COC[C@@H](N)C(=O)NCc1ccccc1	ZINC000000024409	08/37/21/491083721	WPLANNRKFDHEKD-SNVBAGLBSA-N	0	208.261	BC	0.277	1	Anodyne	mid	BCAAMN	COC[C@@H](N)C(=O)NCc1ccccc1	world
COC[C@@H](N)C(=O)NCc1ccccc1	ZINC000000024409	08/37/20/491083720	WPLANNRKFDHEKD-SNVBAGLBSA-N	1	208.261	BC	0.277	0	Anodyne	ref	BCAARO	COC[C@@H]([NH3+])C(=O)NCc1ccccc1	world
CN(C)S(=O)(=O)Nc1cccc(N)c1	ZINC000000035131	67/04/35/342670435	VGFFBNNZWLMHDF-UHFFFAOYSA-N	0	215.278	BC	0.487	0	Anodyne	ref	BCAARN	CN(C)S(=O)(=O)Nc1cccc(N)c1	 
COC(=O)C(=NNc1ccccc1)C(=O)OC	ZINC000000050737	81/93/45/383819345	VUPNAUFFUWYQSS-UHFFFAOYSA-N	0	236.227	BC	0.8	0	Mild	ref	BCEARN	COC(=O)C(N=Nc1ccccc1)C(=O)OC	 
Nc1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000000052111	72/11/51/181721151	WGXAEWROXXXTPJ-UHFFFAOYSA-N	0	236.271	BC	0.506	0	Clean	ref	BCCARN	Nc1ccc(OCC(=O)N2CCOCC2)cc1	 
NNc1nnc2c(n1)[nH]c1ccccc12	ZINC000000053158	67/17/36/342671736	YLPMAXDBFIGJGF-UHFFFAOYSA-N	0	200.205	BC	0.792	2	Anodyne	low	BCAALN	NNc1[n-]c2nc3ccccc3c-2n[nH+]1	 
NNc1nnc2c(n1)[nH]c1ccccc12	ZINC000000053158	67/17/35/342671735	YLPMAXDBFIGJGF-UHFFFAOYSA-N	-1	200.205	BC	0.792	0	Anodyne	ref	BCAARM	NNc1nnc2c3ccccc3nc-2[n-]1	 
CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl	ZINC000000066417	92/36/77/187923677	AQSIXLYSCABSLD-UHFFFAOYSA-N	0	248.691	BC	0.946	0	Anodyne	ref	BCAARN	CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl	 
Cn1c(=O)n(C)c2cc([N+](=O)[O-])ccc21	ZINC000000073664	67/27/10/342672710	HGEXWKZJLRGOOB-UHFFFAOYSA-N	0	207.189	BC	0.785	0	Bother	ref	BCBARN	Cn1c(=O)n(C)c2cc([N+](=O)[O-])ccc21	 
NC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000000077470	22/33/23/181223323	DVPXSKBBAJCTJS-UHFFFAOYSA-N	0	218.212	BC	0.158	0	Anodyne	ref	BCAARN	NC(=O)CCN1C(=O)c2ccccc2C1=O	 
Cc1cc(F)ccc1S(=O)(=O)NCC(=O)O	ZINC000000081769	09/18/06/178091806	GKTIRCMUAIDOMF-UHFFFAOYSA-N	-1	247.247	BC	0.497	0	Anodyne	ref	BCAARM	Cc1cc(F)ccc1S(=O)(=O)NCC(=O)[O-]	 
Nc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1	ZINC000000085288	67/36/49/342673649	UUADWYZGUGMKLK-UHFFFAOYSA-N	0	237.646	BC	0.761	0	Anodyne	ref	BCAARN	Nc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1	 
COc1cc(C[C@H](N)C(=O)O)ccc1O	ZINC000000085742	67/38/93/342673893	PFDUUKDQEHURQC-ZETCQYMHSA-N	0	211.217	BC	0.355	0	Anodyne	ref	BCAARN	COc1cc(C[C@H]([NH3+])C(=O)[O-])ccc1O	world endogenous
