COc1c2c(cc3c1[C@@H](O)N(C)CC3)OCO2	ZINC000000000186	66/92/89/342669289	PAPMYQLKLNRZIR-GFCCVEGCSA-N	0	237.255	BC	0.903	0	Anodyne	ref	BCAARN	COc1c2c(cc3c1[C@@H](O)N(C)CC3)OCO2	in-vitro biogenic
O=C(O)C[C@H](NCc1ccccc1)C(=O)O	ZINC000000009349	48/20/84/182482084	RKSKSWSMXZYPFW-VIFPVBQESA-N	-1	223.228	BC	0.704	0	Anodyne	ref	BCAARM	O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	in-vitro biogenic
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O	ZINC000000020255	08/37/57/491083757	CJCSPKMFHVPWAR-JTQLQIEISA-N	0	211.217	BC	0.442	0	Clean	ref	BCCARN	C[C@]([NH3+])(Cc1ccc(O)c(O)c1)C(=O)[O-]	fda endogenous
COC(=O)CNC(=O)c1ccccc1C	ZINC000000029647	66/99/89/342669989	MAMKIKKUMOLVSD-UHFFFAOYSA-N	0	207.229	BC	0.898	0	Anodyne	ref	BCAARN	COC(=O)CNC(=O)c1ccccc1C	 
Cc1[nH]c(=O)[nH]c(=O)c1Br	ZINC000000032330	67/03/23/342670323	HEAXNUZNYDEXFG-UHFFFAOYSA-N	-1	205.011	BC	0.134	1	Anodyne	mid	BCAAMM	Cc1[nH]c(=O)[n-]c(=O)c1Br	in-vitro biogenic
Cc1[nH]c(=O)[nH]c(=O)c1Br	ZINC000000032330	67/03/22/342670322	HEAXNUZNYDEXFG-UHFFFAOYSA-N	0	205.011	BC	0.134	0	Anodyne	ref	BCAARN	Cc1[nH]c(=O)[nH]c(=O)c1Br	in-vitro biogenic
CCOC(=O)c1cc(C(=O)OCC)n(C)n1	ZINC000000032357	29/08/15/170290815	WPKJUUKSWNCKPZ-UHFFFAOYSA-N	0	226.232	BC	0.774	0	Anodyne	ref	BCAARN	CCOC(=O)c1cc(C(=O)OCC)n(C)n1	 
O=C(NC1CC1)c1n[nH]c(=O)c2ccccc12	ZINC000000033689	10/23/76/182102376	HLDLHCTVQIBNKZ-UHFFFAOYSA-N	0	229.239	BC	0.815	0	Anodyne	ref	BCAARN	O=C(NC1CC1)c1n[nH]c(=O)c2ccccc12	 
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)c1c(Br)cnn1C	ZINC000000035730	81/87/54/383818754	XOGHZBXSBLBJHQ-UHFFFAOYSA-N	0	219.038	BC	0.969	0	Anodyne	ref	BCAARN	COC(=O)c1c(Br)cnn1C	 
CC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000000036650	75/49/49/187754949	STMRGLKPBJVVEG-UHFFFAOYSA-N	0	203.197	BC	0.872	0	Anodyne	ref	BCAARN	CC(=O)CN1C(=O)c2ccccc2C1=O	in-vitro
COc1ccc(C(=O)NCC(=O)O)cc1	ZINC000000038797	05/83/17/175058317	SIEIOUWSTGWJGE-UHFFFAOYSA-N	-1	209.201	BC	0.51	0	Anodyne	ref	BCAARM	COc1ccc(C(=O)NCC(=O)[O-])cc1	in-vitro biogenic
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/72/173072972	PEIXOOFVMXCCCT-UHFFFAOYSA-N	1	219.288	BC	0.656	1	Anodyne	mid	BCAAMO	C[NH+]1CCN(C(=O)c2ccccc2N)CC1	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/69/173072969	PEIXOOFVMXCCCT-UHFFFAOYSA-N	0	219.288	BC	0.656	0	Anodyne	ref	BCAARN	CN1CCN(C(=O)c2ccccc2N)CC1	 
Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1	ZINC000000051263	81/92/11/383819211	PPDKUGSOVUQARL-UHFFFAOYSA-N	-1	243.284	BC	0.748	0	Anodyne	ref	BCAARM	Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	 
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	 
CN(CC(=O)O)c1ccccc1C(=O)O	ZINC000000054565	67/16/38/342671638	TWUUECRQSVEIFO-UHFFFAOYSA-N	-2	209.201	BC	0.906	0	Anodyne	ref	BCAARL	CN(CC(=O)[O-])c1ccccc1C(=O)[O-]	 
CN(C)S(=O)(=O)N(C)c1ccc(O)cc1	ZINC000000054569	67/14/85/342671485	FTLSNMWDYINSEH-UHFFFAOYSA-N	0	230.289	BC	0.635	0	Anodyne	ref	BCAARN	CN(C)S(=O)(=O)N(C)c1ccc(O)cc1	 
CCS(=O)(=O)c1ccc(O)c(N)c1	ZINC000000056706	67/18/15/342671815	UPJVUFCLBYQKFH-UHFFFAOYSA-N	-1	201.247	BC	0.768	3	Anodyne	high	BCAAHM	CCS(=O)(=O)c1ccc([O-])c(N)c1	 
CCS(=O)(=O)c1ccc(O)c(N)c1	ZINC000000056706	67/18/13/342671813	UPJVUFCLBYQKFH-UHFFFAOYSA-N	0	201.247	BC	0.768	0	Anodyne	ref	BCAARN	CCS(=O)(=O)c1ccc(O)c(N)c1	 
O=C(O)COCC(=O)Nc1cccnc1	ZINC000000070180	82/14/57/383821457	MKQGEKYXPVAARY-UHFFFAOYSA-N	-1	210.189	BC	0.121	0	Anodyne	ref	BCAARM	O=C([O-])COCC(=O)Nc1cccnc1	 
Cc1ccc(S(=O)(=O)NCC(=O)O)cc1	ZINC000000078012	82/34/30/383823430	VDKFCCZUCXYILI-UHFFFAOYSA-N	-1	229.257	BC	0.358	0	Anodyne	ref	BCAARM	Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1	 
Brc1cnc(N2CCNCC2)nc1	ZINC000000083576	97/66/12/532976612	YHWLBBPOKRHVAR-UHFFFAOYSA-N	0	243.108	BC	0.649	3	Anodyne	high	BCAAHN	Brc1cnc(N2CCNCC2)nc1	 
Brc1cnc(N2CCNCC2)nc1	ZINC000000083576	97/65/98/532976598	YHWLBBPOKRHVAR-UHFFFAOYSA-N	1	243.108	BC	0.649	0	Anodyne	ref	BCAARO	Brc1cnc(N2CC[NH2+]CC2)nc1	 
CC(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000000085737	09/87/38/188098738	GYKMWESSHHRRKK-UHFFFAOYSA-N	0	203.205	BC	0.621	0	Anodyne	ref	BCAARN	CC(=O)Nc1ccc(-n2cnnn2)cc1	 
COc1ccc(OC)c(-n2cnnn2)c1	ZINC000000086370	16/37/61/175163761	ZJHCMJBQSMFUOX-UHFFFAOYSA-N	0	206.205	BC	0.679	0	Anodyne	ref	BCAARN	COc1ccc(OC)c(-n2cnnn2)c1	 
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	 
COc1ccccc1NC(=N)NC(=N)N	ZINC000000089337	67/36/63/342673663	QYLVXKQJMSWUHI-UHFFFAOYSA-N	1	207.237	BC	0.525	3	Anodyne	high	BCAAHO	COc1ccccc1NC(=N)NC(N)=[NH2+]	 
COc1ccccc1NC(=N)NC(=N)N	ZINC000000089337	67/36/61/342673661	QYLVXKQJMSWUHI-UHFFFAOYSA-N	2	207.237	BC	0.525	0	Anodyne	ref	BCAARP	COc1ccccc1NC(=[NH2+])NC(N)=[NH2+]	 
Cn1nc(C(=O)O)c2ccccc2c1=O	ZINC000000089545	82/43/65/383824365	ZUEDIBGIVDXMLP-UHFFFAOYSA-N	-1	204.185	BC	0.632	0	Anodyne	ref	BCAARM	Cn1nc(C(=O)[O-])c2ccccc2c1=O	 
