Cc1ccc2oc(=S)[nH]c2c1	ZINC000000100723	92/69/44/342926944	SSWZUOXLFTXIEZ-UHFFFAOYSA-N	-1	165.217	AF	2.799	0	Anodyne	ref	AFAARM	Cc1ccc2oc(=S)[n-]c2c1	 
Clc1cccc(-c2cnco2)c1	ZINC000000106619	02/58/19/169025819	NJVHPUNGYNOCQN-UHFFFAOYSA-N	0	179.606	AF	2.995	0	Anodyne	ref	AFAARN	Clc1cccc(-c2cnco2)c1	 
Clc1ccccc1-c1ccn[nH]1	ZINC000000109075	02/46/37/169024637	DWBQZNMWKPXWEK-UHFFFAOYSA-N	0	178.622	AF	2.73	0	Anodyne	ref	AFAARN	Clc1ccccc1-c1cc[nH]n1	 
Clc1ccc(-c2ccccc2)nn1	ZINC000000156064	02/12/35/169021235	BUBRFWDEAVIFMV-UHFFFAOYSA-N	0	190.633	AF	2.797	0	Anodyne	ref	AFAARN	Clc1ccc(-c2ccccc2)nn1	 
Oc1cc(-c2ccc(Cl)cc2)no1	ZINC000000224339	19/72/59/171197259	GCBUVAWMSGDPCI-UHFFFAOYSA-N	-1	195.605	AF	2.701	1	Anodyne	mid	AFAAMM	O=c1cc(-c2ccc(Cl)cc2)[n-]o1	 
Oc1cc(-c2ccc(Cl)cc2)no1	ZINC000000224339	19/72/56/171197256	GCBUVAWMSGDPCI-UHFFFAOYSA-N	0	195.605	AF	2.701	0	Anodyne	ref	AFAARN	O=c1cc(-c2ccc(Cl)cc2)[nH]o1	 
Cc1ccc2[nH]c(=S)oc2c1	ZINC000000574162	99/59/94/170995994	NUMDWMDMUXZMHA-UHFFFAOYSA-N	-1	165.217	AF	2.799	0	Anodyne	ref	AFAARM	Cc1ccc2[n-]c(=S)oc2c1	 
C[C@H](N)c1ccc2ccccc2c1	ZINC000000967489	94/23/70/342942370	KHSYYLCXQKCYQX-VIFPVBQESA-N	1	171.243	AF	2.86	0	Anodyne	ref	AFAARO	C[C@H]([NH3+])c1ccc2ccccc2c1	 
Clc1cnc(-c2ccccc2)cn1	ZINC000001020119	02/66/36/169026636	IKWXPYFPNVAWJY-UHFFFAOYSA-N	0	190.633	AF	2.797	0	Anodyne	ref	AFAARN	Clc1cnc(-c2ccccc2)cn1	 
Clc1ccc(-c2cccs2)nn1	ZINC000001402687	02/14/01/169021401	PWPOARFRZDKKHN-UHFFFAOYSA-N	0	196.662	AF	2.859	0	Anodyne	ref	AFAARN	Clc1ccc(-c2cccs2)nn1	 
CCCCC1(O)CCCCC1	ZINC000001589680	95/00/77/342950077	RCHLXMOXBJRGNX-UHFFFAOYSA-N	0	156.269	AF	2.872	0	Anodyne	ref	AFAARN	CCCCC1(O)CCCCC1	 
NCc1ccc(-c2ccccc2)cc1	ZINC000001594700	22/25/42/169222542	RMSPOVPGDBDYKH-UHFFFAOYSA-N	1	183.254	AF	2.812	0	Anodyne	ref	AFAARO	[NH3+]Cc1ccc(-c2ccccc2)cc1	 
Clc1nc(-c2ccccc2)ns1	ZINC000001604615	95/15/70/342951570	FJDVOZDQWUMILL-UHFFFAOYSA-N	0	196.662	AF	2.859	0	Anodyne	ref	AFAARN	Clc1nc(-c2ccccc2)ns1	 
CC(C)[C@@H]1CC[C@H](C)C(=O)C1	ZINC000001626971	58/69/32/166586932	GCRTVIUGJCJVDD-DTWKUNHWSA-N	0	154.253	AF	2.648	0	Anodyne	ref	AFAARN	CC(C)[C@@H]1CC[C@H](C)C(=O)C1	in-man endogenous
CC(C)[C@@H]1CC[C@@H](C)C(=O)C1	ZINC000001626972	95/30/40/342953040	GCRTVIUGJCJVDD-RKDXNWHRSA-N	0	154.253	AF	2.648	0	Anodyne	ref	AFAARN	CC(C)[C@@H]1CC[C@@H](C)C(=O)C1	in-man endogenous