Cc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O	ZINC000000086554	67/37/62/342673762	KKSJTNGNALMJSN-UHFFFAOYSA-N	-1	219.196	BC	0.676	0	Anodyne	ref	BCAARM	Cc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O	in-vitro biogenic
O=C(O)[C@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000000087585	67/37/49/342673749	LLDMBHVTPHCTOT-JTQLQIEISA-N	-1	249.266	BC	0.998	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1CC(=O)N(CCOc2ccccc2)C1	 
O=C(O)[C@@H]1CC(=O)N(CCOc2ccccc2)C1	ZINC000000087587	67/38/97/342673897	LLDMBHVTPHCTOT-SNVBAGLBSA-N	-1	249.266	BC	0.998	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CC(=O)N(CCOc2ccccc2)C1	 
COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1	ZINC000000088687	13/94/26/175139426	XIQFJODEOCNRBV-QMMMGPOBSA-N	0	234.255	BC	0.533	0	Anodyne	ref	BCAARN	COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1	 
COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1	ZINC000000088691	14/01/23/175140123	XIQFJODEOCNRBV-MRVPVSSYSA-N	0	234.255	BC	0.533	0	Anodyne	ref	BCAARN	COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1	 
CCOC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000000095016	23/79/11/170237911	XQUYPKGOLQYZRE-UHFFFAOYSA-N	0	227.22	BC	0.971	0	Bother	ref	BCBARN	CCOC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	 
CC(=O)C[C@]1(O)C(=O)N(C)c2ccccc21	ZINC000000107604	82/79/35/383827935	XAVUSUJIDHHQOA-GFCCVEGCSA-N	0	219.24	BC	0.83	0	Anodyne	ref	BCAARN	CC(=O)C[C@]1(O)C(=O)N(C)c2ccccc21	 
CC(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21	ZINC000000107606	67/47/99/342674799	XAVUSUJIDHHQOA-LBPRGKRZSA-N	0	219.24	BC	0.83	0	Anodyne	ref	BCAARN	CC(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21	 
N[C@@H](Cc1c(F)cccc1F)C(=O)O	ZINC000000113765	67/51/45/342675145	RFOVYDPRGDZBLJ-QMMMGPOBSA-N	0	201.172	BC	0.919	0	Anodyne	ref	BCAARN	[NH3+][C@@H](Cc1c(F)cccc1F)C(=O)[O-]	 
N[C@H](Cc1c(F)cccc1F)C(=O)O	ZINC000000113769	62/37/91/181623791	RFOVYDPRGDZBLJ-MRVPVSSYSA-N	0	201.172	BC	0.919	0	Anodyne	ref	BCAARN	[NH3+][C@H](Cc1c(F)cccc1F)C(=O)[O-]	 
COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	ZINC000000120622	01/88/73/175018873	KWNQIIMVPSMYEM-UHFFFAOYSA-N	0	222.2	BC	0.234	0	Anodyne	ref	BCAARN	COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	 