O=C(O)CN1CC(=O)Oc2ccccc21	ZINC000000091018	31/25/17/132312517	FYMAUNOZQOLGTF-UHFFFAOYSA-N	-1	207.185	BC	0.497	0	Anodyne	ref	BCAARM	O=C([O-])CN1CC(=O)Oc2ccccc21	 
CC(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000000091773	82/37/28/383823728	FIKYUYWVOVLHRS-UHFFFAOYSA-N	0	239.252	BC	0.42	0	Anodyne	ref	BCAARN	CC(=O)CN1C(=O)c2ccccc2S1(=O)=O	 
Cn1nc(CC(=O)O)c2ccccc2c1=O	ZINC000000092804	80/46/45/180804645	FJIQQZXHNOTAEI-UHFFFAOYSA-N	-1	218.212	BC	0.561	0	Anodyne	ref	BCAARM	Cn1nc(CC(=O)[O-])c2ccccc2c1=O	 
CCOC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000000098387	21/81/72/170218172	NYNCZOLNVTXTTP-UHFFFAOYSA-N	0	233.223	BC	0.846	0	Anodyne	ref	BCAARN	CCOC(=O)CN1C(=O)c2ccccc2C1=O	 
O=C1C=CC(=O)N1c1ccc2c(c1)OCCO2	ZINC000000098847	67/43/28/342674328	LRCFBRUAUCWMAU-UHFFFAOYSA-N	0	231.207	BC	0.887	0	Anodyne	ref	BCAARN	O=C1C=CC(=O)N1c1ccc2c(c1)OCCO2	 
O[C@H]1COCc2nc3ccccc3n2C1	ZINC000000099446	24/63/89/183246389	XRPGEEYBQKPKSC-MRVPVSSYSA-N	0	204.229	BC	0.927	0	Anodyne	ref	BCAARN	O[C@H]1COCc2nc3ccccc3n2C1	 
O[C@@H]1COCc2nc3ccccc3n2C1	ZINC000000099448	21/16/77/183211677	XRPGEEYBQKPKSC-QMMMGPOBSA-N	0	204.229	BC	0.927	0	Anodyne	ref	BCAARN	O[C@@H]1COCc2nc3ccccc3n2C1	 
Nc1nnc(SCC(=O)N2CCCC2)s1	ZINC000000105556	82/82/60/383828260	SYEPKTKKTFKMNZ-UHFFFAOYSA-N	0	244.345	BC	0.835	0	Anodyne	ref	BCAARN	Nc1nnc(SCC(=O)N2CCCC2)s1	 
O=C(O)CCN1C(=O)c2ccncc2C1=O	ZINC000000105591	44/42/01/182444201	RTBDUTALJIAXHT-UHFFFAOYSA-N	-1	220.184	BC	0.152	0	Anodyne	ref	BCAARM	O=C([O-])CCN1C(=O)c2ccncc2C1=O	 
Nc1cccc(OCC(=O)N2CCOCC2)c1	ZINC000000106655	74/75/31/181747531	SQKMJEPQICGMPL-UHFFFAOYSA-N	0	236.271	BC	0.506	0	Anodyne	ref	BCAARN	Nc1cccc(OCC(=O)N2CCOCC2)c1	 
O=C1C=CC(=O)N1c1ccc2c(c1)OCO2	ZINC000000110973	67/51/52/342675152	CGKPENZHIVRDPZ-UHFFFAOYSA-N	0	217.18	BC	0.845	0	Anodyne	ref	BCAARN	O=C1C=CC(=O)N1c1ccc2c(c1)OCO2	 
CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1	ZINC000000112604	67/49/63/342674963	DGVPSAQTQGLBAM-UHFFFAOYSA-N	-1	229.257	BC	0.635	0	Anodyne	ref	BCAARM	CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	 
O=C(O)/C=C/C(=O)NCc1ccccc1	ZINC000000114248	67/51/62/342675162	BHWGQIYJCMMSNM-VOTSOKGWSA-N	-1	205.213	BC	0.944	0	Anodyne	ref	BCAARM	O=C([O-])/C=C/C(=O)NCc1ccccc1	 
N=C(N)NC(=N)N1N=CC[C@@H]1c1ccccc1	ZINC000000118310	18/77/23/181187723	SZZOILYQDCPXTM-SECBINFHSA-N	1	230.275	BC	0.837	1	Anodyne	mid	BCAAMO	N=C(NC(N)=[NH2+])N1N=CC[C@@H]1c1ccccc1	 
