O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccccc1	ZINC000000040093	51/37/64/169513764	HLATVMJIFAUYOV-UHFFFAOYSA-N	-2	273.266	CB	-0.153	0	Anodyne	ref	CBAARL	O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccccc1	 
COc1cc2[nH]c(=O)n(CCO)c(=O)c2cc1OC	ZINC000000069569	29/76/98/351297698	PYGQPJKUGQLTIX-UHFFFAOYSA-N	0	266.253	CB	-0.301	0	Anodyne	ref	CBAARN	COc1cc2[nH]c(=O)n(CCO)c(=O)c2cc1OC	 
Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C	ZINC000000111876	29/95/25/351299525	UZSFDHCVDQTTID-UHFFFAOYSA-N	0	250.214	CB	-0.217	0	Bother	ref	CBBARN	Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C	 
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC	ZINC000000116290	54/14/29/169541429	KUTKKTKUSGIBPZ-UHFFFAOYSA-N	-1	293.322	CB	-0.014	3	Anodyne	high	CBAAHM	COC(=O)C[N-]S(=O)(=O)c1ccsc1C(=O)OC	 
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC	ZINC000000116290	54/14/27/169541427	KUTKKTKUSGIBPZ-UHFFFAOYSA-N	0	293.322	CB	-0.014	0	Anodyne	ref	CBAARN	COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC	 
O=C(O)CCS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000000141700	29/90/23/351299023	OZVDBHVMLBWBKC-UHFFFAOYSA-N	-1	298.276	CB	-0.535	0	Anodyne	ref	CBAARM	O=C([O-])CCS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	 
O=C(O)C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000000259545	30/03/72/351300372	LGXOWZOKHYBFFZ-UHFFFAOYSA-N	-1	278.33	CB	-0.64	0	Anodyne	ref	CBAARM	O=C([O-])C1CCN(S(=O)(=O)N2CCOCC2)CC1	 
Cc1ccc(S(N)(=O)=O)c(C)c1-n1cnnn1	ZINC000001428814	18/78/57/292187857	ZGEJQVRYHPUISD-UHFFFAOYSA-N	0	253.287	CB	-0.073	0	Anodyne	ref	CBAARN	Cc1ccc(S(N)(=O)=O)c(C)c1-n1cnnn1	 
Nc1cc(=O)[nH]c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000001452751	70/66/38/169706638	FPUIANWOPQSXSV-UHFFFAOYSA-N	0	261.237	CB	-0.104	0	Anodyne	ref	CBAARN	Nc1cc(=O)[nH]c(=O)n1Cc1ccc2c(c1)OCO2	 
Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	ZINC000001530783	34/89/29/295348929	IHJCXVZDYSXXFT-UHFFFAOYSA-N	0	285.734	CB	-0.783	0	Anodyne	ref	CBAARN	Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O	in-vivo
NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000001682827	30/61/08/351306108	XHVSGSRXJIQTLS-UHFFFAOYSA-N	0	254.267	CB	-0.429	0	Anodyne	ref	CBAARN	NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	 
O=C1C=C(N2CCOCC2)C(N2CCOCC2)=CC1=O	ZINC000001708266	30/57/04/351305704	CBOGDPVZDITNCU-UHFFFAOYSA-N	0	278.308	CB	-0.43	0	Mild	ref	CBEARN	O=C1C=C(N2CCOCC2)C(N2CCOCC2)=CC1=O	 
NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000001985799	30/64/62/351306462	PQTYDOPYQOAELL-ZETCQYMHSA-N	-1	284.293	CB	-0.229	0	Anodyne	ref	CBAARM	NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	 
NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1	ZINC000001985800	76/55/37/169765537	PQTYDOPYQOAELL-SSDOTTSWSA-N	-1	284.293	CB	-0.229	0	Anodyne	ref	CBAARM	NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	 
Cn1c(C(=O)O)c(Br)c(=O)n(C)c1=O	ZINC000002379749	30/80/73/351308073	YLHNSMAGWZXPOQ-UHFFFAOYSA-N	-1	263.047	CB	-0.455	0	Anodyne	ref	CBAARM	Cn1c(C(=O)[O-])c(Br)c(=O)n(C)c1=O	 