COc1c(C(=O)O)cnc2c1c(C)nn2C	ZINC000000125153	91/91/69/174919169	FGSLAFUKFLYMRQ-UHFFFAOYSA-N	-1	221.216	BC	0.984	0	Anodyne	ref	BCAARM	COc1c(C(=O)[O-])cnc2c1c(C)nn2C	 
NC(=O)c1cccc(NC(=O)CCC(=O)O)c1	ZINC000000125372	30/44/00/181304400	IQDYBIOBYSQBQY-UHFFFAOYSA-N	-1	236.227	BC	0.589	0	Anodyne	ref	BCAARM	NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	 
CN1c2ccsc2C(=O)CS1(=O)=O	ZINC000000126220	20/88/02/173208802	XRHDVPTVXFETBP-UHFFFAOYSA-N	-1	217.271	BC	0.71	0	Anodyne	ref	BCAARM	CN1c2ccsc2C([O-])=CS1(=O)=O	 
CCOC(=O)c1cnn(C(=O)OCC)c1N	ZINC000000127735	30/29/94/170302994	IXDAMGOOPXGHDW-UHFFFAOYSA-N	0	227.22	BC	0.647	0	Anodyne	ref	BCAARN	CCOC(=O)c1cnn(C(=O)OCC)c1N	 
CC(=O)N[C@@H](Cc1cccs1)C(=O)O	ZINC000000128389	24/12/14/385241214	FSFVGPGABHYRPJ-QMMMGPOBSA-N	-1	213.258	BC	0.88	0	Anodyne	ref	BCABRM	CC(=O)N[C@@H](Cc1cccs1)C(=O)[O-]	 
Nc1c(C(=O)O)nnn1Cc1ccccc1	ZINC000000129249	67/60/26/342676026	BKIMAZAMIHCYRZ-UHFFFAOYSA-N	-1	218.216	BC	0.607	0	Anodyne	ref	BCAARM	Nc1c(C(=O)[O-])nnn1Cc1ccccc1	 
O=C(O)c1ccc(Nc2cn[nH]c(=O)n2)cc1	ZINC000000139185	67/66/72/342676672	BVRVTWURSJWCEB-UHFFFAOYSA-N	-2	232.199	BC	0.607	3	Anodyne	high	BCAAHL	O=C([O-])c1ccc(Nc2cnnc(=O)[n-]2)cc1	 
O=C(O)c1ccc(Nc2cn[nH]c(=O)n2)cc1	ZINC000000139185	67/66/70/342676670	BVRVTWURSJWCEB-UHFFFAOYSA-N	-1	232.199	BC	0.607	0	Anodyne	ref	BCAARM	O=C([O-])c1ccc(Nc2cnnc(=O)[nH]2)cc1	 
O=C(O)c1sc(C(=O)O)c2c1OCCO2	ZINC000000139848	67/66/65/342676665	NWIYUAISDYJVMZ-UHFFFAOYSA-N	-2	230.197	BC	0.916	0	Anodyne	ref	BCAARL	O=C([O-])c1sc(C(=O)[O-])c2c1OCCO2	 
Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1	ZINC000000143032	67/70/35/342677035	XRVGYXMTPUOWHQ-MRVPVSSYSA-N	0	205.217	BC	0.539	0	Anodyne	ref	BCAARN	Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1	 
Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1	ZINC000000143034	67/70/09/342677009	XRVGYXMTPUOWHQ-QMMMGPOBSA-N	0	205.217	BC	0.539	0	Anodyne	ref	BCAARN	Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1	 
Cc1c(C(N)=O)sc2nc[nH]c(=O)c12	ZINC000000149878	67/69/76/342676976	SZXREMIPKYVHKQ-UHFFFAOYSA-N	0	209.23	BC	0.392	0	Anodyne	ref	BCAARN	Cc1c(C(N)=O)sc2[nH]cnc(=O)c12	 
CS(=O)(=O)c1cccc(CC(=O)O)c1	ZINC000000154068	43/88/80/175438880	RUGDYDBEYAHJCD-UHFFFAOYSA-N	-1	214.242	BC	0.717	0	Anodyne	ref	BCAARM	CS(=O)(=O)c1cccc(CC(=O)[O-])c1	 
