CC(=O)Nc1ccc(S(=O)(=O)NN)cc1	ZINC000000032152	24/43/86/187244386	PBCWYAIMPZBEGL-UHFFFAOYSA-N	0	229.261	BB	-0.203	0	Anodyne	ref	BBAARN	CC(=O)Nc1ccc(S(=O)(=O)NN)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
CN(N)C1=NS(=O)(=O)c2ccccc21	ZINC000000039695	67/09/21/342670921	RQGWZBBWDZAJAK-UHFFFAOYSA-N	0	211.246	BB	-0.059	0	Anodyne	ref	BBAARN	CN(N)C1=NS(=O)(=O)c2ccccc21	 
NN(CCO)C1=NS(=O)(=O)c2ccccc21	ZINC000000052232	67/15/46/342671546	PJQIEGCCVWOYIG-UHFFFAOYSA-N	0	241.272	BB	-0.696	0	Anodyne	ref	BBAARN	NN(CCO)C1=NS(=O)(=O)c2ccccc21	 
O=[N+]([O-])c1ccc([C@H](O)[C@H](O)CO)cc1	ZINC000000056784	44/64/67/384446467	IUZVZBIQZKBWCC-BDAKNGLRSA-N	0	213.189	BB	-0.019	0	Bother	ref	BBBARN	O=[N+]([O-])c1ccc([C@H](O)[C@H](O)CO)cc1	in-vitro
O=[N+]([O-])c1ccc([C@@H](O)[C@H](O)CO)cc1	ZINC000000056785	24/39/64/187243964	IUZVZBIQZKBWCC-RKDXNWHRSA-N	0	213.189	BB	-0.019	0	Bother	ref	BBBARN	O=[N+]([O-])c1ccc([C@@H](O)[C@H](O)CO)cc1	in-vitro
O=[N+]([O-])c1ccc([C@H](O)[C@@H](O)CO)cc1	ZINC000000056786	24/39/83/187243983	IUZVZBIQZKBWCC-IUCAKERBSA-N	0	213.189	BB	-0.019	0	Bother	ref	BBBARN	O=[N+]([O-])c1ccc([C@H](O)[C@@H](O)CO)cc1	in-vitro
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](O)CO)cc1	ZINC000000056787	27/27/85/188272785	IUZVZBIQZKBWCC-DTWKUNHWSA-N	0	213.189	BB	-0.019	0	Bother	ref	BBBARN	O=[N+]([O-])c1ccc([C@@H](O)[C@@H](O)CO)cc1	in-vitro
NC(CO)(CO)COCc1ccccc1	ZINC000000122448	32/30/23/181323023	DTNHKTAMUGDRNG-UHFFFAOYSA-N	0	211.261	BB	-0.115	3	Anodyne	high	BBAAHN	NC(CO)(CO)COCc1ccccc1	 
NC(CO)(CO)COCc1ccccc1	ZINC000000122448	32/30/22/181323022	DTNHKTAMUGDRNG-UHFFFAOYSA-N	1	211.261	BB	-0.115	0	Anodyne	ref	BBAARO	[NH3+]C(CO)(CO)COCc1ccccc1	 
CCOC(=O)c1nnc2ccnn2c1N	ZINC000000250358	30/99/92/170309992	QJDZRXLGQGLJIY-UHFFFAOYSA-N	0	207.193	BB	-0.117	0	Anodyne	ref	BBAARN	CCOC(=O)c1nnc2ccnn2c1N	 
CCOC(=O)[C@H]1OCO[C@@H]1C(=O)OCC	ZINC000000254898	28/27/03/170282703	IAIKNIATGSJSLF-BQBZGAKWSA-N	0	218.205	BB	-0.146	0	Anodyne	ref	BBAARN	CCOC(=O)[C@H]1OCO[C@@H]1C(=O)OCC	 
COc1ccc(S(=O)(=O)NN)cc1	ZINC000000256150	17/46/22/175174622	UIWFWZLAICURGT-UHFFFAOYSA-N	0	202.235	BB	-0.153	0	Anodyne	ref	BBAARN	COc1ccc(S(=O)(=O)NN)cc1	 