CC(C)[C@H]1CC[C@H](C)C(=O)C1	ZINC000001626973	41/13/08/574411308	GCRTVIUGJCJVDD-IUCAKERBSA-N	0	154.253	AF	2.648	0	Anodyne	ref	AFAARN	CC(C)[C@H]1CC[C@H](C)C(=O)C1	in-man endogenous
CC(C)[C@H]1CC[C@@H](C)C(=O)C1	ZINC000001626974	61/57/65/166615765	GCRTVIUGJCJVDD-BDAKNGLRSA-N	0	154.253	AF	2.648	0	Anodyne	ref	AFAARN	CC(C)[C@H]1CC[C@@H](C)C(=O)C1	in-man endogenous
C[C@H](N)c1cccc2ccccc12	ZINC000001701854	96/06/65/342960665	RTCUCQWIICFPOD-VIFPVBQESA-N	1	171.243	AF	2.86	0	Anodyne	ref	AFAARO	C[C@H]([NH3+])c1cccc2ccccc12	 
CCCCNCc1cccs1	ZINC000001828218	90/15/92/166901592	BXLRKCXLIJDFGM-UHFFFAOYSA-N	1	169.293	AF	2.638	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1cccs1	 
CC[C@@H](C)NCCc1ccccc1	ZINC000002027695	47/42/06/167474206	QQANEHTZDNVRFU-LLVKDONJSA-N	1	177.291	AF	2.617	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]CCc1ccccc1	 
CC[C@H](C)NCCc1ccccc1	ZINC000002027698	96/73/11/342967311	QQANEHTZDNVRFU-NSHDSACASA-N	1	177.291	AF	2.617	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]CCc1ccccc1	 
C[C@@H](N)c1cccc2ccccc12	ZINC000002036677	37/31/04/168373104	RTCUCQWIICFPOD-SECBINFHSA-N	1	171.243	AF	2.86	0	Anodyne	ref	AFAARO	C[C@@H]([NH3+])c1cccc2ccccc12	 
C[C@@H](N)c1ccc2ccccc2c1	ZINC000002146633	36/94/11/168369411	KHSYYLCXQKCYQX-SECBINFHSA-N	1	171.243	AF	2.86	0	Anodyne	ref	AFAARO	C[C@@H]([NH3+])c1ccc2ccccc2c1	 
Clc1ccccc1-c1cnco1	ZINC000002575163	02/52/66/169025266	DMZJGPXZLVUMIN-UHFFFAOYSA-N	0	179.606	AF	2.995	0	Anodyne	ref	AFAARN	Clc1ccccc1-c1cnco1	 
c1csc([C@@H]2CCCCCN2)c1	ZINC000002582648	48/68/06/169486806	KRQAQWCVTRHERQ-VIFPVBQESA-N	1	181.304	AF	2.953	0	Anodyne	ref	AFAARO	c1csc([C@@H]2CCCCC[NH2+]2)c1	 
c1ccc([C@@H]2CCCCCN2)cc1	ZINC000002582649	00/81/62/171008162	QFRVVKIFIHGQCH-LBPRGKRZSA-N	1	175.275	AF	2.891	0	Anodyne	ref	AFAARO	c1ccc([C@@H]2CCCCC[NH2+]2)cc1	in-vitro
c1csc([C@H]2CCCCCN2)c1	ZINC000003734843	31/92/29/351319229	KRQAQWCVTRHERQ-SECBINFHSA-N	1	181.304	AF	2.953	0	Anodyne	ref	AFAARO	c1csc([C@H]2CCCCC[NH2+]2)c1	 
c1ccc([C@H]2CCCCCN2)cc1	ZINC000003734844	31/92/74/351319274	QFRVVKIFIHGQCH-GFCCVEGCSA-N	1	175.275	AF	2.891	0	Anodyne	ref	AFAARO	c1ccc([C@H]2CCCCC[NH2+]2)cc1	in-vitro