CS(=O)(=O)c1ccc(F)cc1C(=O)O	ZINC000000154127	83/60/86/383836086	UYODNSHQTPLEAS-UHFFFAOYSA-N	-1	218.205	BC	0.927	0	Anodyne	ref	BCAARM	CS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	 
CS(=O)(=O)c1ccc(N2CCNCC2)cc1	ZINC000000154150	31/29/44/132312944	KNQFDOLIXOOIGX-UHFFFAOYSA-N	0	240.328	BC	0.5	3	Anodyne	high	BCAAHN	CS(=O)(=O)c1ccc(N2CCNCC2)cc1	 
CS(=O)(=O)c1ccc(N2CCNCC2)cc1	ZINC000000154150	31/29/43/132312943	KNQFDOLIXOOIGX-UHFFFAOYSA-N	1	240.328	BC	0.5	0	Anodyne	ref	BCAARO	CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)cc1	 
COc1cc(OC)nc(C2CCNCC2)n1	ZINC000000154373	01/16/25/175011625	KLBDSBXBSWXRQE-UHFFFAOYSA-N	1	223.276	BC	0.961	0	Anodyne	ref	BCAARO	COc1cc(OC)nc(C2CC[NH2+]CC2)n1	 
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)O	ZINC000000156034	67/78/26/342677826	IOQIWWTVXOPYQR-APPZFPTMSA-N	-1	223.228	BC	0.25	0	Anodyne	ref	BCAARM	C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)[O-]	 
COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O	ZINC000000156040	67/77/12/342677712	KHOWDUMYRBCHAC-SCZZXKLOSA-N	0	237.255	BC	0.339	0	Anodyne	ref	BCAARN	COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O	 
COc1cc(C(=O)O)c(N)c(OC)c1OC	ZINC000000156108	94/94/51/174949451	JSHSRQCOCMIIPA-UHFFFAOYSA-N	-1	227.216	BC	0.993	0	Anodyne	ref	BCAARM	COc1cc(C(=O)[O-])c(N)c(OC)c1OC	 
O=C1c2ccccc2C(=O)N1C[C@H]1CNCCO1	ZINC000000160588	83/65/95/383836595	UXEHWYCZZGPXOH-SECBINFHSA-N	0	246.266	BC	0.271	3	Anodyne	high	BCAAHN	O=C1c2ccccc2C(=O)N1C[C@H]1CNCCO1	 
O=C1c2ccccc2C(=O)N1C[C@H]1CNCCO1	ZINC000000160588	83/65/92/383836592	UXEHWYCZZGPXOH-SECBINFHSA-N	1	246.266	BC	0.271	0	Anodyne	ref	BCAARO	O=C1c2ccccc2C(=O)N1C[C@H]1C[NH2+]CCO1	 
O=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1	ZINC000000160590	84/47/06/182844706	UXEHWYCZZGPXOH-VIFPVBQESA-N	0	246.266	BC	0.271	3	Anodyne	high	BCAAHN	O=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1	 
O=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1	ZINC000000160590	84/47/04/182844704	UXEHWYCZZGPXOH-VIFPVBQESA-N	1	246.266	BC	0.271	0	Anodyne	ref	BCAARO	O=C1c2ccccc2C(=O)N1C[C@@H]1C[NH2+]CCO1	 
COC(=O)c1nc2ccccc2[n+]([O-])c1C	ZINC000000161490	67/84/42/342678442	PMOVVYDWLXSPQT-UHFFFAOYSA-N	0	218.212	BC	0.963	0	Anodyne	ref	BCAARN	COC(=O)c1nc2ccccc2[n+]([O-])c1C	 