CS(=O)(=O)N1CCC(C(=O)O)CC1	ZINC000000259768	84/91/31/383849131	SUGDSKDKCOFIQN-UHFFFAOYSA-N	-1	207.251	BB	-0.257	0	Anodyne	ref	BBAARM	CS(=O)(=O)N1CCC(C(=O)[O-])CC1	 
O=C(O)CN1C(=O)c2ccncc2C1=O	ZINC000000264926	84/71/29/383847129	DPYUWQXDKQQQRE-UHFFFAOYSA-N	-1	206.157	BB	-0.238	0	Anodyne	ref	BBAARM	O=C([O-])CN1C(=O)c2ccncc2C1=O	 
O=C(O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000000333914	85/65/05/383856505	MQAZHTHFEBUHCD-UHFFFAOYSA-N	-1	241.224	BB	-0.084	0	Anodyne	ref	BBAARM	O=C([O-])CN1C(=O)c2ccccc2S1(=O)=O	in-vitro
Nc1cc(=O)[nH]c(=O)n1Cc1ccco1	ZINC000000359477	67/63/90/181676390	GHRQDNKXGRCCNU-UHFFFAOYSA-N	0	207.189	BB	-0.24	0	Anodyne	ref	BBAARN	Nc1cc(=O)[nH]c(=O)n1Cc1ccco1	 
O=C(O)Cn1nnc2ccccc2c1=O	ZINC000000425461	86/62/61/383866261	SPFIHLPNCSLCNZ-UHFFFAOYSA-N	-1	205.173	BB	-0.124	0	Anodyne	ref	BBAARM	O=C([O-])Cn1nnc2ccccc2c1=O	 
O=C(OC[C@H](O)CO)c1ccccc1O	ZINC000000517692	60/30/65/182603065	OGFSIPREEZAEMY-SSDOTTSWSA-N	0	212.201	BB	-0.098	0	Anodyne	ref	BBAARN	O=C(OC[C@H](O)CO)c1ccccc1O	 
O=C(OC[C@@H](O)CO)c1ccccc1O	ZINC000000517693	68/92/23/342689223	OGFSIPREEZAEMY-ZETCQYMHSA-N	0	212.201	BB	-0.098	0	Anodyne	ref	BBAARN	O=C(OC[C@@H](O)CO)c1ccccc1O	 
O=C(O)Cn1nnc(-c2cccnc2)n1	ZINC000000874795	88/37/37/383883737	INISLTLPKSFWHA-UHFFFAOYSA-N	-1	205.177	BB	-0.18	0	Anodyne	ref	BBAARM	O=C([O-])Cn1nnc(-c2cccnc2)n1	 
CN(C)CCN1C[C@@H](C(=O)O)CC1=O	ZINC000000908418	88/24/11/383882411	YLZBIUIUXVYRRQ-ZETCQYMHSA-N	-1	200.238	BB	-0.519	3	Anodyne	high	BBAAHM	CN(C)CCN1C[C@@H](C(=O)[O-])CC1=O	 
CN(C)CCN1C[C@@H](C(=O)O)CC1=O	ZINC000000908418	88/23/97/383882397	YLZBIUIUXVYRRQ-ZETCQYMHSA-N	0	200.238	BB	-0.519	0	Anodyne	ref	BBAARN	C[NH+](C)CCN1C[C@@H](C(=O)[O-])CC1=O	 
CN(C)CCN1C[C@H](C(=O)O)CC1=O	ZINC000000908419	88/30/51/383883051	YLZBIUIUXVYRRQ-SSDOTTSWSA-N	-1	200.238	BB	-0.519	3	Anodyne	high	BBAAHM	CN(C)CCN1C[C@H](C(=O)[O-])CC1=O	 
CN(C)CCN1C[C@H](C(=O)O)CC1=O	ZINC000000908419	88/30/44/383883044	YLZBIUIUXVYRRQ-SSDOTTSWSA-N	0	200.238	BB	-0.519	0	Anodyne	ref	BBAARN	C[NH+](C)CCN1C[C@H](C(=O)[O-])CC1=O	 
Nc1[nH]c(=O)[nH]c(=O)c1Br	ZINC000000967243	69/50/85/342695085	FSLBEEVCUZFKRL-UHFFFAOYSA-N	-1	205.999	BB	-0.592	1	Anodyne	mid	BBAAMM	Nc1[nH]c(=O)[n-]c(=O)c1Br	in-vivo
