39/169237439	DBBOTJJFLMUEIN-BYPYZUCNSA-N	0	150.203	AA	-1.363	0	Anodyne	ref	AAAARN	NN[C@H]1CCS(=O)(=O)C1	 
NN[C@@H]1CCS(=O)(=O)C1	ZINC000019167751	23/73/95/169237395	DBBOTJJFLMUEIN-SCSAIBSYSA-N	0	150.203	AA	-1.363	0	Anodyne	ref	AAAARN	NN[C@@H]1CCS(=O)(=O)C1	 
O=C(O)CN1CCNCC1	ZINC000019735199	34/04/73/169340473	WRJZKSHNBALIGH-UHFFFAOYSA-N	0	144.174	AA	-1.024	1	Anodyne	mid	AAAAMN	O=C([O-])C[NH+]1CCNCC1	 
O=C(O)CN1CCNCC1	ZINC000019735199	34/04/72/169340472	WRJZKSHNBALIGH-UHFFFAOYSA-N	0	144.174	AA	-1.024	0	Anodyne	ref	AAAARN	O=C([O-])CN1CC[NH2+]CC1	 
C[S@@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000026507102	21/59/88/171215988	MGVWYYBFDQILLU-LBPRGKRZSA-N	-1	188.208	AA	-1.058	3	Anodyne	high	AAABHM	C[S@@](=O)Cc1cc(=O)[n-]c(=O)[nH]1	 
C[S@@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000026507102	21/59/83/171215983	MGVWYYBFDQILLU-LBPRGKRZSA-N	0	188.208	AA	-1.058	0	Anodyne	ref	AAABRN	C[S@@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	 
C[S@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000026507105	08/88/17/343088817	MGVWYYBFDQILLU-GFCCVEGCSA-N	-1	188.208	AA	-1.058	3	Anodyne	high	AAABHM	C[S@](=O)Cc1cc(=O)[n-]c(=O)[nH]1	 
C[S@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	ZINC000026507105	08/88/15/343088815	MGVWYYBFDQILLU-GFCCVEGCSA-N	0	188.208	AA	-1.058	0	Anodyne	ref	AAABRN	C[S@](=O)Cc1cc(=O)[nH]c(=O)[nH]1	 
O=S1(=O)C[C@H]2NCCN[C@H]2C1	ZINC000032496996	42/92/30/351429230	XBPSKZNDAZYXNY-OLQVQODUSA-N	0	176.241	AA	-1.655	1	Anodyne	mid	AAAAMN	O=S1(=O)C[C@H]2NCCN[C@H]2C1	 
O=S1(=O)C[C@H]2NCCN[C@H]2C1	ZINC000032496996	42/92/29/351429229	XBPSKZNDAZYXNY-OLQVQODUSA-N	1	176.241	AA	-1.655	1	Anodyne	mid	AAAAMO	O=S1(=O)C[C@H]2NCC[NH2+][C@H]2C1	 
O=S1(=O)C[C@H]2NCCN[C@H]2C1	ZINC000032496996	42/92/27/351429227	XBPSKZNDAZYXNY-OLQVQODUSA-N	1	176.241	AA	-1.655	0	Anodyne	ref	AAAARO	O=S1(=O)C[C@H]2[NH2+]CCN[C@H]2C1	 
O=S1(=O)C[C@H]2NCCN[C@@H]2C1	ZINC000032496997	42/92/19/351429219	XBPSKZNDAZYXNY-PHDIDXHHSA-N	0	176.241	AA	-1.655	1	Anodyne	mid	AAAAMN	O=S1(=O)C[C@H]2NCCN[C@@H]2C1	 