N=C(N)NC(=N)N1N=CC[C@@H]1c1ccccc1	ZINC000000118310	18/77/21/181187721	SZZOILYQDCPXTM-SECBINFHSA-N	2	230.275	BC	0.837	0	Anodyne	ref	BCAARP	NC(=[NH2+])NC(=[NH2+])N1N=CC[C@@H]1c1ccccc1	 
O=C1c2ccccc2C(=O)N1C[C@H]1CO1	ZINC000000119624	61/60/43/384616043	DUILGEYLVHGSEE-ZETCQYMHSA-N	0	203.197	BC	0.681	0	Mild	ref	BCEARN	O=C1c2ccccc2C(=O)N1C[C@H]1CO1	in-vitro
O=C1c2ccccc2C(=O)N1C[C@@H]1CO1	ZINC000000119628	84/46/44/182844644	DUILGEYLVHGSEE-SSDOTTSWSA-N	0	203.197	BC	0.681	0	Mild	ref	BCEARN	O=C1c2ccccc2C(=O)N1C[C@@H]1CO1	in-vitro
COC(=O)c1ccc(C(=O)OC)c(N)c1	ZINC000000119878	83/11/33/383831133	DSSKDXUDARIMTR-UHFFFAOYSA-N	0	209.201	BC	0.842	0	Anodyne	ref	BCAARN	COC(=O)c1ccc(C(=O)OC)c(N)c1	 
COC(=O)c1ccccc1N(C)S(C)(=O)=O	ZINC000000122226	83/09/48/383830948	LNOBDDMPOQKMAN-UHFFFAOYSA-N	0	243.284	BC	0.869	0	Anodyne	ref	BCAARN	COC(=O)c1ccccc1N(C)S(C)(=O)=O	 
C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000122247	67/56/92/342675692	OZWUITKBAWTEAQ-LURJTMIESA-N	-1	219.196	BC	0.756	0	Anodyne	ref	BCAARM	C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	in-vitro
C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000122249	58/32/67/176583267	OZWUITKBAWTEAQ-ZCFIWIBFSA-N	-1	219.196	BC	0.756	0	Anodyne	ref	BCAARM	C[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	in-vitro
COC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O	ZINC000000122437	04/70/51/363047051	KRMVXLWZDYZILN-NSHDSACASA-N	0	237.255	BC	0.612	0	Anodyne	ref	BCAARN	COC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O	 
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O	ZINC000000122441	70/30/20/173703020	KRMVXLWZDYZILN-LLVKDONJSA-N	0	237.255	BC	0.612	0	Anodyne	ref	BCAARN	COC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O	 
O=[N+]([O-])C1(CO)COC(c2ccccc2)OC1	ZINC000000122633	55/48/73/344554873	GSYGDSOGHWKWBS-UHFFFAOYSA-N	0	239.227	BC	0.74	0	Bother	ref	BCBARN	O=[N+]([O-])C1(CO)COC(c2ccccc2)OC1	 
CN(C)S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000124766	55/39/12/344553912	NEDZHLALERRIPP-UHFFFAOYSA-N	0	245.26	BC	0.813	0	Bother	ref	BCBARN	CN(C)S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	 
C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O	ZINC000000125025	49/95/64/346499564	CJCSPKMFHVPWAR-SNVBAGLBSA-N	0	211.217	BC	0.442	0	Clean	ref	BCCARN	C[C@@]([NH3+])(Cc1ccc(O)c(O)c1)C(=O)[O-]	investigational
NC(=O)c1nnn(Cc2ccccc2)c1N	ZINC000000126621	31/37/39/181313739	SPSJTSUTONSWEX-UHFFFAOYSA-N	0	217.232	BC	0.007	0	Anodyne	ref	BCAARN	NC(=O)c1nnn(Cc2ccccc2)c1N	 
Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000000134154	67/62/78/342676278	QMKJOZVQZBJSEC-UHFFFAOYSA-N	0	217.228	BC	0.167	0	Anodyne	ref	BCAARN	Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1	in-vitro
Nc1ccccc1C(=O)N1CCOCC1	ZINC000000134248	75/25/65/181752565	LFLIOZKEABTZIF-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccccc1C(=O)N1CCOCC1	 
Cc1cc(C)n(CC(=O)O)c(=O)c1[N+](=O)[O-]	ZINC000000140126	56/40/00/344564000	DHPOXPMQHNJROT-UHFFFAOYSA-N	-1	226.188	BC	0.458	0	Bother	ref	BCBARM	Cc1cc(C)n(CC(=O)[O-])c(=O)c1[N+](=O)[O-]	 
O=C(O)Cn1cnc2ccccc2c1=O	ZINC000000141049	83/27/56/383832756	BBBICQPTZBHLBM-UHFFFAOYSA-N	-1	204.185	BC	0.481	0	Anodyne	ref	BCAARM	O=C([O-])Cn1cnc2ccccc2c1=O	 
CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O	ZINC000000154533	09/86/74/188098674	LKXNJLVPYPXTDY-JTQLQIEISA-N	-1	225.219	BC	0.957	0	Anodyne	ref	BCAARM	CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)[O-]	 
CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)O	ZINC000000154535	83/57/03/383835703	LKXNJLVPYPXTDY-SNVBAGLBSA-N	-1	225.219	BC	0.957	0	Anodyne	ref	BCAARM	CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)[O-]	 
Cc1c(CCO)c(=O)nc2n1CCS2	ZINC000000155662	67/75/92/342677592	LMLYCIGWWHJIBW-UHFFFAOYSA-N	0	212.274	BC	0.192	0	Anodyne	ref	BCAARN	Cc1c(CCO)c(=O)nc2n1CCS2	 
CC(=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000000156781	31/29/13/132312913	AFVUJJNEILZYJQ-UHFFFAOYSA-N	0	219.288	BC	0.937	0	Clean	ref	BCCARN	CC(=O)N1CCN(c2ccc(N)cc2)CC1	 
CN1CCN(c2ccc(CN)cc2)CC1	ZINC000000158909	31/29/31/132312931	MZFQGKRIWIKPBT-UHFFFAOYSA-N	1	205.305	BC	0.897	1	Clean	mid	BCCAMO	CN1CCN(c2ccc(C[NH3+])cc2)CC1	 
CN1CCN(c2ccc(CN)cc2)CC1	ZINC000000158909	31/29/30/132312930	MZFQGKRIWIKPBT-UHFFFAOYSA-N	2	205.305	BC	0.897	0	Clean	ref	BCCARP	C[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	 
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1	ZINC000000168417	82/60/00/178826000	LQXKHFZRJYXXFA-QMMMGPOBSA-N	-1	243.284	BC	0.746	0	Anodyne	ref	BCAARM	Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1	in-vitro
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1	ZINC000000168419	83/80/06/383838006	LQXKHFZRJYXXFA-MRVPVSSYSA-N	-1	243.284	BC	0.746	0	Anodyne	ref	BCAARM	Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1	 
CN(C)c1ccc2c(=O)[nH]nc(O)c2c1	ZINC000000168837	67/89/16/342678916	YUHXSGIOAZZWRU-UHFFFAOYSA-N	-1	205.217	BC	0.695	3	Anodyne	high	BCAAHM	CN(C)c1ccc2c(=O)[nH][n-]c(=O)c2c1	 