Nc1[nH]c(=O)[nH]c(=O)c1Br	ZINC000000967243	69/50/84/342695084	FSLBEEVCUZFKRL-UHFFFAOYSA-N	0	205.999	BB	-0.592	0	Anodyne	ref	BBAARN	Nc1[nH]c(=O)[nH]c(=O)c1Br	in-vivo
Nc1nc(=O)[nH]cc1I	ZINC000000967457	69/48/79/342694879	UFVWJVAMULFOMC-UHFFFAOYSA-N	-1	237.0	BB	-0.043	3	Anodyne	high	BBAAHM	Nc1nc(=O)[n-]cc1I	 
Nc1nc(=O)[nH]cc1I	ZINC000000967457	69/48/76/342694876	UFVWJVAMULFOMC-UHFFFAOYSA-N	0	237.0	BB	-0.043	0	Anodyne	ref	BBAARN	Nc1nc(=O)[nH]cc1I	 
O=C(O)c1cc2ncc(CCO)cn2n1	ZINC000001071558	69/69/82/342696982	HEYXKTSVKRVGOU-UHFFFAOYSA-N	-1	207.189	BB	-0.038	0	Anodyne	ref	BBAARM	O=C([O-])c1cc2ncc(CCO)cn2n1	 
CCOC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000001094008	23/79/10/170237910	IJKYMLBNYHCLIH-UHFFFAOYSA-N	0	200.154	BB	-0.251	0	Bother	ref	BBBARN	CCOC(=O)Cn1cnc([N+](=O)[O-])n1	 
Cn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O	ZINC000001238569	59/62/67/386596267	MJLKEYGTMZKPAL-UHFFFAOYSA-N	-2	215.121	BB	-0.275	0	Bother	ref	BBBARL	Cn1nc(C(=O)[O-])c([N+](=O)[O-])c1C(=O)[O-]	 
O=C(O)c1n[nH]c(C(=O)O)c1[N+](=O)[O-]	ZINC000001295917	31/45/99/386314599	DEGBMJMGROCSHR-UHFFFAOYSA-N	-2	201.094	BB	-0.286	0	Bother	ref	BBBARL	O=C([O-])c1n[nH]c(C(=O)[O-])c1[N+](=O)[O-]	 
O=c1n(-c2ccccc2)c(=O)n2n1CC(O)C2	ZINC000001422651	00/86/72/183008672	YNDWYHLIHMAPKP-UHFFFAOYSA-N	0	233.227	BB	-0.825	0	Anodyne	ref	BBAARN	O=c1n(-c2ccccc2)c(=O)n2n1CC(O)C2	 
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)O	ZINC000001529193	66/61/63/166666163	FYYSQDHBALBGHX-YFKPBYRVSA-N	-1	232.236	BB	-0.16	0	Anodyne	ref	BBAARM	CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)[O-]	in-vitro
CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000001529560	90/23/68/383902368	NGHVIOIJCVXTGV-MRKVFDINSA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)[O-]	 
CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000001529560	90/23/62/383902362	NGHVIOIJCVXTGV-MRKVFDINSA-N	0	216.262	BB	-0.539	0	Anodyne	ref	BBAARN	CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-]	 
CSCC[C@@H](NC(=O)CN)C(=O)O	ZINC000001569422	70/34/79/342703479	PFMUCCYYAAFKTH-RXMQYKEDSA-N	-1	206.267	BB	-0.732	3	Anodyne	high	BBAAHM	CSCC[C@@H](NC(=O)CN)C(=O)[O-]	in-man endogenous
