CCOC(=O)c1c(C)n(C)c2ccc(O)cc12	ZINC000000001652	28/85/49/170288549	YTBNTDMBGXAOCG-UHFFFAOYSA-N	0	233.267	BE	2.369	0	Anodyne	ref	BEAARN	CCOC(=O)c1c(C)n(C)c2ccc(O)cc12	in-man
Cc1ccc(C)n1-c1ccc(C(=O)O)c(O)c1	ZINC000000029121	66/99/74/342669974	WAYCNXGAKFXIKA-UHFFFAOYSA-N	-1	231.251	BE	2.498	0	Clean	ref	BECARM	Cc1ccc(C)n1-c1ccc(C(=O)[O-])c(O)c1	 
O=C(Nc1ccc(F)cc1)c1cccnc1	ZINC000000029324	35/67/52/182356752	SRPXJYRIMMGYIB-UHFFFAOYSA-N	0	216.215	BE	2.473	0	Anodyne	ref	BEAARN	O=C(Nc1ccc(F)cc1)c1cccnc1	 
Cc1ccc(C(=O)NCc2cccnc2)cc1	ZINC000000029559	41/68/59/178416859	VDNOJWSBXQNXBF-UHFFFAOYSA-N	0	226.279	BE	2.32	0	Anodyne	ref	BEAARN	Cc1ccc(C(=O)NCc2cccnc2)cc1	 
O=C(Nc1cccc(F)c1)c1cccnc1	ZINC000000029655	37/10/11/182371011	SMWLNSYGXXNZCJ-UHFFFAOYSA-N	0	216.215	BE	2.473	0	Anodyne	ref	BEAARN	O=C(Nc1cccc(F)c1)c1cccnc1	 
O=C(c1ccco1)N1CCc2ccccc21	ZINC000000035362	67/06/44/342670644	SQFKXNDVUJVECL-UHFFFAOYSA-N	0	213.236	BE	2.483	0	Anodyne	ref	BEAARN	O=C(c1ccco1)N1CCc2ccccc21	 
O=Cc1ccc(-c2ccc(C(=O)O)cc2)o1	ZINC000000035747	81/88/94/383818894	LBIJVLPGGBXNPM-UHFFFAOYSA-N	-1	216.192	BE	2.457	0	Anodyne	ref	BEAARM	O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	 
CCOC(=O)c1c(N)sc2c1CCCC2	ZINC000000035815	28/90/41/170289041	CDYVTVLXEWMCHU-UHFFFAOYSA-N	0	225.313	BE	2.386	0	Anodyne	ref	BEAARN	CCOC(=O)c1c(N)sc2c1CCCC2	 
CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000000035819	81/89/45/383818945	IILMTVMHMUEWFW-UHFFFAOYSA-N	0	231.173	BE	2.39	0	Anodyne	ref	BEAARN	CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1	 
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000036597	81/92/27/383819227	IGWGXOHABPCPHZ-UHFFFAOYSA-N	0	239.34	BE	2.17	0	Anodyne	ref	BEAARN	Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
CCOC(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000000038382	29/62/13/170296213	FFEJMKMYJLKOID-UHFFFAOYSA-N	0	233.267	BE	2.212	0	Anodyne	ref	BEAARN	CCOC(=O)c1ccc(NC(=O)C2CC2)cc1	 
Cc1ccc(C(=O)O)cc1Br	ZINC000000038386	81/98/74/383819874	ZFJOMUKPDWNRFI-UHFFFAOYSA-N	-1	215.046	BE	2.456	0	Anodyne	ref	BEAARM	Cc1ccc(C(=O)[O-])cc1Br	 
O=C(O)COc1cccc2ccccc12	ZINC000000038389	52/83/89/384528389	GHRYSOFWKRRLMI-UHFFFAOYSA-N	-1	202.209	BE	2.303	0	Anodyne	ref	BEAARM	O=C([O-])COc1cccc2ccccc12	in-vivo
CCCC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000000038425	56/31/65/168563165	RNUZJUNYRKTBMN-UHFFFAOYSA-N	0	221.256	BE	2.212	0	Anodyne	ref	BEAARN	CCCC(=O)Nc1ccc(C(=O)OC)cc1	 