O=C(/C=C/c1ccco1)c1ccco1	ZINC000004039997	01/10/97/171011097	CJSUJEFIWCHVLJ-AATRIKPKSA-N	0	188.182	AF	2.769	0	Mild	ref	AFEARN	O=C(/C=C/c1ccco1)c1ccco1	 
CC(C)(C)c1cn2ccccc2n1	ZINC000004235097	38/76/23/166387623	PGLHGXMDGUTQON-UHFFFAOYSA-N	1	174.247	AF	2.632	2	Anodyne	low	AFAALO	CC(C)(C)c1cn2ccccc2[nH+]1	 
CC(C)(C)c1cn2ccccc2n1	ZINC000004235097	38/76/20/166387620	PGLHGXMDGUTQON-UHFFFAOYSA-N	0	174.247	AF	2.632	0	Anodyne	ref	AFAARN	CC(C)(C)c1cn2ccccc2n1	 
Clc1ccc(-c2ccn[nH]2)cc1	ZINC000005037844	02/15/30/169021530	HLCXWJKNVWWWOF-UHFFFAOYSA-N	0	178.622	AF	2.73	0	Anodyne	ref	AFAARN	Clc1ccc(-c2cc[nH]n2)cc1	 
CCCCNCCc1ccccc1	ZINC000005309264	89/84/15/166898415	WDMJWWMDMSQIGM-UHFFFAOYSA-N	1	177.291	AF	2.619	0	Anodyne	ref	AFAARO	CCCC[NH2+]CCc1ccccc1	 
c1coc(-c2cn3ccccc3n2)c1	ZINC000005729241	48/40/30/169484030	SIDJEDFUSPSLPY-UHFFFAOYSA-N	0	184.198	AF	2.594	0	Anodyne	ref	AFAARN	c1coc(-c2cn3ccccc3n2)c1	 
CCCCNCc1ccc(C)cc1	ZINC000005792827	00/85/50/343008550	HJAGHNRKHZQVEK-UHFFFAOYSA-N	1	177.291	AF	2.885	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccc(C)cc1	 
CCCCNCc1ccc(F)cc1	ZINC000005792829	00/85/52/343008552	SZEFNSDEEORQSF-UHFFFAOYSA-N	1	181.254	AF	2.715	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccc(F)cc1	 
CCCCNCc1ccc(OC)cc1	ZINC000005792831	00/85/03/343008503	IBTNQSONKQDXNY-UHFFFAOYSA-N	1	193.29	AF	2.585	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccc(OC)cc1	 
CC(C)CNCc1ccc(F)cc1	ZINC000005817289	61/94/95/371619495	SOUYVJATMXDMQK-UHFFFAOYSA-N	1	181.254	AF	2.571	0	Anodyne	ref	AFAARO	CC(C)C[NH2+]Cc1ccc(F)cc1	 
CC[C@@H](C)NCc1ccc(F)cc1	ZINC000005907278	47/60/03/167476003	ZDIMCFHGMAHYSX-SECBINFHSA-N	1	181.254	AF	2.714	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccc(F)cc1	 
CC[C@@H](C)NCc1ccccc1OC	ZINC000005907299	34/77/85/351347785	MRINNIJISAVYPH-SNVBAGLBSA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccccc1OC	 
CC[C@@H](C)NCc1cccs1	ZINC000005907310	34/75/87/351347587	UPNAXMIPDHAVNJ-MRVPVSSYSA-N	1	169.293	AF	2.636	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1cccs1	 
CC[C@H](C)NCc1sccc1C	ZINC000005907911	00/94/75/343009475	NUDFKGPGTCEWRP-VIFPVBQESA-N	1	183.32	AF	2.945	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1sccc1C	 