CSCC[C@@H](NC(=O)CN)C(=O)O	ZINC000001569422	70/34/78/342703478	PFMUCCYYAAFKTH-RXMQYKEDSA-N	0	206.267	BB	-0.732	0	Anodyne	ref	BBAARN	CSCC[C@@H](NC(=O)C[NH3+])C(=O)[O-]	in-man endogenous
CSCC[C@H](NC(=O)CN)C(=O)O	ZINC000001569524	70/34/54/342703454	PFMUCCYYAAFKTH-YFKPBYRVSA-N	-1	206.267	BB	-0.732	3	Anodyne	high	BBAAHM	CSCC[C@H](NC(=O)CN)C(=O)[O-]	in-man endogenous
CSCC[C@H](NC(=O)CN)C(=O)O	ZINC000001569524	70/34/53/342703453	PFMUCCYYAAFKTH-YFKPBYRVSA-N	0	206.267	BB	-0.732	0	Anodyne	ref	BBAARN	CSCC[C@H](NC(=O)C[NH3+])C(=O)[O-]	in-man endogenous
Cn1c(N)c(Br)c(=O)[nH]c1=O	ZINC000001569828	70/34/76/342703476	BRSRMTYPQQXBMO-UHFFFAOYSA-N	-1	220.026	BB	-0.582	3	Anodyne	high	BBAAHM	Cn1c(N)c(Br)c(=O)[n-]c1=O	in-vitro
Cn1c(N)c(Br)c(=O)[nH]c1=O	ZINC000001569828	70/34/75/342703475	BRSRMTYPQQXBMO-UHFFFAOYSA-N	0	220.026	BB	-0.582	0	Anodyne	ref	BBAARN	Cn1c(N)c(Br)c(=O)[nH]c1=O	in-vitro
CC(C)(C)OC(=O)NCC(=O)NCC(=O)O	ZINC000001576322	70/41/31/342704131	HWBAHOVOSOAFLE-UHFFFAOYSA-N	-1	232.236	BB	-0.288	0	Anodyne	ref	BBAARM	CC(C)(C)OC(=O)NCC(=O)NCC(=O)[O-]	 
N#Cc1c(N)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000001660393	07/73/46/181077346	ZGVCESZATUMTIM-UHFFFAOYSA-N	0	202.173	BB	-0.44	0	Mild	ref	BBEARN	N#Cc1c(N)[n+]([O-])c2ccccc2[n+]1[O-]	in-vitro
NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001687183	13/33/89/357133389	QSFQGKRLZCXSPE-UHFFFAOYSA-N	0	217.206	BB	-0.253	0	Bother	ref	BBBARN	NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	 
CC(=O)CC(=O)NCCNC(=O)CC(C)=O	ZINC000001697389	70/98/32/342709832	KLZDEEDOBAPARF-UHFFFAOYSA-N	0	228.248	BB	-0.823	0	Anodyne	ref	BBAARN	CC(=O)CC(=O)NCCNC(=O)CC(C)=O	 
O=C(O)c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC000001748317	71/21/46/342712146	FXXJJBDOKNNGQF-UHFFFAOYSA-N	-2	206.157	BB	-0.085	3	Anodyne	high	BBAAHL	O=C([O-])c1ccc2c(=O)[nH][n-]c(=O)c2c1	 
O=C(O)c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC000001748317	71/21/45/342712145	FXXJJBDOKNNGQF-UHFFFAOYSA-N	-1	206.157	BB	-0.085	0	Anodyne	ref	BBAARM	O=C([O-])c1ccc2c(=O)[nH][nH]c(=O)c2c1	 
CCOC(=O)C(CO)(CO)C(=O)OCC	ZINC000001755196	18/80/96/170188096	WIOHBOKEUIHYIC-UHFFFAOYSA-N	0	220.221	BB	-0.916	0	Anodyne	ref	BBAARN	CCOC(=O)C(CO)(CO)C(=O)OCC	 