CN(C)c1ccc([C@@H]2NC(=O)NC2=O)cc1	ZINC000000175688	20/67/56/363206756	HUOFPHFQDQGVOV-VIFPVBQESA-N	-1	219.244	BC	0.633	3	Clean	high	BCCAHM	CN(C)c1ccc([C@@H]2NC(=O)[N-]C2=O)cc1	 
CN(C)c1ccc([C@@H]2NC(=O)NC2=O)cc1	ZINC000000175688	20/67/52/363206752	HUOFPHFQDQGVOV-VIFPVBQESA-N	0	219.244	BC	0.633	0	Clean	ref	BCCARN	CN(C)c1ccc([C@@H]2NC(=O)NC2=O)cc1	 
CN(C)c1ccc([C@H]2NC(=O)NC2=O)cc1	ZINC000000175690	20/60/42/363206042	HUOFPHFQDQGVOV-SECBINFHSA-N	-1	219.244	BC	0.633	3	Clean	high	BCCAHM	CN(C)c1ccc([C@H]2NC(=O)[N-]C2=O)cc1	 
CN(C)c1ccc([C@H]2NC(=O)NC2=O)cc1	ZINC000000175690	20/60/31/363206031	HUOFPHFQDQGVOV-SECBINFHSA-N	0	219.244	BC	0.633	0	Clean	ref	BCCARN	CN(C)c1ccc([C@H]2NC(=O)NC2=O)cc1	 
COC(=O)c1cc(S(N)(=O)=O)c(C)o1	ZINC000000180478	84/25/55/383842555	LRJHVVIFYRYWGZ-UHFFFAOYSA-N	0	219.218	BC	0.022	0	Anodyne	ref	BCAARN	COC(=O)c1cc(S(N)(=O)=O)c(C)o1	 
O=C(O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1	ZINC000000235610	50/62/48/182506248	UOQRZCNCICUPJO-BDAKNGLRSA-N	-1	205.213	BC	0.601	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1C(=O)NC[C@@H]1c1ccccc1	 
O=C(O)[C@@H]1C(=O)NC[C@H]1c1ccccc1	ZINC000000235616	68/08/39/342680839	UOQRZCNCICUPJO-IUCAKERBSA-N	-1	205.213	BC	0.601	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1C(=O)NC[C@H]1c1ccccc1	 
O=C(O)[C@H]1C(=O)NC[C@@H]1c1ccccc1	ZINC000000235617	68/09/18/342680918	UOQRZCNCICUPJO-RKDXNWHRSA-N	-1	205.213	BC	0.601	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1C(=O)NC[C@@H]1c1ccccc1	 
O=C(O)[C@H]1C(=O)NC[C@H]1c1ccccc1	ZINC000000235619	68/09/12/342680912	UOQRZCNCICUPJO-DTWKUNHWSA-N	-1	205.213	BC	0.601	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1C(=O)NC[C@H]1c1ccccc1	 
O=C(N[C@@H]1CSC[C@H]1O)c1ccccc1	ZINC000000236559	31/66/48/182316648	ZQHSEPZRRTWBRY-NXEZZACHSA-N	0	223.297	BC	0.893	0	Anodyne	ref	BCAARN	O=C(N[C@@H]1CSC[C@H]1O)c1ccccc1	 
Nc1cccc2c1C(=O)N(CCCC(=O)O)C2=O	ZINC000000241015	68/11/42/342681142	OEJGABYPZWARAR-UHFFFAOYSA-N	-1	248.238	BC	0.73	0	Anodyne	ref	BCAARM	Nc1cccc2c1C(=O)N(CCCC(=O)[O-])C2=O	 
COc1cccc2cc(C(N)=O)c(=O)oc12	ZINC000000245098	30/69/73/175306973	ISFMQIFPKSHWRC-UHFFFAOYSA-N	0	219.196	BC	0.9	0	Anodyne	ref	BCAARN	COc1cccc2cc(C(N)=O)c(=O)oc12	 
CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1C(=O)OCC	ZINC000000261941	28/31/15/170283115	MCNKHXZIPATURB-YUMQZZPRSA-N	0	246.259	BC	0.633	0	Anodyne	ref	BCAARN	CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1C(=O)OCC	 