CC[C@H](C)NCc1ccc(F)cc1	ZINC000005907922	00/94/73/343009473	ZDIMCFHGMAHYSX-VIFPVBQESA-N	1	181.254	AF	2.714	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccc(F)cc1	 
CC[C@H](C)NCc1ccccc1OC	ZINC000005907942	00/94/85/343009485	MRINNIJISAVYPH-JTQLQIEISA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccccc1OC	 
CC[C@H](C)NCc1cccs1	ZINC000005907951	00/95/02/343009502	UPNAXMIPDHAVNJ-QMMMGPOBSA-N	1	169.293	AF	2.636	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1cccs1	 
CC(C)NCc1cccc(Cl)c1	ZINC000005962954	01/04/20/343010420	QHMAGMOPVYVISF-UHFFFAOYSA-N	1	183.682	AF	2.838	0	Anodyne	ref	AFAARO	CC(C)[NH2+]Cc1cccc(Cl)c1	 
CCCCNCc1cccc(C)c1	ZINC000005973581	90/19/15/166901915	WCFIZXRUMMCIQK-UHFFFAOYSA-N	1	177.291	AF	2.885	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1cccc(C)c1	 
CCCCNCc1cccc(F)c1	ZINC000005973584	01/06/47/343010647	CDZXTUXULNFHSG-UHFFFAOYSA-N	1	181.254	AF	2.715	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1cccc(F)c1	 
CCCCNCc1cccc(OC)c1	ZINC000005973587	01/06/19/343010619	YWAIQZVYGOQBMO-UHFFFAOYSA-N	1	193.29	AF	2.585	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1cccc(OC)c1	 
CCCCNCc1ccccc1C	ZINC000005973590	01/07/45/343010745	MACCIKTTYKTPKG-UHFFFAOYSA-N	1	177.291	AF	2.885	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccccc1C	 
CCCCNCc1ccccc1F	ZINC000005973593	01/07/15/343010715	WSMSXSDYRRSIRN-UHFFFAOYSA-N	0	181.254	AF	2.715	3	Anodyne	high	AFAAHN	CCCCNCc1ccccc1F	 
CCCCNCc1ccccc1F	ZINC000005973593	01/07/13/343010713	WSMSXSDYRRSIRN-UHFFFAOYSA-N	1	181.254	AF	2.715	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccccc1F	 
Cc1ccsc1CNCC(C)C	ZINC000005982097	01/09/89/343010989	RAFNNRGHNQPSGA-UHFFFAOYSA-N	1	183.32	AF	2.802	0	Anodyne	ref	AFAARO	Cc1ccsc1C[NH2+]CC(C)C	 
CCCNCc1cccc(Cl)c1	ZINC000006380495	01/41/17/343014117	SVGHLUNRWBUQSV-UHFFFAOYSA-N	1	183.682	AF	2.84	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1cccc(Cl)c1	 
c1ccc2ncc([C@@H]3CCCN3)cc2c1	ZINC000006733591	35/40/67/351354067	QETHIJNTMQASAU-ZDUSSCGKSA-N	1	198.269	AF	2.659	0	Anodyne	ref	AFAARO	c1ccc2ncc([C@@H]3CCC[NH2+]3)cc2c1	 
c1ccc2ncc([C@H]3CCCN3)cc2c1	ZINC000006733592	48/14/06/169481406	QETHIJNTMQASAU-CYBMUJFWSA-N	1	198.269	AF	2.659	0	Anodyne	ref	AFAARO	c1ccc2ncc([C@H]3CCC[NH2+]3)cc2c1	 