Cn1c(=O)c2ccc(C(=O)O)cc2c(=O)n1C	ZINC000001762468	71/23/37/342712337	LEASUUZBOMNQLI-UHFFFAOYSA-N	-1	234.211	BB	-0.065	0	Anodyne	ref	BBAARM	Cn1c(=O)c2ccc(C(=O)[O-])cc2c(=O)n1C	 
[O-][n+]1c(CO)c(CO)[n+]([O-])c2ccccc21	ZINC000002018052	71/44/45/342714445	DOIGHQCAQBRSKI-UHFFFAOYSA-N	0	222.2	BB	-0.909	0	Anodyne	ref	BBAARN	[O-][n+]1c(CO)c(CO)[n+]([O-])c2ccccc21	in-vitro
NCCNC1=NS(=O)(=O)c2ccccc21	ZINC000002379963	39/57/87/181395787	VJWYGEVHEKWEQZ-UHFFFAOYSA-N	0	225.273	BB	-0.316	1	Anodyne	mid	BBAAMN	NCCNC1=NS(=O)(=O)c2ccccc21	 
NCCNC1=NS(=O)(=O)c2ccccc21	ZINC000002379963	39/57/86/181395786	VJWYGEVHEKWEQZ-UHFFFAOYSA-N	1	225.273	BB	-0.316	0	Anodyne	ref	BBAARO	[NH3+]CCNC1=NS(=O)(=O)c2ccccc21	 
O=S1(=O)N=C(NCCO)c2ccccc21	ZINC000002482876	72/12/94/342721294	DYWHFCILLXJTMM-UHFFFAOYSA-N	0	226.257	BB	-0.283	0	Anodyne	ref	BBAARN	O=S1(=O)N=C(NCCO)c2ccccc21	 
Nn1c(S(=O)(=O)O)nc2ccccc21	ZINC000002512239	96/83/00/383968300	RJFWWGSHWGUCEP-UHFFFAOYSA-N	-1	213.218	BB	-0.003	0	Anodyne	ref	BBAARM	Nn1c(S(=O)(=O)[O-])nc2ccccc21	 
Cc1nn(C)cc1-c1nnc(S)n1N	ZINC000002537604	36/54/12/180365412	BRPZVQZKECANKE-UHFFFAOYSA-N	0	210.266	BB	-0.01	0	Anodyne	ref	BBAARN	Cc1nn(C)cc1C1N=NC(=S)N1N	 
NCCNC(=O)Cn1ccc(C(F)(F)F)n1	ZINC000002537896	39/40/64/181394064	SLZZQFWMEWGLIU-UHFFFAOYSA-N	1	236.197	BB	-0.023	0	Anodyne	ref	BBAARO	[NH3+]CCNC(=O)Cn1ccc(C(F)(F)F)n1	 
CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)O	ZINC000002539628	27/48/73/188274873	NGHVIOIJCVXTGV-RVJQKOHUSA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)[O-]	 
CC1(C)S[C@@H]2[C@@H](N)C(=O)N2[C@H]1C(=O)O	ZINC000002539628	27/48/71/188274871	NGHVIOIJCVXTGV-RVJQKOHUSA-N	-1	216.262	BB	-0.539	0	Anodyne	ref	BBAARM	CC1(C)S[C@@H]2[C@@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]	 
CCOC(=O)CC(=O)N1CCOCC1	ZINC000002551494	19/49/83/170194983	VZSROXUCXBXPBM-UHFFFAOYSA-N	0	201.222	BB	-0.202	0	Anodyne	ref	BBAARN	CCOC(=O)CC(=O)N1CCOCC1	 
COc1ccc(S(=O)(=O)NN)c(OC)c1	ZINC000002569081	17/44/04/175174404	ATIQRHKUIYAQID-UHFFFAOYSA-N	0	232.261	BB	-0.144	0	Anodyne	ref	BBAARN	COc1ccc(S(=O)(=O)NN)c(OC)c1	 
COc1ccc(OC)c(S(=O)(=O)NN)c1	ZINC000002569082	16/70/39/175167039	LSLFTOQPOSELNO-UHFFFAOYSA-N	0	232.261	BB	-0.144	0	Anodyne	ref	BBAARN	COc1ccc(OC)c(S(=O)(=O)NN)c1	 