CN(C)c1ccc2c(=O)[nH]nc(O)c2c1	ZINC000000168837	67/89/15/342678915	YUHXSGIOAZZWRU-UHFFFAOYSA-N	0	205.217	BC	0.695	0	Anodyne	ref	BCAARN	CN(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1	 
CCOC(=O)NC(=S)N1CCOCC1	ZINC000000172717	24/08/24/170240824	GJSLGIVNGKJHRG-UHFFFAOYSA-N	-1	218.278	BC	0.35	3	Anodyne	high	BCAAHM	CCOC(=O)[N-]C(=S)N1CCOCC1	 
CCOC(=O)NC(=S)N1CCOCC1	ZINC000000172717	24/08/23/170240823	GJSLGIVNGKJHRG-UHFFFAOYSA-N	-1	218.278	BC	0.35	3	Anodyne	high	BCAAHM	CCOC([O-])=NC(=S)N1CCOCC1	 
CCOC(=O)NC(=S)N1CCOCC1	ZINC000000172717	24/08/21/170240821	GJSLGIVNGKJHRG-UHFFFAOYSA-N	0	218.278	BC	0.35	0	Anodyne	ref	BCAARN	CCOC(=O)NC(=S)N1CCOCC1	 
Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000000186858	79/42/86/181794286	YIJDTMJFCSHGHV-UHFFFAOYSA-N	0	246.314	BC	0.951	3	Anodyne	high	BCAAHN	Nc1nc2ccccc2n1CCN1CCOCC1	 
Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000000186858	79/42/84/181794284	YIJDTMJFCSHGHV-UHFFFAOYSA-N	2	246.314	BC	0.951	2	Anodyne	low	BCAALP	Nc1[nH+]c2ccccc2n1CC[NH+]1CCOCC1	 
Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000000186858	79/42/82/181794282	YIJDTMJFCSHGHV-UHFFFAOYSA-N	1	246.314	BC	0.951	0	Anodyne	ref	BCAARO	Nc1[nH+]c2ccccc2n1CCN1CCOCC1	 
COc1ccc(S(=O)(=O)CCO)cc1N	ZINC000000199063	17/37/94/175173794	DERMVGUSAPXPSM-UHFFFAOYSA-N	0	231.273	BC	0.043	0	Anodyne	ref	BCAARN	COc1ccc(S(=O)(=O)CCO)cc1N	 
O=C(O)[C@H]1CC(=O)N(c2ccccc2O)C1	ZINC000000213658	61/86/14/359618614	FPQOSKXLHCTVED-ZETCQYMHSA-N	-2	221.212	BC	0.83	3	Anodyne	high	BCAAHL	O=C([O-])[C@H]1CC(=O)N(c2ccccc2[O-])C1	in-vivo
O=C(O)[C@H]1CC(=O)N(c2ccccc2O)C1	ZINC000000213658	61/86/01/359618601	FPQOSKXLHCTVED-ZETCQYMHSA-N	-1	221.212	BC	0.83	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1	in-vivo
O=C(O)[C@@H]1CC(=O)N(c2ccccc2O)C1	ZINC000000213662	68/02/34/342680234	FPQOSKXLHCTVED-SSDOTTSWSA-N	-2	221.212	BC	0.83	3	Anodyne	high	BCAAHL	O=C([O-])[C@@H]1CC(=O)N(c2ccccc2[O-])C1	 
O=C(O)[C@@H]1CC(=O)N(c2ccccc2O)C1	ZINC000000213662	68/02/33/342680233	FPQOSKXLHCTVED-SSDOTTSWSA-N	-1	221.212	BC	0.83	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CC(=O)N(c2ccccc2O)C1	 
COC(=O)c1n[nH]c(=O)c2ccccc12	ZINC000000214926	91/43/17/173914317	MKUYKCWVZJBMOA-UHFFFAOYSA-N	0	204.185	BC	0.71	0	Anodyne	ref	BCAARN	COC(=O)c1n[nH]c(=O)c2ccccc12	 
O=C(O)CCNS(=O)(=O)c1ccc(F)cc1	ZINC000000216076	84/48/97/383844897	UDQZLIWXZJFLPD-UHFFFAOYSA-N	-1	247.247	BC	0.579	0	Anodyne	ref	BCAARM	O=C([O-])CCNS(=O)(=O)c1ccc(F)cc1	 