Cc1cc([N+](=O)[O-])nn1CCCC(=O)O	ZINC000000266310	27/55/58/178275558	VYLGYJSYRJTZMP-UHFFFAOYSA-N	-1	213.193	BC	0.965	0	Bother	ref	BCBARM	Cc1cc([N+](=O)[O-])nn1CCCC(=O)[O-]	 
O=C(O)CN1Cc2ccc([N+](=O)[O-])cc2C1=O	ZINC000000266929	99/26/86/383992686	CGLRVRCSFIJQGS-UHFFFAOYSA-N	-1	236.183	BC	0.635	0	Bother	ref	BCBARM	O=C([O-])CN1Cc2ccc([N+](=O)[O-])cc2C1=O	 
C[C@](N)(C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000322427	05/22/08/384052208	CKVZILNVXVAJQX-PSASIEDQSA-N	0	240.215	BC	0.43	0	Bother	ref	BCBARN	C[C@]([NH3+])(C(=O)[O-])[C@H](O)c1ccc([N+](=O)[O-])cc1	 
C[C@@](N)(C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000322430	51/13/13/176511313	CKVZILNVXVAJQX-SCZZXKLOSA-N	0	240.215	BC	0.43	0	Bother	ref	BCBARN	C[C@@]([NH3+])(C(=O)[O-])[C@H](O)c1ccc([N+](=O)[O-])cc1	 
C[C@](N)(C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000322432	44/36/68/177443668	CKVZILNVXVAJQX-WCBMZHEXSA-N	0	240.215	BC	0.43	0	Bother	ref	BCBARN	C[C@]([NH3+])(C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	 
C[C@@](N)(C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000322434	69/54/01/344695401	CKVZILNVXVAJQX-WPRPVWTQSA-N	0	240.215	BC	0.43	0	Bother	ref	BCBARN	C[C@@]([NH3+])(C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1	 
O=c1[nH]c(=O)c2cc([N+](=O)[O-])ccc2[nH]1	ZINC000000330539	96/98/40/182969840	TWJZVXRMXVNSIE-UHFFFAOYSA-N	0	207.145	BC	0.125	0	Bother	ref	BCBARN	O=c1[nH]c(=O)c2cc([N+](=O)[O-])ccc2[nH]1	 
CC(C)[C@H](NC(=O)c1cccnc1)C(=O)O	ZINC000000332690	27/31/09/188273109	QBWUAJGXNZOAQO-VIFPVBQESA-N	-1	222.244	BC	0.921	0	Anodyne	ref	BCAARM	CC(C)[C@H](NC(=O)c1cccnc1)C(=O)[O-]	 
CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)O	ZINC000000332691	85/35/41/383853541	QBWUAJGXNZOAQO-SECBINFHSA-N	-1	222.244	BC	0.921	0	Anodyne	ref	BCAARM	CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)[O-]	 
CCOC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000000343406	23/79/38/170237938	XMPREPGUGSKZIE-UHFFFAOYSA-N	0	213.193	BC	0.663	0	Bother	ref	BCBARN	CCOC(=O)Cn1cc([N+](=O)[O-])nc1C	 
CCOC(=O)c1cnc2sccn2c1=O	ZINC000000366855	30/26/35/170302635	SEEBZSXGWQRHLB-UHFFFAOYSA-N	0	224.241	BC	0.933	0	Anodyne	ref	BCAARN	CCOC(=O)c1cnc2sccn2c1=O	 
Cc1nn(C)cc1CNC(=O)CCC(=O)O	ZINC000000371520	85/95/29/383859529	LVVBDRJETCPMPQ-UHFFFAOYSA-N	-1	225.248	BC	0.21	0	Anodyne	ref	BCAARM	Cc1nn(C)cc1CNC(=O)CCC(=O)[O-]	 