O=S1(=O)C[C@H]2NCCN[C@@H]2C1	ZINC000032496997	42/92/16/351429216	XBPSKZNDAZYXNY-PHDIDXHHSA-N	1	176.241	AA	-1.655	0	Anodyne	ref	AAAARO	O=S1(=O)C[C@H]2NCC[NH2+][C@@H]2C1	 
O=S1(=O)C[C@@H]2NCCN[C@H]2C1	ZINC000032496998	42/90/30/351429030	XBPSKZNDAZYXNY-WDSKDSINSA-N	0	176.241	AA	-1.655	1	Anodyne	mid	AAAAMN	O=S1(=O)C[C@@H]2NCCN[C@H]2C1	 
O=S1(=O)C[C@@H]2NCCN[C@H]2C1	ZINC000032496998	42/90/23/351429023	XBPSKZNDAZYXNY-WDSKDSINSA-N	1	176.241	AA	-1.655	0	Anodyne	ref	AAAARO	O=S1(=O)C[C@@H]2NCC[NH2+][C@H]2C1	 
Cn1cc(C(=O)O)c(=O)[nH]c1=O	ZINC000032627199	03/62/30/169036230	POFQIFXCMBGLKO-UHFFFAOYSA-N	-1	170.124	AA	-1.228	0	Anodyne	ref	AAAARM	Cn1cc(C(=O)[O-])c(=O)[nH]c1=O	 
N#Cc1cn(CC(=O)O)c(O)nc1=O	ZINC000034785129	12/90/80/169129080	IOAZBYWRQMHWEG-UHFFFAOYSA-N	-2	195.134	AA	-1.095	0	Mild	ref	AAEARL	N#Cc1cn(CC(=O)[O-])c(=O)[n-]c1=O	 
CNC(=O)COCC(=O)NC	ZINC000044831583	54/08/01/351540801	UJQOJJIGSGICIS-UHFFFAOYSA-N	0	160.173	AA	-1.505	0	Anodyne	ref	AAABRN	CNC(=O)COCC(=O)NC	 
Cn1cc(/C(N)=N/O)c(=O)[nH]c1=O	ZINC000062710761	03/68/68/169036868	VMQMYFQUKOXIHE-UHFFFAOYSA-N	0	184.155	AA	-1.832	0	Mild	ref	AAEARN	Cn1cc(/C(N)=N/O)c(=O)[nH]c1=O	 
N/C(=N\O)c1c[nH]c(=O)[nH]c1=O	ZINC000062710764	13/23/51/169132351	HYODOBTXWOICRY-UHFFFAOYSA-N	-1	170.128	AA	-1.842	3	Mild	high	AAEAHM	N/C(=N\O)c1c[nH]c(=O)[n-]c1=O	 
N/C(=N\O)c1c[nH]c(=O)[nH]c1=O	ZINC000062710764	13/23/47/169132347	HYODOBTXWOICRY-UHFFFAOYSA-N	-1	170.128	AA	-1.842	0	Mild	ref	AAEARM	N/C(=N\O)c1c[nH]c(=O)[nH]c1=O	 
O=CC1C(=O)NC(=O)NC1=O	ZINC000100293202	39/59/55/169395955	BGLZMCSABBNRIJ-UHFFFAOYSA-N	-2	156.097	AA	-1.833	3	Mild	high	AAEBHL	O=Cc1c([O-])[nH]c(=O)[n-]c1=O	 
O=CC1C(=O)NC(=O)NC1=O	ZINC000100293202	39/59/53/169395953	BGLZMCSABBNRIJ-UHFFFAOYSA-N	-1	156.097	AA	-1.833	1	Mild	mid	AAEBMM	O=Cc1c([O-])[nH]c(=O)[nH]c1=O	 
O=CC1C(=O)NC(=O)NC1=O	ZINC000100293202	39/59/52/169395952	BGLZMCSABBNRIJ-UHFFFAOYSA-N	-2	156.097	AA	-1.833	0	Mild	ref	AAEBRL	O=CC1C(=O)NC(=O)N=C1[O-]	 
NC(P(=O)(O)O)P(=O)(O)O	ZINC000100923307	16/80/05/169168005	FRCICXIVPRNPLM-UHFFFAOYSA-N	-3	191.016	AA	-1.416	3	Anodyne	high	AAAAHL	[NH3+]C(P(=O)([O-])[O-])P(=O)([O-])[O-]