CCCC(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000038432	67/07/35/342670735	SXLDAHGNRBNZBT-UHFFFAOYSA-N	0	240.328	BE	2.202	0	Anodyne	ref	BEAARN	CCCC(=O)Nc1sc(C)c(C)c1C(N)=O	 
O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1	ZINC000000038516	34/94/89/182349489	WPHOKOCRXFVQBA-UHFFFAOYSA-N	0	224.191	BE	2.082	0	Bother	ref	BEBARN	O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1	 
Cc1cc(OCC(=O)O)ccc1Cl	ZINC000000038647	20/98/28/178209828	FBGYNJKXMKWETB-UHFFFAOYSA-N	-1	200.621	BE	2.112	0	Anodyne	ref	BEAARM	Cc1cc(OCC(=O)[O-])ccc1Cl	 
Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000000038679	01/70/02/344017002	ULPBJGVRVXWECP-UHFFFAOYSA-N	0	217.228	BE	2.397	0	Bother	ref	BEBARN	Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1	 
CCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000000038762	24/72/17/168247217	XRWOREYTADZPQQ-UHFFFAOYSA-N	0	208.217	BE	2.252	0	Bother	ref	BEBARN	CCC(=O)Nc1cccc([N+](=O)[O-])c1C	 
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccco1	ZINC000000040244	37/15/51/182371551	VOVIUHCZEVLDNA-UHFFFAOYSA-N	0	232.195	BE	2.44	0	Bother	ref	BEBARN	O=C(Nc1cccc([N+](=O)[O-])c1)c1ccco1	 
Nc1ccc(C(=O)NC2CCCCC2)cc1	ZINC000000043840	67/12/38/342671238	KAESCVXWIWIQKP-UHFFFAOYSA-N	0	218.3	BE	2.331	0	Anodyne	ref	BEAARN	Nc1ccc(C(=O)NC2CCCCC2)cc1	 
NC(=O)c1ccc(NC(=O)c2cccs2)cc1	ZINC000000045868	29/90/34/181299034	PBCJPQZRJRNEQT-UHFFFAOYSA-N	0	246.291	BE	2.099	0	Anodyne	ref	BEAARN	NC(=O)c1ccc(NC(=O)c2cccs2)cc1	 
Cc1c(NC(=O)C2CC2)cccc1[N+](=O)[O-]	ZINC000000045874	06/07/43/344060743	FRNWTNZKBHDKLP-UHFFFAOYSA-N	0	220.228	BE	2.252	0	Bother	ref	BEBARN	Cc1c(NC(=O)C2CC2)cccc1[N+](=O)[O-]	 
CC1(C)C[C@H]1C(=O)NCc1ccccc1	ZINC000000046015	40/71/60/187407160	ITZAERWYGNBLCF-NSHDSACASA-N	0	203.285	BE	2.349	0	Anodyne	ref	BEAARN	CC1(C)C[C@H]1C(=O)NCc1ccccc1	 
CC1(C)C[C@@H]1C(=O)NCc1ccccc1	ZINC000000046016	67/12/55/342671255	ITZAERWYGNBLCF-LLVKDONJSA-N	0	203.285	BE	2.349	0	Anodyne	ref	BEAARN	CC1(C)C[C@@H]1C(=O)NCc1ccccc1	 
N#CC(C#N)=NNc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000046485	67/11/90/342671190	IUPSBCHTLCOSAJ-UHFFFAOYSA-N	0	249.617	BE	2.063	0	Mild	ref	BEEARN	N#CC(C#N)=NNc1ccc(Cl)c([N+](=O)[O-])c1	 
O=C(CBr)c1ccc([N+](=O)[O-])cc1	ZINC000000047515	17/70/02/560177002	MBUPVGIGAMCMBT-UHFFFAOYSA-N	0	244.044	BE	2.172	0	Reactive	ref	BEGARN	O=C(CBr)c1ccc([N+](=O)[O-])cc1	in-vitro
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1	ZINC000000053931	09/77/63/344097763	CAKBAYWOHIUVHR-UHFFFAOYSA-N	0	234.255	BE	2.221	0	Bother	ref	BEBARN	O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1	 