COc1ccc(S(=O)(=O)NN)cc1OC	ZINC000002569083	17/45/70/175174570	YDDDONRKOUZKFG-UHFFFAOYSA-N	0	232.261	BB	-0.144	0	Anodyne	ref	BBAARN	COc1ccc(S(=O)(=O)NN)cc1OC	 
CS(=O)(=O)N1CCC[C@@H](C(=O)O)C1	ZINC000002732042	42/73/13/175427313	JYNPFTCJJVIWTD-ZCFIWIBFSA-N	-1	207.251	BB	-0.257	0	Anodyne	ref	BBAARM	CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	 
O=C(Nc1ccccc1)NC(CO)(CO)CO	ZINC000003047990	37/60/70/182376070	CEPZFYUYQQBJKP-UHFFFAOYSA-N	0	240.259	BB	-0.476	0	Anodyne	ref	BBAARN	O=C(Nc1ccccc1)NC(CO)(CO)CO	 
Cc1ccc(S(=O)(=O)N=C(N)N)cc1	ZINC000003276773	82/50/23/178825023	YMXFYAAVYBVOKE-UHFFFAOYSA-N	0	213.262	BB	-0.043	0	Mild	ref	BBEARN	Cc1ccc(S(=O)(=O)N=C(N)N)cc1	 
CC(=O)Nc1nnc(S(N)(=O)=O)s1	ZINC000003813042	10/21/28/188102128	BZKPWHYZMXOIDC-UHFFFAOYSA-N	0	222.251	BB	-0.856	0	Anodyne	ref	BBAARN	CC(=O)Nc1nnc(S(N)(=O)=O)s1	fda
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O	ZINC000003860188	22/28/55/358222855	NGHVIOIJCVXTGV-ALEPSDHESA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)[O-]	world
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O	ZINC000003860188	22/28/45/358222845	NGHVIOIJCVXTGV-ALEPSDHESA-N	0	216.262	BB	-0.539	0	Anodyne	ref	BBAARN	CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]	world
CC1(C)S[C@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000003869357	03/16/19/384031619	NGHVIOIJCVXTGV-KODRXGBYSA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)[O-]	 
CC1(C)S[C@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000003869357	03/16/12/384031612	NGHVIOIJCVXTGV-KODRXGBYSA-N	0	216.262	BB	-0.539	0	Anodyne	ref	BBAARN	CC1(C)S[C@H]2[C@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-]	 
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000003869358	27/51/79/188275179	NGHVIOIJCVXTGV-ZMIZWQJLSA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)[O-]	 
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000003869358	27/51/77/188275177	NGHVIOIJCVXTGV-ZMIZWQJLSA-N	0	216.262	BB	-0.539	0	Anodyne	ref	BBAARN	CC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-]	 
NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000003885828	08/53/05/372085305	IHLRXXTYALIWND-UHFFFAOYSA-N	0	217.206	BB	-0.253	0	Bother	ref	BBBARN	NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	 