CCOC(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000000373194	28/99/68/170289968	VDHKTDCTKTZYQI-UHFFFAOYSA-N	0	213.193	BC	0.813	0	Bother	ref	BCBARN	CCOC(=O)c1c([N+](=O)[O-])c(C)nn1C	 
Cc1cc(-c2nnc(S)n2C)nn1C	ZINC000000373201	68/54/48/342685448	ZJIKYCCYGRSXEB-UHFFFAOYSA-N	0	209.278	BC	0.813	0	Anodyne	ref	BCAARN	Cc1cc(C2N=NC(=S)N2C)nn1C	 
COC(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1	ZINC000000373450	68/53/55/342685355	NQZIHBUUPPMPTI-YFKPBYRVSA-N	0	229.192	BC	0.534	0	Bother	ref	BCBARN	COC(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1	 
COC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1	ZINC000000373452	69/66/16/173696616	NQZIHBUUPPMPTI-RXMQYKEDSA-N	0	229.192	BC	0.534	0	Bother	ref	BCBARN	COC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1	 
O=C(O)CCn1nnc(-c2ccccc2)n1	ZINC000000376963	45/76/01/182457601	GLOFATPXSACMFD-UHFFFAOYSA-N	-1	218.216	BC	0.815	0	Anodyne	ref	BCAARM	O=C([O-])CCn1nnc(-c2ccccc2)n1	 
CCN(CC)S(=O)(=O)N(CC)CC	ZINC000000391938	68/57/78/342685778	IYIAWAACGTUPCC-UHFFFAOYSA-N	0	208.327	BC	0.915	0	Anodyne	ref	BCAARN	CCN(CC)S(=O)(=O)N(CC)CC	 
O=CN[C@@H](Cc1ccc(O)cc1)C(=O)O	ZINC000000393708	41/10/28/574411028	ROUWPHMRHBMAFE-VIFPVBQESA-N	-1	209.201	BC	0.134	0	Anodyne	ref	BCAARM	O=CN[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	in-vitro endogenous
COC(=O)C12C3C4C1C1C2C3C41C(=O)OC	ZINC000000395625	68/63/45/342686345	OXBMFCGRQJNAOY-UHFFFAOYSA-N	0	220.224	BC	0.07	0	Anodyne	ref	BCAARN	COC(=O)C12C3C4C1C1C2C3C41C(=O)OC	 
CCCc1nnc(SCC(=O)O)n1N	ZINC000000396024	68/62/78/342686278	MMMSXTGJVFHQHI-UHFFFAOYSA-N	-1	216.266	BC	0.121	0	Anodyne	ref	BCAARM	CCCc1nnc(SCC(=O)[O-])n1N	 
O=C1C[C@H](S(=O)(=O)c2ccccc2)N1	ZINC000000403312	68/67/78/342686778	HTSFUAPDRXCYDV-VIFPVBQESA-N	0	211.242	BC	0.306	0	Anodyne	ref	BCAARN	O=C1C[C@H](S(=O)(=O)c2ccccc2)N1	 
O=C1C[C@@H](S(=O)(=O)c2ccccc2)N1	ZINC000000403313	68/66/77/342686677	HTSFUAPDRXCYDV-SECBINFHSA-N	0	211.242	BC	0.306	0	Anodyne	ref	BCAARN	O=C1C[C@@H](S(=O)(=O)c2ccccc2)N1	 
CCc1ccc(S(=O)(=O)NN)cc1	ZINC000000404166	86/42/46/383864246	HFFPBYCLXZTVRB-UHFFFAOYSA-N	0	200.263	BC	0.401	0	Anodyne	ref	BCAARN	CCc1ccc(S(=O)(=O)NN)cc1	 
Nc1ccc(S(=O)(=O)CCO)cc1	ZINC000000406014	68/69/56/342686956	CSCNRHJJGXZFGX-UHFFFAOYSA-N	0	201.247	BC	0.035	0	Anodyne	ref	BCAARN	Nc1ccc(S(=O)(=O)CCO)cc1	 