Cc1cc(OCC(=O)O)ccc1Br	ZINC000000054738	20/91/97/178209197	XBWSIQZJWUSHEH-UHFFFAOYSA-N	-1	245.072	BE	2.221	0	Anodyne	ref	BEAARM	Cc1cc(OCC(=O)[O-])ccc1Br	 
Cc1ccc(CCNc2ccccc2)c[n+]1[O-]	ZINC000000054760	67/14/86/342671486	FZPYMNOBFYWKFC-UHFFFAOYSA-N	0	228.295	BE	2.283	0	Anodyne	ref	BEAARN	Cc1ccc(CCNc2ccccc2)c[n+]1[O-]	 
COc1ccc(Br)cc1OC	ZINC000000057133	05/13/57/175051357	KBTMGSMZIKLAHN-UHFFFAOYSA-N	0	217.062	BE	2.466	0	Anodyne	ref	BEAARN	COc1ccc(Br)cc1OC	 
CC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1	ZINC000000060673	74/86/65/170748665	UZVRBGFSWNVIHK-SECBINFHSA-N	0	234.299	BE	2.173	0	Anodyne	ref	BEAARN	CC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1	 
CC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1	ZINC000000060674	33/71/25/171337125	UZVRBGFSWNVIHK-VIFPVBQESA-N	0	234.299	BE	2.173	0	Anodyne	ref	BEAARN	CC[C@H](C)NC(=O)c1ccc(NC(C)=O)cc1	 
N#Cc1ccc(NC(=O)C(F)(F)F)cc1	ZINC000000060867	11/76/56/181117656	VPJKIULOCQCMPV-UHFFFAOYSA-N	0	214.146	BE	2.059	0	Mild	ref	BEEARN	N#Cc1ccc(NC(=O)C(F)(F)F)cc1	 
Cc1ccc(NC(=O)CCC(=O)O)cc1Cl	ZINC000000064863	67/24/46/342672446	KIJYTGBTHXHDEZ-UHFFFAOYSA-N	-1	241.674	BE	2.452	0	Anodyne	ref	BEAARM	Cc1ccc(NC(=O)CCC(=O)[O-])cc1Cl	 
OCc1ccccc1CN1CCCCC1	ZINC000000064913	24/46/64/187244664	KZSCBYKUUQJGNN-UHFFFAOYSA-N	0	205.301	BE	2.165	3	Anodyne	high	BEAAHN	OCc1ccccc1CN1CCCCC1	 
OCc1ccccc1CN1CCCCC1	ZINC000000064913	24/46/62/187244662	KZSCBYKUUQJGNN-UHFFFAOYSA-N	0	205.301	BE	2.165	0	Anodyne	ref	BEAARN	OCc1ccccc1C[NH+]1CCCCC1	 
CC1CCN(Cc2ccccc2CO)CC1	ZINC000000064960	18/44/23/168184423	IOAGTZPXEQXRAW-UHFFFAOYSA-N	1	219.328	BE	2.411	0	Anodyne	ref	BEAARO	CC1CC[NH+](Cc2ccccc2CO)CC1	 
Cc1cc(C)n(-c2ccc(C(=O)O)cc2)n1	ZINC000000065045	91/98/39/177919839	LXNGKWBJIIXNBD-UHFFFAOYSA-N	-1	216.24	BE	2.187	0	Anodyne	ref	BEAARM	Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)n1	 
Sc1ncnc2c1cnn2Cc1ccccc1	ZINC000000065284	67/24/51/342672451	SLCUJURZNGAVEX-UHFFFAOYSA-N	-1	242.307	BE	2.163	1	Anodyne	mid	BEAAMM	S=c1[n-]cnc2c1cnn2Cc1ccccc1	 
Sc1ncnc2c1cnn2Cc1ccccc1	ZINC000000065284	67/24/50/342672450	SLCUJURZNGAVEX-UHFFFAOYSA-N	0	242.307	BE	2.163	0	Anodyne	ref	BEAARN	S=c1[nH]cnc2c1cnn2Cc1ccccc1	 
N#Cc1cccc(N2C(=O)c3ccccc3C2=O)c1	ZINC000000065928	13/96/29/181139629	FXHQNXLLFSHPJL-UHFFFAOYSA-N	0	248.241	BE	2.359	0	Mild	ref	BEEARN	N#Cc1cccc(N2C(=O)c3ccccc3C2=O)c1	 
CC(=O)C(=NNc1ccc(C)c(C)c1)C(C)=O	ZINC000000068761	09/91/48/188099148	QLFQCRNWPRWPMO-UHFFFAOYSA-N	0	232.283	BE	2.249	0	Mild	ref	BEEARN	CC(=O)C(=NNc1ccc(C)c(C)c1)C(C)=O	 