c1cnc2ccc([C@@H]3CCCN3)cc2c1	ZINC000006733625	02/07/52/171020752	QHBYGJLVFNLHRB-LBPRGKRZSA-N	1	198.269	AF	2.659	0	Anodyne	ref	AFAARO	c1cnc2ccc([C@@H]3CCC[NH2+]3)cc2c1	 
c1cnc2ccc([C@H]3CCCN3)cc2c1	ZINC000006733626	02/04/06/171020406	QHBYGJLVFNLHRB-GFCCVEGCSA-N	1	198.269	AF	2.659	0	Anodyne	ref	AFAARO	c1cnc2ccc([C@H]3CCC[NH2+]3)cc2c1	 
CC(C)C[C@@H]1C(=O)Nc2ccccc21	ZINC000006744009	35/39/56/351353956	UHNMEXRCASTLJV-JTQLQIEISA-N	0	189.258	AF	2.768	0	Anodyne	ref	AFAARN	CC(C)C[C@@H]1C(=O)Nc2ccccc21	 
C[C@H](NO)c1cccc2ccccc12	ZINC000006744127	01/64/62/343016462	XNZCDKSYYYRIOF-VIFPVBQESA-N	0	187.242	AF	2.88	0	Anodyne	ref	AFAARN	C[C@H](NO)c1cccc2ccccc12	 
C[C@@H](NO)c1cccc2ccccc12	ZINC000006744132	38/44/95/168384495	XNZCDKSYYYRIOF-SECBINFHSA-N	0	187.242	AF	2.88	0	Anodyne	ref	AFAARN	C[C@@H](NO)c1cccc2ccccc12	 
C[C@H](NO)c1ccc2ccccc2c1	ZINC000006744139	01/63/88/343016388	FXXGFKZGWPEIDO-VIFPVBQESA-N	0	187.242	AF	2.88	0	Anodyne	ref	AFAARN	C[C@H](NO)c1ccc2ccccc2c1	 
C[C@@H](NO)c1ccc2ccccc2c1	ZINC000006744150	38/31/30/168383130	FXXGFKZGWPEIDO-SECBINFHSA-N	0	187.242	AF	2.88	0	Anodyne	ref	AFAARN	C[C@@H](NO)c1ccc2ccccc2c1	 
c1ccc(-c2cc[nH]c2)cc1	ZINC000006744541	35/34/13/351353413	LJDRAKFYYGCAQC-UHFFFAOYSA-N	0	143.189	AF	2.682	0	Anodyne	ref	AFAARN	c1ccc(-c2cc[nH]c2)cc1	 
C=CCNCc1c(F)cccc1Cl	ZINC000006855829	18/78/89/166187889	YTZMRUNVNWFYBQ-UHFFFAOYSA-N	1	199.656	AF	2.755	1	Mild	mid	AFEAMO	C=CC[NH2+]Cc1c(F)cccc1Cl	 
C=CCNCc1c(F)cccc1Cl	ZINC000006855829	18/78/87/166187887	YTZMRUNVNWFYBQ-UHFFFAOYSA-N	0	199.656	AF	2.755	0	Mild	ref	AFEARN	C=CCNCc1c(F)cccc1Cl	 
C=CCNCc1ccc(Cl)cc1	ZINC000006855872	18/82/20/166188220	MXLWFBBJEPONGS-UHFFFAOYSA-N	0	181.666	AF	2.616	3	Mild	high	AFEAHN	C=CCNCc1ccc(Cl)cc1	 
C=CCNCc1ccc(Cl)cc1	ZINC000006855872	18/82/18/166188218	MXLWFBBJEPONGS-UHFFFAOYSA-N	1	181.666	AF	2.616	0	Mild	ref	AFEARO	C=CC[NH2+]Cc1ccc(Cl)cc1	 
C=CCNCc1cccc(Cl)c1	ZINC000006855919	18/85/51/166188551	MVRHDCCHFXHBFD-UHFFFAOYSA-N	0	181.666	AF	2.616	3	Mild	high	AFEAHN	C=CCNCc1cccc(Cl)c1	 
C=CCNCc1cccc(Cl)c1	ZINC000006855919	18/85/47/166188547	MVRHDCCHFXHBFD-UHFFFAOYSA-N	1	181.666	AF	2.616	0	Mild	ref	AFEARO	C=CC[NH2+]Cc1cccc(Cl)c1	 
C=CCNCc1ccccc1Cl	ZINC000006855935	18/91/75/166189175	NIPYYZYFRCKOKL-UHFFFAOYSA-N	0	181.666	AF	2.616	1	Mild	mid	AFEAMN	C=CCNCc1ccccc1Cl	 