Sc1nnnn1-c1ccc2c(c1)OCCO2	ZINC000000415234	31/65/39/183316539	DILPOVAXGZUMTO-UHFFFAOYSA-N	-1	236.256	BC	0.722	0	Anodyne	ref	BCAARM	S=c1[n-]nnn1-c1ccc2c(c1)OCCO2	 
COc1cccc(-c2nnn(CC(=O)O)n2)c1	ZINC000000416108	23/76/82/175237682	GNGONLZPSUVJAK-UHFFFAOYSA-N	-1	234.215	BC	0.433	0	Anodyne	ref	BCAARM	COc1cccc(-c2nnn(CC(=O)[O-])n2)c1	 
COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1	ZINC000000503640	02/96/43/175029643	XAIOLTHASPQESG-UHFFFAOYSA-N	-1	218.212	BC	0.739	3	Anodyne	high	BCAAHM	COc1ccc(-c2cc(=O)[n-]c(=O)[nH]2)cc1	 
COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1	ZINC000000503640	02/96/40/175029640	XAIOLTHASPQESG-UHFFFAOYSA-N	0	218.212	BC	0.739	0	Anodyne	ref	BCAARN	COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1	 
CC(=O)c1c(N)nc2n(c1=O)CCCCC2	ZINC000000522303	43/63/90/166436390	BPDIOMDTRIGBDO-UHFFFAOYSA-N	0	221.26	BC	0.754	0	Anodyne	ref	BCAARN	CC(=O)c1c(N)nc2n(c1=O)CCCCC2	 
CC(=O)N1CCN(c2ccccc2N)CC1	ZINC000000533049	87/51/10/383875110	PRAAXUFHOPUWRQ-UHFFFAOYSA-N	0	219.288	BC	0.937	0	Anodyne	ref	BCAARN	CC(=O)N1CCN(c2ccccc2N)CC1	 
CCOC(=O)Cn1ncc2ccccc2c1=O	ZINC000000539127	23/74/80/170237480	QPVUXEHJLLUSPR-UHFFFAOYSA-N	0	232.239	BC	0.96	0	Anodyne	ref	BCAARN	CCOC(=O)Cn1ncc2ccccc2c1=O	in-vitro biogenic
CS(=O)(=O)N1CCc2cc(C(=O)O)ccc21	ZINC000000615416	87/67/30/383876730	JNMXVSCEGKFVJR-UHFFFAOYSA-N	-1	241.268	BC	0.707	0	Anodyne	ref	BCAARM	CS(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21	 
c1cc2c(cc1N1CCNCC1)OCCO2	ZINC000000778751	88/07/44/383880744	FBKOLJGPLNOPEN-UHFFFAOYSA-N	0	220.272	BC	0.867	3	Clean	high	BCCAHN	c1cc2c(cc1N1CCNCC1)OCCO2	 
c1cc2c(cc1N1CCNCC1)OCCO2	ZINC000000778751	88/07/34/383880734	FBKOLJGPLNOPEN-UHFFFAOYSA-N	1	220.272	BC	0.867	0	Clean	ref	BCCARO	c1cc2c(cc1N1CC[NH2+]CC1)OCCO2	 
NC(=O)c1ccc(N2CCCC2)c(N)c1	ZINC000000785073	29/76/53/181297653	VANPPMZMBVEQLB-UHFFFAOYSA-N	0	205.261	BC	0.968	0	Anodyne	ref	BCAARN	NC(=O)c1ccc(N2CCCC2)c(N)c1	 
Cc1cccn2c(=O)c(C=O)c(N(C)C)nc12	ZINC000000798970	35/42/53/179354253	NPXFILYIEWTDDC-UHFFFAOYSA-N	0	231.255	BC	0.881	0	Anodyne	ref	BCAARN	Cc1cccn2c(=O)c(C=O)c(N(C)C)nc12	 
Cc1nc2ccccc2c(=O)n1CC(=O)O	ZINC000000904178	10/19/23/180101923	NIRPYXSTQBPOLJ-UHFFFAOYSA-N	-1	218.212	BC	0.79	0	Anodyne	ref	BCAARM	Cc1nc2ccccc2c(=O)n1CC(=O)[O-]