Cc1cc(C)n(C(=O)c2ccoc2C)n1	ZINC000000070253	92/21/03/177922103	BOHGQBCPMMXTHJ-UHFFFAOYSA-N	0	204.229	BE	2.09	0	Anodyne	ref	BEAARN	Cc1cc(C)n(C(=O)c2ccoc2C)n1	 
COc1ccc(/C=C2/N=C(C)OC2=O)cc1	ZINC000000070568	04/84/08/175048408	NRQHBNNTBIDSRK-YRNVUSSQSA-N	0	217.224	BE	2.011	0	Anodyne	ref	BEAARN	COc1ccc(/C=C2/N=C(C)OC2=O)cc1	 
Cc1ccc(C)c(OCC(=O)N2CCCC2)c1	ZINC000000070632	48/72/98/178487298	ITRSVSRDFLFYTN-UHFFFAOYSA-N	0	233.311	BE	2.305	0	Anodyne	ref	BEAARN	Cc1ccc(C)c(OCC(=O)N2CCCC2)c1	 
O=C(Oc1ccccc1[N+](=O)[O-])c1ccco1	ZINC000000070834	60/98/22/182609822	VPURSXJZQOVIPV-UHFFFAOYSA-N	0	233.179	BE	2.407	0	Bother	ref	BEBARN	O=C(Oc1ccccc1[N+](=O)[O-])c1ccco1	 
CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000073735	20/20/86/344202086	JLZWKZDHHREXTA-UHFFFAOYSA-N	0	222.244	BE	2.077	0	Bother	ref	BEBARN	CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1	 
O=C(NC[C@H]1CCCO1)c1ccc(Cl)cc1	ZINC000000075765	23/89/53/182238953	ZMMAVVGZVPYQOX-LLVKDONJSA-N	0	239.702	BE	2.249	0	Anodyne	ref	BEAARN	O=C(NC[C@H]1CCCO1)c1ccc(Cl)cc1	 
O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1	ZINC000000075769	24/41/05/187244105	ZMMAVVGZVPYQOX-NSHDSACASA-N	0	239.702	BE	2.249	0	Anodyne	ref	BEAARN	O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1	 
CSc1nsc(SC)c1C#N	ZINC000000075899	59/26/70/175592670	BDBFZCOZJOTIFS-UHFFFAOYSA-N	0	202.329	BE	2.459	0	Mild	ref	BEEARN	CSc1nsc(SC)c1C#N	 
Cc1cc(OCC(=O)O)cc(C)c1Cl	ZINC000000080503	21/03/33/178210333	IJOSXVVFEKXIGN-UHFFFAOYSA-N	-1	214.648	BE	2.42	0	Anodyne	ref	BEAARM	Cc1cc(OCC(=O)[O-])cc(C)c1Cl	in-vitro
COc1ccc(C=O)cc1Br	ZINC000000080723	08/58/72/175085872	QMPNFQLVIGPNEI-UHFFFAOYSA-N	0	215.046	BE	2.27	0	Anodyne	ref	BEAARN	COc1ccc(C=O)cc1Br	 
NC(=O)c1ccccc1NC(=O)c1cccs1	ZINC000000084063	30/67/82/181306782	WHQXFPVRNWOYRE-UHFFFAOYSA-N	0	246.291	BE	2.099	0	Anodyne	ref	BEAARN	NC(=O)c1ccccc1NC(=O)c1cccs1	 
Cc1cc(C)n(/N=C/c2ccccc2O)c(=O)c1	ZINC000000086969	67/37/31/342673731	CGHXCBAQQRNWJI-OQLLNIDSSA-N	-1	242.278	BE	2.053	3	Mild	high	BEEAHM	Cc1cc(C)n(/N=C/c2ccccc2[O-])c(=O)c1	 
Cc1cc(C)n(/N=C/c2ccccc2O)c(=O)c1	ZINC000000086969	67/37/29/342673729	CGHXCBAQQRNWJI-OQLLNIDSSA-N	0	242.278	BE	2.053	0	Mild	ref	BEEARN	Cc1cc(C)n(/N=C/c2ccccc2O)c(=O)c1	 
COC(=O)c1ccc(OC)c(Br)c1	ZINC000000088362	82/35/68/383823568	ZREVPFANJBZHEU-UHFFFAOYSA-N	0	245.072	BE	2.244	0	Anodyne	ref	BEAARN	COC(=O)c1ccc(OC)c(Br)c1	 
