N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035764	01/70/00/344017000	OCYJXSUPZMNXEN-BDAKNGLRSA-N	0	212.205	BB	-0.052	3	Bother	high	BBBAHN	N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	 
N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035764	01/69/98/344016998	OCYJXSUPZMNXEN-BDAKNGLRSA-N	1	212.205	BB	-0.052	0	Bother	ref	BBBARO	[NH3+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	 
N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035765	13/42/55/386134255	OCYJXSUPZMNXEN-RKDXNWHRSA-N	0	212.205	BB	-0.052	3	Bother	high	BBBAHN	N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	in-vitro
N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035765	13/42/42/386134242	OCYJXSUPZMNXEN-RKDXNWHRSA-N	1	212.205	BB	-0.052	0	Bother	ref	BBBARO	[NH3+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	in-vitro
N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035766	01/62/10/344016210	OCYJXSUPZMNXEN-IUCAKERBSA-N	0	212.205	BB	-0.052	3	Bother	high	BBBAHN	N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	in-vitro
N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035766	01/62/00/344016200	OCYJXSUPZMNXEN-IUCAKERBSA-N	1	212.205	BB	-0.052	0	Bother	ref	BBBARO	[NH3+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	in-vitro
N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035767	01/62/30/344016230	OCYJXSUPZMNXEN-DTWKUNHWSA-N	0	212.205	BB	-0.052	3	Bother	high	BBBAHN	N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	 
N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000035767	01/62/27/344016227	OCYJXSUPZMNXEN-DTWKUNHWSA-N	1	212.205	BB	-0.052	0	Bother	ref	BBBARO	[NH3+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	 
CN1CCN(C(=O)CCC(=O)O)CC1	ZINC000000174891	06/58/10/173065810	NZTQZEIZMMJXFG-UHFFFAOYSA-N	0	200.238	BB	-0.375	1	Anodyne	mid	BBAAMN	C[NH+]1CCN(C(=O)CCC(=O)[O-])CC1	 
CN1CCN(C(=O)CCC(=O)O)CC1	ZINC000000174891	06/58/07/173065807	NZTQZEIZMMJXFG-UHFFFAOYSA-N	-1	200.238	BB	-0.375	0	Anodyne	ref	BBAARM	CN1CCN(C(=O)CCC(=O)[O-])CC1	 
CCOC(=O)C(NC(C)=O)C(=O)OCC	ZINC000001683676	18/87/66/170188766	ISOLMABRZPQKOV-UHFFFAOYSA-N	0	217.221	BB	-0.383	0	Anodyne	ref	BBAARN	CCOC(=O)C(NC(C)=O)C(=O)OCC	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926621	94/06/67/383940667	BJWIGOXECUMUEU-SNVBAGLBSA-N	0	249.27	BB	-0.143	2	Anodyne	low	BBAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccnc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926621	94/06/61/383940661	BJWIGOXECUMUEU-SNVBAGLBSA-N	0	249.27	BB	-0.143	2	Anodyne	low	BBAALN	O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1Cc1cccnc1	 
O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926621	94/06/58/383940658	BJWIGOXECUMUEU-SNVBAGLBSA-N	-1	249.27	BB	-0.143	0	Anodyne	ref	BBAARM	O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccnc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926623	94/12/10/383941210	BJWIGOXECUMUEU-JTQLQIEISA-N	0	249.27	BB	-0.143	2	Anodyne	low	BBAALN	O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1Cc1cccnc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926623	94/12/07/383941207	BJWIGOXECUMUEU-JTQLQIEISA-N	0	249.27	BB	-0.143	2	Anodyne	low	BBAALN	O=C([O-])C[C@H]1C(=O)NCC[N@H+]1Cc1cccnc1	 