CCOC(=O)CO/N=C(\C(=O)O)c1ccn[nH]1	ZINC000004086036	22/75/88/170227588	HWVWHAMUHWPKPD-WQLSENKSSA-N	-1	241.203	BB	-0.222	0	Mild	ref	BBEARM	CCOC(=O)CON=C(C(=O)[O-])c1cc[nH]n1	 
COC(=O)Cn1nnc2ccccc2c1=O	ZINC000004109913	74/26/18/342742618	AUTYUOCIJUZEBP-UHFFFAOYSA-N	0	219.2	BB	-0.036	0	Anodyne	ref	BBAARN	COC(=O)Cn1nnc2ccccc2c1=O	 
CCCN1C(=O)N[C@@H](CC(=O)O)C1=O	ZINC000004169248	18/49/20/169184920	CGKIRIZAUWWJEN-YFKPBYRVSA-N	-1	200.194	BB	-0.209	0	Anodyne	ref	BBAARM	CCCN1C(=O)N[C@@H](CC(=O)[O-])C1=O	 
CCCN1C(=O)N[C@H](CC(=O)O)C1=O	ZINC000004169249	18/47/80/169184780	CGKIRIZAUWWJEN-RXMQYKEDSA-N	-1	200.194	BB	-0.209	0	Anodyne	ref	BBAARM	CCCN1C(=O)N[C@H](CC(=O)[O-])C1=O	 
COCCCN1C[C@H](C(=O)O)CC1=O	ZINC000004169645	23/43/30/174234330	IULBBAKLFCDXJH-SSDOTTSWSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	COCCCN1C[C@H](C(=O)[O-])CC1=O	 
COCCCN1C[C@@H](C(=O)O)CC1=O	ZINC000004169646	23/42/88/174234288	IULBBAKLFCDXJH-ZETCQYMHSA-N	-1	201.222	BB	-0.044	0	Anodyne	ref	BBAARM	COCCCN1C[C@@H](C(=O)[O-])CC1=O	 
CCOC(=O)CNC(=O)c1nc2ncccn2n1	ZINC000004178727	22/56/22/170225622	SPKYSOCIHAIYOA-UHFFFAOYSA-N	0	249.23	BB	-0.583	0	Anodyne	ref	BBAARN	CCOC(=O)CNC(=O)c1nc2ncccn2n1	 
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1	ZINC000004203559	24/73/31/187247331	MOZOQDNRVPHFOO-RNFRBKRXSA-N	0	202.254	BB	-0.075	3	Anodyne	high	BBAAHN	CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1	 
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1	ZINC000004203559	24/73/29/187247329	MOZOQDNRVPHFOO-RNFRBKRXSA-N	1	202.254	BB	-0.075	0	Anodyne	ref	BBAARO	CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H](O)C1	 
CC1(C)NC(=O)N(CCC(=O)O)C1=O	ZINC000004205577	74/41/03/342744103	TWIDPXDENRHUJQ-UHFFFAOYSA-N	-1	200.194	BB	-0.209	0	Anodyne	ref	BBAARM	CC1(C)NC(=O)N(CCC(=O)[O-])C1=O	 
O=C(O)Cn1nc([N+](=O)[O-])cc1C(=O)O	ZINC000004294503	39/84/58/388398458	QGLGRVCKAUOUKV-UHFFFAOYSA-N	-2	215.121	BB	-0.426	0	Bother	ref	BBBARL	O=C([O-])Cn1nc([N+](=O)[O-])cc1C(=O)[O-]	 
CS(=O)(=O)N1CCC[C@H](C(=O)O)C1	ZINC000004294560	05/24/87/384052487	JYNPFTCJJVIWTD-LURJTMIESA-N	-1	207.251	BB	-0.257	0	Anodyne	ref	BBAARM	CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	 