Cc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-]	ZINC000000095898	32/87/88/344328788	YCFQKHLDFAJDDT-UHFFFAOYSA-N	0	248.16	BE	2.404	0	Bother	ref	BEBARN	Cc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-]	 
C#CC(C)(C)OC(=O)c1ccc(OC)cc1	ZINC000000096414	11/34/09/166113409	WRGOVRZCLGHFFF-UHFFFAOYSA-N	0	218.252	BE	2.264	0	Mild	ref	BEEARN	C#CC(C)(C)OC(=O)c1ccc(OC)cc1	in-vivo
O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000000101935	11/18/16/182111816	VXQCTWJVIDLLNJ-UHFFFAOYSA-N	0	234.255	BE	2.267	0	Bother	ref	BEBARN	O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1	 
O=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000000101945	26/31/11/182263111	JPHKHMWMYZLRQR-UHFFFAOYSA-N	0	246.222	BE	2.118	0	Bother	ref	BEBARN	O=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1	 
Cc1cc(Br)ccc1OCC(=O)O	ZINC000000103261	72/36/08/177723608	RPRFEMOMSGWISD-UHFFFAOYSA-N	-1	245.072	BE	2.221	0	Anodyne	ref	BEAARM	Cc1cc(Br)ccc1OCC(=O)[O-]	 
CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000000103295	17/62/06/168176206	QVWMUBXYFBHNQU-UHFFFAOYSA-N	0	248.282	BE	2.467	0	Bother	ref	BEBARN	CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	 
CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000103322	40/49/19/344404919	XKXSZQPEOSWWTH-MRVPVSSYSA-N	0	222.244	BE	2.123	0	Bother	ref	BEBARN	CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	 
CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000103325	33/70/31/171337031	XKXSZQPEOSWWTH-QMMMGPOBSA-N	0	222.244	BE	2.123	0	Bother	ref	BEBARN	CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	 
CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000000103326	76/11/55/169761155	CKXQMTJOJKBZGD-UHFFFAOYSA-N	0	222.244	BE	2.077	0	Bother	ref	BEBARN	CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1	 
CCOc1ccc(CC(=O)O)cc1OCC	ZINC000000103350	67/47/97/342674797	FIKUHWAANCXBGJ-UHFFFAOYSA-N	-1	224.256	BE	2.111	0	Anodyne	ref	BEAARM	CCOc1ccc(CC(=O)[O-])cc1OCC	 
O=C(O)[C@H](Cc1ccccc1)n1cccc1	ZINC000000112459	67/50/45/342675045	SSUGRWDGXQIOME-LBPRGKRZSA-N	-1	215.252	BE	2.357	0	Anodyne	ref	BEAARM	O=C([O-])[C@H](Cc1ccccc1)n1cccc1	in-vitro biogenic
O=C(O)[C@@H](Cc1ccccc1)n1cccc1	ZINC000000112462	67/51/37/342675137	SSUGRWDGXQIOME-GFCCVEGCSA-N	-1	215.252	BE	2.357	0	Anodyne	ref	BEAARM	O=C([O-])[C@@H](Cc1ccccc1)n1cccc1	in-vitro biogenic
Cc1cc(C)c(NC(=O)CCC(=O)O)c(C)c1	ZINC000000113260	67/50/56/342675056	PJMRDZKSIBMEJF-UHFFFAOYSA-N	-1	235.283	BE	2.415	0	Anodyne	ref	BEAARM	Cc1cc(C)c(NC(=O)CCC(=O)[O-])c(C)c1	 
N#Cc1sc2nc3c(cc2c1N)CCC3	ZINC000000116661	17/84/04/181178404	BWCIUNYHYANOPV-UHFFFAOYSA-N	0	215.281	BE	2.239	0	Mild	ref	BEEARN	N#Cc1sc2nc3c(cc2c1N)CCC3	 