O=C(O)C[C@H]1C(=O)NCCN1Cc1cccnc1	ZINC000001926623	94/12/02/383941202	BJWIGOXECUMUEU-JTQLQIEISA-N	-1	249.27	BB	-0.143	0	Anodyne	ref	BBAARM	O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccnc1	 
CC(C)N1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926642	94/02/51/383940251	NJZMHNHROHOKDK-SSDOTTSWSA-N	-1	200.238	BB	-0.33	1	Anodyne	mid	BBAAMM	CC(C)N1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)N1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926642	94/02/46/383940246	NJZMHNHROHOKDK-SSDOTTSWSA-N	0	200.238	BB	-0.33	1	Anodyne	mid	BBAAMN	CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)N1CCNC(=O)[C@H]1CC(=O)O	ZINC000001926642	94/02/23/383940223	NJZMHNHROHOKDK-SSDOTTSWSA-N	0	200.238	BB	-0.33	0	Anodyne	ref	BBAARN	CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-]	 
CC(C)N1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926644	94/08/75/383940875	NJZMHNHROHOKDK-ZETCQYMHSA-N	-1	200.238	BB	-0.33	1	Anodyne	mid	BBAAMM	CC(C)N1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)N1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926644	94/08/70/383940870	NJZMHNHROHOKDK-ZETCQYMHSA-N	0	200.238	BB	-0.33	1	Anodyne	mid	BBAAMN	CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)N1CCNC(=O)[C@@H]1CC(=O)O	ZINC000001926644	94/08/63/383940863	NJZMHNHROHOKDK-ZETCQYMHSA-N	0	200.238	BB	-0.33	0	Anodyne	ref	BBAARN	CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-]	 
CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O	ZINC000002017228	09/70/37/188097037	SBBDHANTMHIRGW-QMMMGPOBSA-N	-1	233.264	BB	-0.653	0	Anodyne	ref	BBAARM	CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-]	in-man
Nc1ccccc1C(=O)N1CCNC(=O)C1	ZINC000002701921	72/65/64/342726564	OHLNGCFPKOPOOS-UHFFFAOYSA-N	0	219.244	BB	-0.159	0	Anodyne	ref	BBAARN	Nc1ccccc1C(=O)N1CCNC(=O)C1	 
NC(N)=NS(=O)(=O)c1ccc(N)cc1	ZINC000003873927	32/31/19/181323119	BRBKOPJOKNSWSG-UHFFFAOYSA-N	1	214.25	BB	-0.769	2	Mild	low	BBEALO	NC(=[NH2+])NS(=O)(=O)c1ccc(N)cc1	world
NC(N)=NS(=O)(=O)c1ccc(N)cc1	ZINC000003873927	32/31/16/181323116	BRBKOPJOKNSWSG-UHFFFAOYSA-N	0	214.25	BB	-0.769	0	Mild	ref	BBEARN	NC(N)=NS(=O)(=O)c1ccc(N)cc1	world
CC[C@H](CO)NCCN[C@H](CC)CO	ZINC000019364221	51/60/08/384516008	AEUTYOVWOVBAKS-NXEZZACHSA-N	2	204.314	BB	-0.293	2	Anodyne	low	BBAALP	CC[C@H](CO)[NH2+]CC[NH2+][C@H](CC)CO	investigational
CC[C@H](CO)NCCN[C@H](CC)CO	ZINC000019364221	51/59/97/384515997	AEUTYOVWOVBAKS-NXEZZACHSA-N	1	204.314	BB	-0.293	0	Anodyne	ref	BBAARO	CC[C@H](CO)NCC[NH2+][C@H](CC)CO	investigational
CCCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035485735	85/99/70/383859970	PMBWQDCICUWYHX-MRVPVSSYSA-N	1	214.265	BB	-0.192	2	Anodyne	low	BBAALO	CCCCOC(=O)C[C@H]1[NH2+]CCNC1=O	 
CCCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035485735	85/99/65/383859965	PMBWQDCICUWYHX-MRVPVSSYSA-N	0	214.265	BB	-0.192	0	Anodyne	ref	BBAARN	CCCCOC(=O)C[C@H]1NCCNC1=O	 
CCCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035485737	85/80/28/383858028	PMBWQDCICUWYHX-QMMMGPOBSA-N	1	214.265	BB	-0.192	2	Anodyne	low	BBAALO	CCCCOC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CCCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035485737	85/80/16/383858016	PMBWQDCICUWYHX-QMMMGPOBSA-N	0	214.265	BB	-0.192	0	Anodyne	ref	BBAARN	CCCCOC(=O)C[C@@H]1NCCNC1=O	 
CCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035679619	29/91/42/169299142	RTNSEXYFBJTZRF-SSDOTTSWSA-N	1	200.238	BB	-0.582	2	Anodyne	low	BBAALO	CCCOC(=O)C[C@H]1[NH2+]CCNC1=O	 
CCCOC(=O)C[C@H]1NCCNC1=O	ZINC000035679619	29/91/41/169299141	RTNSEXYFBJTZRF-SSDOTTSWSA-N	0	200.238	BB	-0.582	0	Anodyne	ref	BBAARN	CCCOC(=O)C[C@H]1NCCNC1=O	 
CCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035679621	29/90/92/169299092	RTNSEXYFBJTZRF-ZETCQYMHSA-N	1	200.238	BB	-0.582	2	Anodyne	low	BBAALO	CCCOC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CCCOC(=O)C[C@@H]1NCCNC1=O	ZINC000035679621	29/90/91/169299091	RTNSEXYFBJTZRF-ZETCQYMHSA-N	0	200.238	BB	-0.582	0	Anodyne	ref	BBAARN	CCCOC(=O)C[C@@H]1NCCNC1=O	 
CC(C)COC(=O)C[C@H]1NCCNC1=O	ZINC000035817573	02/02/04/167020204	BROIIRIOIQDJFJ-MRVPVSSYSA-N	1	214.265	BB	-0.336	2	Anodyne	low	BBAALO	CC(C)COC(=O)C[C@H]1[NH2+]CCNC1=O	 
CC(C)COC(=O)C[C@H]1NCCNC1=O	ZINC000035817573	02/02/01/167020201	BROIIRIOIQDJFJ-MRVPVSSYSA-N	0	214.265	BB	-0.336	0	Anodyne	ref	BBAARN	CC(C)COC(=O)C[C@H]1NCCNC1=O	 
CC(C)COC(=O)C[C@@H]1NCCNC1=O	ZINC000035817577	02/09/21/167020921	BROIIRIOIQDJFJ-QMMMGPOBSA-N	1	214.265	BB	-0.336	2	Anodyne	low	BBAALO	CC(C)COC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CC(C)COC(=O)C[C@@H]1NCCNC1=O	ZINC000035817577	02/09/20/167020920	BROIIRIOIQDJFJ-QMMMGPOBSA-N	0	214.265	BB	-0.336	0	Anodyne	ref	BBAARN	CC(C)COC(=O)C[C@@H]1NCCNC1=O	 
CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035826281	76/09/69/170760969	YMTCHBJQWTUIGW-HTQZYQBOSA-N	1	214.265	BB	-0.194	2	Anodyne	low	BBAALO	CC[C@@H](C)OC(=O)C[C@H]1[NH2+]CCNC1=O	 
CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035826281	76/09/66/170760966	YMTCHBJQWTUIGW-HTQZYQBOSA-N	0	214.265	BB	-0.194	0	Anodyne	ref	BBAARN	CC[C@@H](C)OC(=O)C[C@H]1NCCNC1=O	 
CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035826283	35/14/82/171351482	YMTCHBJQWTUIGW-JGVFFNPUSA-N	1	214.265	BB	-0.194	2	Anodyne	low	BBAALO	CC[C@H](C)OC(=O)C[C@H]1[NH2+]CCNC1=O	 
CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035826283	35/14/80/171351480	YMTCHBJQWTUIGW-JGVFFNPUSA-N	0	214.265	BB	-0.194	0	Anodyne	ref	BBAARN	CC[C@H](C)OC(=O)C[C@H]1NCCNC1=O	 
CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035826284	30/49/16/343304916	YMTCHBJQWTUIGW-SFYZADRCSA-N	1	214.265	BB	-0.194	2	Anodyne	low	BBAALO	CC[C@@H](C)OC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035826284	30/49/13/343304913	YMTCHBJQWTUIGW-SFYZADRCSA-N	0	214.265	BB	-0.194	0	Anodyne	ref	BBAARN	CC[C@@H](C)OC(=O)C[C@@H]1NCCNC1=O	 
CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035826285	35/11/39/171351139	YMTCHBJQWTUIGW-YUMQZZPRSA-N	1	214.265	BB	-0.194	2	Anodyne	low	BBAALO	CC[C@H](C)OC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035826285	35/11/36/171351136	YMTCHBJQWTUIGW-YUMQZZPRSA-N	0	214.265	BB	-0.194	0	Anodyne	ref	BBAARN	CC[C@H](C)OC(=O)C[C@@H]1NCCNC1=O	 
CC(C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035999494	16/19/63/167161963	DBZNRWHYSVZXHR-SSDOTTSWSA-N	1	200.238	BB	-0.584	2	Anodyne	low	BBAALO	CC(C)OC(=O)C[C@H]1[NH2+]CCNC1=O	 
CC(C)OC(=O)C[C@H]1NCCNC1=O	ZINC000035999494	16/19/57/167161957	DBZNRWHYSVZXHR-SSDOTTSWSA-N	0	200.238	BB	-0.584	0	Anodyne	ref	BBAARN	CC(C)OC(=O)C[C@H]1NCCNC1=O	 
CC(C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035999495	16/22/12/167162212	DBZNRWHYSVZXHR-ZETCQYMHSA-N	1	200.238	BB	-0.584	2	Anodyne	low	BBAALO	CC(C)OC(=O)C[C@@H]1[NH2+]CCNC1=O	 
CC(C)OC(=O)C[C@@H]1NCCNC1=O	ZINC000035999495	16/22/10/167162210	DBZNRWHYSVZXHR-ZETCQYMHSA-N	0	200.238	BB	-0.584	0	Anodyne	ref	BBAARN	CC(C)OC(=O)C[C@@H]1NCCNC1=O	 
O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1	ZINC000036091336	03/21/47/182032147	AFRAXTHYXDRJLK-RKDXNWHRSA-N	1	242.275	BB	-0.813	2	Anodyne	low	BBAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OC[C@H]1CCCO1	 
O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1	ZINC000036091336	03/21/46/182032146	AFRAXTHYXDRJLK-RKDXNWHRSA-N	0	242.275	BB	-0.813	0	Anodyne	ref	BBAARN	O=C(C[C@H]1NCCNC1=O)OC[C@H]1CCCO1	 
O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1	ZINC000036091337	03/16/70/182031670	AFRAXTHYXDRJLK-DTWKUNHWSA-N	1	242.275	BB	-0.813	2	Anodyne	low	BBAALO	O=C(C[C@H]1[NH2+]CCNC1=O)OC[C@@H]1CCCO1	 
O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1	ZINC000036091337	03/16/69/182031669	AFRAXTHYXDRJLK-DTWKUNHWSA-N	0	242.275	BB	-0.813	0	Anodyne	ref	BBAARN	O=C(C[C@H]1NCCNC1=O)OC[C@@H]1CCCO1	 
O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1	ZINC000036091339	02/42/17/182024217	AFRAXTHYXDRJLK-BDAKNGLRSA-N	1	242.275	BB	-0.813	2	Anodyne	low	BBAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OC[C@H]1CCCO1	 
O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1	ZINC000036091339	02/42/16/182024216	AFRAXTHYXDRJLK-BDAKNGLRSA-N	0	242.275	BB	-0.813	0	Anodyne	ref	BBAARN	O=C(C[C@@H]1NCCNC1=O)OC[C@H]1CCCO1	 
O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1	ZINC000036091340	02/36/41/182023641	AFRAXTHYXDRJLK-IUCAKERBSA-N	1	242.275	BB	-0.813	2	Anodyne	low	BBAALO	O=C(C[C@@H]1[NH2+]CCNC1=O)OC[C@@H]1CCCO1	 
O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1	ZINC000036091340	02/36/37/182023637	AFRAXTHYXDRJLK-IUCAKERBSA-N	0	242.275	BB	-0.813	0	Anodyne	ref	BBAARN	O=C(C[C@@H]1NCCNC1=O)OC[C@@H]1CCCO1	 
CCOC(=O)C[C@@H]1C(=O)NCCN1CCC#N	ZINC000085207966	23/22/13/170232213	VDIXRRPPNNTXTR-SECBINFHSA-N	0	239.275	BB	-0.346	0	Mild	ref	BBEARN	CCOC(=O)C[C@@H]1C(=O)NCCN1CCC#N	 
CCOC(=O)C[C@H]1C(=O)NCCN1CCC#N	ZINC000085207967	23/38/73/170233873	VDIXRRPPNNTXTR-VIFPVBQESA-N	0	239.275	BB	-0.346	0	Mild	ref	BBEARN	CCOC(=O)C[C@H]1C(=O)NCCN1CCC#N	 
O=[n+]1c(CO)c(CO)n(O)c2ccccc21	ZINC000100011473	60/92/22/384609222	JCTXJZLWBPCLGN-UHFFFAOYSA-N	1	223.208	BB	-0.222	0	Anodyne	ref	BBAARO	O=[n+]1c(CO)c(CO)n(O)c2ccccc21	in-vitro