CS(=O)(=O)NCCC1CCNCC1	ZINC000004312809	42/88/52/175428852	UGPPYKTUXGONMA-UHFFFAOYSA-N	1	206.311	BB	-0.075	0	Anodyne	ref	BBAARO	CS(=O)(=O)NCCC1CC[NH2+]CC1	 
Cn1c(=O)n(-c2ccc(N)cc2)c(=O)n1C	ZINC000004342658	74/69/92/342746992	JABGUZODAZFOCH-UHFFFAOYSA-N	0	220.232	BB	-0.543	0	Clean	ref	BBCARN	Cn1c(=O)n(-c2ccc(N)cc2)c(=O)n1C	 
O=C(O)c1cnn2cc(CCO)cnc12	ZINC000004487220	74/83/30/342748330	ZHSNJCKEJWLPRA-UHFFFAOYSA-N	-1	207.189	BB	-0.038	0	Anodyne	ref	BBAARM	O=C([O-])c1cnn2cc(CCO)cnc12	 
CCc1nnc(NC(=O)C(=O)NCCO)s1	ZINC000004501854	05/62/98/172056298	HZDOBUGVJYWLAP-UHFFFAOYSA-N	0	244.276	BB	-0.853	0	Anodyne	ref	BBAARN	CCc1nnc(NC(=O)C(=O)NCCO)s1	 
CC1(C)S[C@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000004523429	06/28/64/384062864	NGHVIOIJCVXTGV-RPDRRWSUSA-N	-1	216.262	BB	-0.539	1	Anodyne	mid	BBAAMM	CC1(C)S[C@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)[O-]	 
CC1(C)S[C@H]2[C@@H](N)C(=O)N2[C@@H]1C(=O)O	ZINC000004523429	06/28/45/384062845	NGHVIOIJCVXTGV-RPDRRWSUSA-N	0	216.262	BB	-0.539	0	Anodyne	ref	BBAARN	CC1(C)S[C@H]2[C@@H]([NH3+])C(=O)N2[C@@H]1C(=O)[O-]	 
C[C@@H](C(=O)O)N1C(=O)NC(C)(C)C1=O	ZINC000004575280	74/94/80/342749480	SSOROUYGIXEUHC-BYPYZUCNSA-N	-1	200.194	BB	-0.21	0	Anodyne	ref	BBAARM	C[C@@H](C(=O)[O-])N1C(=O)NC(C)(C)C1=O	 
C[C@H](C(=O)O)N1C(=O)NC(C)(C)C1=O	ZINC000004575281	74/93/70/342749370	SSOROUYGIXEUHC-SCSAIBSYSA-N	-1	200.194	BB	-0.21	0	Anodyne	ref	BBAARM	C[C@H](C(=O)[O-])N1C(=O)NC(C)(C)C1=O	 
CCOC(=O)C(=O)N[C@@H]1CCSC1=O	ZINC000004616892	18/44/43/170184443	RWJLXVIKSKTOGN-RXMQYKEDSA-N	0	217.246	BB	-0.302	0	Anodyne	ref	BBAARN	CCOC(=O)C(=O)N[C@@H]1CCSC1=O	 
CCOC(=O)C(=O)N[C@H]1CCSC1=O	ZINC000004616893	18/42/19/170184219	RWJLXVIKSKTOGN-YFKPBYRVSA-N	0	217.246	BB	-0.302	0	Anodyne	ref	BBAARN	CCOC(=O)C(=O)N[C@H]1CCSC1=O	 
Cn1c(=O)c2ccccc2n(CC(=O)O)c1=O	ZINC000004769777	75/17/88/342751788	CUELILSJQNHUOS-UHFFFAOYSA-N	-1	234.211	BB	-0.215	0	Anodyne	ref	BBAARM	Cn1c(=O)c2ccccc2n(CC(=O)[O-])c1=O	 
CS(=O)(=O)N1CCCC[C@@H]1C(=O)O	ZINC000004992805	42/67/81/175426781	FHJBZSSPDCFJEG-ZCFIWIBFSA-N	-1	207.251	BB	-0.115	0	Anodyne	ref	BBAARM	CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]