Nc1ccc2nn(-c3ccccc3)nc2c1	ZINC000000123056	67/57/23/342675723	NIOQXFRLZIIVCT-UHFFFAOYSA-N	0	210.24	BE	2.003	0	Anodyne	ref	BEAARN	Nc1ccc2nn(-c3ccccc3)nc2c1	 
Nc1cccc(NC(=O)c2ccco2)c1	ZINC000000123098	74/61/11/181746111	DNCIKRMVVUFNGX-UHFFFAOYSA-N	0	202.213	BE	2.114	0	Anodyne	ref	BEAARN	Nc1cccc(NC(=O)c2ccco2)c1	 
COc1ccc(C(=O)Nc2nccs2)cc1	ZINC000000123532	06/48/35/175064835	PPERAEKJEHRHOY-UHFFFAOYSA-N	0	234.28	BE	2.404	0	Anodyne	ref	BEAARN	COc1ccc(C(=O)Nc2nccs2)cc1	in-vivo
CC(=O)N1CCc2cc(Br)ccc21	ZINC000000124999	27/24/08/188272408	WQKQAIXOTCPWFE-UHFFFAOYSA-N	0	240.1	BE	2.358	0	Anodyne	ref	BEAARN	CC(=O)N1CCc2cc(Br)ccc21	 
NC(=O)c1cccc(NC(=O)c2ccccc2)c1	ZINC000000125194	30/43/97/181304397	KXRBIKHMBTVXSC-UHFFFAOYSA-N	0	240.262	BE	2.038	0	Anodyne	ref	BEAARN	NC(=O)c1cccc(NC(=O)c2ccccc2)c1	 
COC(=O)CCC(=O)Nc1ccc(Cl)cc1	ZINC000000125238	67/57/24/342675724	QHXXTJHICKIVFA-UHFFFAOYSA-N	0	241.674	BE	2.232	0	Anodyne	ref	BEAARN	COC(=O)CCC(=O)Nc1ccc(Cl)cc1	 
Cc1c(Cc2ccccc2)sc(N)c1C(N)=O	ZINC000000125483	40/77/70/187407770	SVRNCQRVCHVFGG-UHFFFAOYSA-N	0	246.335	BE	2.328	0	Anodyne	ref	BEAARN	Cc1c(Cc2ccccc2)sc(N)c1C(N)=O	aggregator
Nc1ccccc1C(=O)NC1CCCCC1	ZINC000000128301	67/61/12/342676112	AHWGBTCRPVCUBP-UHFFFAOYSA-N	0	218.3	BE	2.331	0	Anodyne	ref	BEAARN	Nc1ccccc1C(=O)NC1CCCCC1	 
Nc1ccccc1C(=O)NCCc1ccccc1	ZINC000000128305	67/61/27/342676127	BVUCIDPYOGNAEQ-UHFFFAOYSA-N	0	240.306	BE	2.241	0	Anodyne	ref	BEAARN	Nc1ccccc1C(=O)NCCc1ccccc1	 
COC(=O)CCC(=O)Nc1ccc(C)cc1C	ZINC000000134024	67/63/15/342676315	SSRAUXMQVDULAA-UHFFFAOYSA-N	0	235.283	BE	2.195	0	Anodyne	ref	BEAARN	COC(=O)CCC(=O)Nc1ccc(C)cc1C	 
NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	ZINC000000134027	29/90/23/181299023	IHUPDLORJYONDM-UHFFFAOYSA-N	0	240.262	BE	2.038	0	Anodyne	ref	BEAARN	NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	 
Nc1ccccc1C(=O)N1CCc2ccccc21	ZINC000000134119	67/64/91/342676491	WBIVLKJODIOWTB-UHFFFAOYSA-N	0	238.29	BE	2.472	0	Anodyne	ref	BEAARN	Nc1ccccc1C(=O)N1CCc2ccccc21	 
Nc1ccccc1C(=O)N1CCCCCC1	ZINC000000134187	67/64/35/342676435	IYVSAXXHASZZBO-UHFFFAOYSA-N	0	218.3	BE	2.285	0	Anodyne	ref	BEAARN	Nc1ccccc1C(=O)N1CCCCCC1	 
O=C(c1ccc(F)cc1)C1CCNCC1	ZINC000000141452	66/06/10/182660610	ABERUOJGWHYBJL-UHFFFAOYSA-N	1	207.248	BE	2.008	0	Anodyne	ref	BEAARO	O=C(c1ccc(F)cc1)C1CC[NH2+]CC1	in-vitro
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000000141883	67/66/22/342676622	YBUXKQSCKVQATK-UHFFFAOYSA-N	-1	248.307	BE	2.07	3	Anodyne	high	BEAAHM	Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	in-man