O=C(O)CCn1nnc2ccccc2c1=O	ZINC000000225283	84/57/98/383845798	AHKDQGZBLDBPNI-UHFFFAOYSA-N	-1	219.2	BC	0.266	0	Anodyne	ref	BCAARM	O=C([O-])CCn1nnc2ccccc2c1=O	 
O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O	ZINC000000236276	97/46/73/182974673	RYMLSFWVYNAKAR-UHFFFAOYSA-N	0	207.145	BC	0.125	0	Bother	ref	BCBARN	O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O	in-vivo
COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000000240361	84/41/50/383844150	LCBYORGCTDBDCH-UHFFFAOYSA-N	0	243.284	BC	0.723	0	Anodyne	ref	BCAARN	COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	 
COC(=O)c1ccc(C(=O)N2CCOCC2)cc1	ZINC000000241716	86/92/41/173869241	RBQSIESGVUEHQR-UHFFFAOYSA-N	0	249.266	BC	0.946	0	Anodyne	ref	BCAARN	COC(=O)c1ccc(C(=O)N2CCOCC2)cc1	 
CCOC(=O)Cn1nc([N+](=O)[O-])cc1C	ZINC000000255455	23/76/72/170237672	GOSYRANHPYLOJW-UHFFFAOYSA-N	0	213.193	BC	0.663	0	Bother	ref	BCBARN	CCOC(=O)Cn1nc([N+](=O)[O-])cc1C	 
O=C(c1ccccc1F)N1CCNCC1	ZINC000000255515	68/14/96/342681496	YUOYYPWFXYRVHK-UHFFFAOYSA-N	0	208.236	BC	0.871	1	Anodyne	mid	BCAAMN	O=C(c1ccccc1F)N1CCNCC1	 
O=C(c1ccccc1F)N1CCNCC1	ZINC000000255515	68/14/94/342681494	YUOYYPWFXYRVHK-UHFFFAOYSA-N	1	208.236	BC	0.871	0	Anodyne	ref	BCAARO	O=C(c1ccccc1F)N1CC[NH2+]CC1	 
COC(=O)c1nnn(-c2ccccc2)c1N	ZINC000000256574	68/12/98/342681298	XELSIYWNEIGXMY-UHFFFAOYSA-N	0	218.216	BC	0.636	0	Anodyne	ref	BCAARN	COC(=O)c1nnn(-c2ccccc2)c1N	 
O=C(O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000000259814	84/86/09/383848609	LCGVBLNLPUJFQB-UHFFFAOYSA-N	-1	230.223	BC	0.995	0	Anodyne	ref	BCAARM	O=C([O-])Cn1nc(-c2ccccc2)ccc1=O	 
CCS(=O)(=O)N1CCC(C(=O)O)CC1	ZINC000000259871	68/16/99/342681699	FXILSJTWIHHRJV-UHFFFAOYSA-N	-1	221.278	BC	0.133	0	Anodyne	ref	BCAARM	CCS(=O)(=O)N1CCC(C(=O)[O-])CC1	 
Cc1c(Br)c(=O)n(C)c(=O)n1C	ZINC000000260429	27/24/93/188272493	RJNYZLOAGXCCHJ-UHFFFAOYSA-N	0	233.065	BC	0.155	0	Anodyne	ref	BCAARN	Cc1c(Br)c(=O)n(C)c(=O)n1C	 
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-]	 
NC(=O)C1(N2CCCCC2)CCNCC1	ZINC000000266396	21/40/26/181214026	AUXZEVXPRCVGAO-UHFFFAOYSA-N	2	211.309	BC	0.08	1	Anodyne	mid	BCAAMP	NC(=O)C1([NH+]2CCCCC2)CC[NH2+]CC1	in-vitro
NC(=O)C1(N2CCCCC2)CCNCC1	ZINC000000266396	21/40/24/181214024	AUXZEVXPRCVGAO-UHFFFAOYSA-N	1	211.309	BC	0.08	0	Anodyne	ref	BCAARO	NC(=O)C1(N2CCCCC2)CC[NH2+]CC1	in-vitro
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