C=CCNCc1ccccc1Cl	ZINC000006855935	18/91/72/166189172	NIPYYZYFRCKOKL-UHFFFAOYSA-N	1	181.666	AF	2.616	0	Mild	ref	AFEARO	C=CC[NH2+]Cc1ccccc1Cl	 
CC(C)CNC/C=C/c1ccccc1	ZINC000006883508	46/99/84/166469984	PMBUEBBTUPUBQW-RMKNXTFCSA-N	1	189.302	AF	2.945	0	Anodyne	ref	AFAARO	CC(C)C[NH2+]C/C=C/c1ccccc1	 
CC(C)CNCc1ccccc1F	ZINC000006883658	47/08/99/166470899	MXIQSNZZFFIORF-UHFFFAOYSA-N	1	181.254	AF	2.571	0	Anodyne	ref	AFAARO	CC(C)C[NH2+]Cc1ccccc1F	 
CCCCNCc1sccc1C	ZINC000007261610	01/73/18/343017318	CPRAFZHFARXMIU-UHFFFAOYSA-N	1	183.32	AF	2.946	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1sccc1C	 
CCCCNCc1ccccc1OC	ZINC000007261738	01/71/14/343017114	QNRGPPFYKDTUIQ-UHFFFAOYSA-N	1	193.29	AF	2.585	0	Anodyne	ref	AFAARO	CCCC[NH2+]Cc1ccccc1OC	 
CCCNC/C=C/c1ccccc1	ZINC000007262286	01/74/09/343017409	XVODXZBINOXIOP-RMKNXTFCSA-N	1	175.275	AF	2.699	0	Anodyne	ref	AFAARO	CCC[NH2+]C/C=C/c1ccccc1	 
CCCNCc1sccc1C	ZINC000007262289	01/71/80/343017180	HLHBOXVIFRMMJR-UHFFFAOYSA-N	1	169.293	AF	2.556	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1sccc1C	 
CCCNCc1ccc(CC)cc1	ZINC000007262375	01/74/12/343017412	WNAKIBVJACHNRU-UHFFFAOYSA-N	1	177.291	AF	2.749	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1ccc(CC)cc1	 
CCCNCc1ccc(OCC)cc1	ZINC000007262377	98/97/83/166989783	MBSKUJLYIMXZBH-UHFFFAOYSA-N	1	193.29	AF	2.585	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1ccc(OCC)cc1	 
CCCNCc1ccc(SC)cc1	ZINC000007262380	01/72/86/343017286	OGCRTPMXMKIFGS-UHFFFAOYSA-N	1	195.331	AF	2.908	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1ccc(SC)cc1	 
CCCNCc1ccccc1Cl	ZINC000007262411	01/72/61/343017261	CAGPPHJSMNPKJQ-UHFFFAOYSA-N	0	183.682	AF	2.84	3	Anodyne	high	AFAAHN	CCCNCc1ccccc1Cl	 
CCCNCc1ccccc1Cl	ZINC000007262411	01/72/59/343017259	CAGPPHJSMNPKJQ-UHFFFAOYSA-N	1	183.682	AF	2.84	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1ccccc1Cl	 
CCCNCc1ccccc1OCC	ZINC000007262414	99/12/76/166991276	GQBWVDZMFLRMRD-UHFFFAOYSA-N	1	193.29	AF	2.585	0	Anodyne	ref	AFAARO	CCC[NH2+]Cc1ccccc1OCC	 
CC[C@@H](C)NCc1ccc(C)cc1	ZINC000008325991	35/63/45/351356345	VREWBJMUDAEIED-LLVKDONJSA-N	1	177.291	AF	2.883	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccc(C)cc1	 
CC[C@@H](C)NCc1ccc(OC)cc1	ZINC000008325992	35/60/24/351356024	BFIFDYOBNXBOST-SNVBAGLBSA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1	 