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000000141883	67/66/19/342676619	YBUXKQSCKVQATK-UHFFFAOYSA-N	0	248.307	BE	2.07	0	Anodyne	ref	BEAARN	Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	in-man
O=C(c1ccc(Br)o1)N1CCCC1	ZINC000000142129	67/65/86/342676586	CHXUGJXTWLFHHF-UHFFFAOYSA-N	0	244.088	BE	2.278	0	Anodyne	ref	BEAARN	O=C(c1ccc(Br)o1)N1CCCC1	 
Cc1ccccc1OCC(=O)NC(C)(C)C	ZINC000000142305	30/90/77/179309077	PNTMIRLQNULKGO-UHFFFAOYSA-N	0	221.3	BE	2.289	0	Anodyne	ref	BEAARN	Cc1ccccc1OCC(=O)NC(C)(C)C	 
O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CC1	ZINC000000142532	35/94/38/182359438	FWZOGKHUWUVWRJ-UHFFFAOYSA-N	0	244.294	BE	2.384	0	Anodyne	ref	BEAARN	O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CC1	 
O=C(Nc1ccccc1NC(=O)C1CC1)C1CC1	ZINC000000142540	37/99/62/182379962	ZZLQBHNIPYXDNO-UHFFFAOYSA-N	0	244.294	BE	2.384	0	Anodyne	ref	BEAARN	O=C(Nc1ccccc1NC(=O)C1CC1)C1CC1	 
Cc1cc(C)cc(NC(=O)CCC(=O)O)c1	ZINC000000142997	67/70/49/342677049	FIUYHKALQQJECD-UHFFFAOYSA-N	-1	221.256	BE	2.107	0	Anodyne	ref	BEAARM	Cc1cc(C)cc(NC(=O)CCC(=O)[O-])c1	 
COC(=O)c1c(N)sc(/C(C)=C/C#N)c1C	ZINC000000143051	60/60/20/263606020	GBRLJASBMJWAOD-GQCTYLIASA-N	0	236.296	BE	2.352	0	Reactive	ref	BEGARN	COC(=O)c1c(N)sc(/C(C)=C/C#N)c1C	 
Cc1cc(C)n(C(=O)c2cccs2)n1	ZINC000000143187	67/69/90/342676990	JAJPDRXLBIESQE-UHFFFAOYSA-N	0	206.27	BE	2.25	0	Anodyne	ref	BEAARN	Cc1cc(C)n(C(=O)c2cccs2)n1	 
COC(=O)CCC(=O)Nc1cc(C)ccc1C	ZINC000000143394	67/70/52/342677052	VKDSCVMZULZEKS-UHFFFAOYSA-N	0	235.283	BE	2.195	0	Anodyne	ref	BEAARN	COC(=O)CCC(=O)Nc1cc(C)ccc1C	 
Cc1ccc(NC(=O)CCC(=O)O)c(C)c1	ZINC000000143397	67/70/85/342677085	HQTDVYMOUQKBBR-UHFFFAOYSA-N	-1	221.256	BE	2.107	0	Anodyne	ref	BEAARM	Cc1ccc(NC(=O)CCC(=O)[O-])c(C)c1	 
N#Cc1ccccc1NC(=O)c1ccco1	ZINC000000143466	14/77/68/181147768	QCNXVZBZYFOHMV-UHFFFAOYSA-N	0	212.208	BE	2.404	0	Mild	ref	BEEARN	N#Cc1ccccc1NC(=O)c1ccco1	 
Cc1ccc(OCC(=O)O)c(Br)c1	ZINC000000143585	67/69/86/342676986	SIAQBSDQFZWINQ-UHFFFAOYSA-N	-1	245.072	BE	2.221	0	Anodyne	ref	BEAARM	Cc1ccc(OCC(=O)[O-])c(Br)c1	 
CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000146671	56/46/15/344564615	FHLKNAGHERYTJV-UHFFFAOYSA-N	0	222.244	BE	2.123	0	Bother	ref	BEBARN	CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1	 
N#Cc1cccc(NC(=O)c2ccncc2)c1	ZINC000000150550	36/30/65/369363065	FUHAIHTUMUMQEW-UHFFFAOYSA-N	0	223.235	BE	2.206	0	Mild	ref	BEEARN	N#Cc1cccc(NC(=O)c2ccncc2)c1