CC[C@@H](C)NCc1cccc(OC)c1	ZINC000008326012	35/64/41/351356441	ORPHYGSUWZTHAY-SNVBAGLBSA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1cccc(OC)c1	 
CC[C@@H](C)NCc1ccccc1C	ZINC000008326036	35/60/97/351356097	GBGHSGWPPGNEAQ-LLVKDONJSA-N	1	177.291	AF	2.883	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccccc1C	 
CC[C@@H](C)NCc1ccccc1F	ZINC000008326038	35/63/02/351356302	YMNDDCDZEXRZEW-SECBINFHSA-N	0	181.254	AF	2.714	3	Anodyne	high	AFAAHN	CC[C@@H](C)NCc1ccccc1F	 
CC[C@@H](C)NCc1ccccc1F	ZINC000008326038	35/62/99/351356299	YMNDDCDZEXRZEW-SECBINFHSA-N	1	181.254	AF	2.714	0	Anodyne	ref	AFAARO	CC[C@@H](C)[NH2+]Cc1ccccc1F	 
CC[C@H](C)NCc1ccc(C)cc1	ZINC000008326741	01/81/36/343018136	VREWBJMUDAEIED-NSHDSACASA-N	1	177.291	AF	2.883	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccc(C)cc1	 
CC[C@H](C)NCc1ccc(OC)cc1	ZINC000008326744	01/81/98/343018198	BFIFDYOBNXBOST-JTQLQIEISA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccc(OC)cc1	 
CC[C@H](C)NCc1cccc(OC)c1	ZINC000008326763	01/83/13/343018313	ORPHYGSUWZTHAY-JTQLQIEISA-N	1	193.29	AF	2.583	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1cccc(OC)c1	 
CC[C@H](C)NCc1ccccc1C	ZINC000008326786	01/83/02/343018302	GBGHSGWPPGNEAQ-NSHDSACASA-N	1	177.291	AF	2.883	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccccc1C	 
CC[C@H](C)NCc1ccccc1F	ZINC000008326789	01/83/29/343018329	YMNDDCDZEXRZEW-VIFPVBQESA-N	0	181.254	AF	2.714	3	Anodyne	high	AFAAHN	CC[C@H](C)NCc1ccccc1F	 
CC[C@H](C)NCc1ccccc1F	ZINC000008326789	01/83/27/343018327	YMNDDCDZEXRZEW-VIFPVBQESA-N	1	181.254	AF	2.714	0	Anodyne	ref	AFAARO	CC[C@H](C)[NH2+]Cc1ccccc1F	 
CCc1ccc(CNCC(C)C)cc1	ZINC000008337962	01/82/09/343018209	CRVLROUGAOPIIK-UHFFFAOYSA-N	1	191.318	AF	2.995	0	Anodyne	ref	AFAARO	CCc1ccc(C[NH2+]CC(C)C)cc1	 
C=CCNCc1ccc(CC)cc1	ZINC000008337965	18/75/54/166187554	VOXQMDLWYRORLG-UHFFFAOYSA-N	0	175.275	AF	2.525	3	Mild	high	AFEAHN	C=CCNCc1ccc(CC)cc1	 
C=CCNCc1ccc(CC)cc1	ZINC000008337965	18/75/52/166187552	VOXQMDLWYRORLG-UHFFFAOYSA-N	1	175.275	AF	2.525	0	Mild	ref	AFEARO	C=CC[NH2+]Cc1ccc(CC)cc1	 
C=CCNCc1ccc(SC)cc1	ZINC000008496851	18/75/11/166187511	DSVGQNPMYMLJMJ-UHFFFAOYSA-N	0	193.315	AF	2.684	3	Mild	high	AFEAHN	C=CCNCc1ccc(SC)cc1