N#CCC(=O)NCc1ccc(S(N)(=O)=O)cc1	ZINC000002751720	82/57/38/169825738	HJAVMDRFYNCFKJ-UHFFFAOYSA-N	0	253.283	CB	-0.136	0	Mild	ref	CBEARN	N#CCC(=O)NCc1ccc(S(N)(=O)=O)cc1	 
CC(CO)(CO)NC(=O)C(=O)Nc1ccccc1	ZINC000002812400	83/42/39/169834239	FNWXOYAJEXJJAC-UHFFFAOYSA-N	0	252.27	CB	-0.515	0	Anodyne	ref	CBAARN	CC(CO)(CO)NC(=O)C(=O)Nc1ccccc1	 
O=C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002944731	31/15/89/351311589	UKNQJRNNXSNVTM-UHFFFAOYSA-N	-1	260.227	CB	-0.042	0	Bother	ref	CBBARM	O=C([O-])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	 
O=S1(=O)N=C(NCCOCCO)c2ccccc21	ZINC000003178047	86/53/27/169865327	IJXVIUIBZJOHIU-UHFFFAOYSA-N	0	270.31	CB	-0.266	0	Anodyne	ref	CBAARN	O=S1(=O)N=C(NCCOCCO)c2ccccc21	 
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000003779042	31/43/26/351314326	HBOMLICNUCNMMY-XLPZGREQSA-N	0	267.245	CB	-0.196	0	Clean	ref	CBCARN	Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	fda
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000004467870	96/98/15/169969815	HBOMLICNUCNMMY-BWZBUEFSSA-N	0	267.245	CB	-0.196	0	Clean	ref	CBCARN	Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
COC(=O)C1CCN(S(=O)(=O)N(C)C)CC1	ZINC000004524775	94/56/66/290945666	YTMFEVNDIOYERE-UHFFFAOYSA-N	0	250.32	CB	-0.322	0	Anodyne	ref	CBAARN	COC(=O)C1CCN(S(=O)(=O)N(C)C)CC1	 
O=C(O)CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000004716685	00/41/19/170004119	QEINYUWYDDOZLQ-UHFFFAOYSA-N	-1	284.293	CB	-0.066	0	Anodyne	ref	CBAARM	O=C([O-])CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	 
Cn1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1	ZINC000004944991	04/37/87/170043787	RKYIHXMEFXISKO-UHFFFAOYSA-N	-1	273.314	CB	-0.095	0	Anodyne	ref	CBAARM	Cn1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	 
COc1cc2nc(N=C(N)N)[nH]c(=O)c2cc1OC	ZINC000006136419	10/34/90/274103490	YWLNDYANIWBMAJ-UHFFFAOYSA-N	1	263.257	CB	-0.155	0	Mild	ref	CBEARO	COc1cc2nc(NC(N)=[NH2+])[nH]c(=O)c2cc1OC	 
Nc1[nH]c(=O)[nH]c(=O)c1I	ZINC000006239843	34/40/44/295344044	ORBNTGMFRRQEMM-UHFFFAOYSA-N	-1	252.999	CB	-0.75	1	Anodyne	mid	CBAAMM	Nc1[nH]c(=O)[n-]c(=O)c1I	 
Nc1[nH]c(=O)[nH]c(=O)c1I	ZINC000006239843	34/40/36/295344036	ORBNTGMFRRQEMM-UHFFFAOYSA-N	0	252.999	CB	-0.75	0	Anodyne	ref	CBAARN	Nc1[nH]c(=O)[nH]c(=O)c1I	 
O=C(O)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	ZINC000006423753	20/01/75/170200175	GTRGMUITOGQNFD-UHFFFAOYSA-N	-1	259.287	CB	-0.105	0	Anodyne	ref	CBAARM	O=C([O-])C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	 
O=C(O)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	ZINC000006423754	19/98/70/170199870	VHXSXLGCRWLSBA-ZETCQYMHSA-N	-1	259.287	CB	-0.105	0	Anodyne	ref	CBAARM	O=C([O-])[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	 
O=C(O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	ZINC000006423755	19/99/89/170199989	VHXSXLGCRWLSBA-SSDOTTSWSA-N	-1	259.287	CB	-0.105	0	Anodyne	ref	CBAARM	O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	 
O=C(O)CNC(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000009184492	36/56/01/170365601	IYUJGAVRJVBWQQ-UHFFFAOYSA-N	-1	261.237	CB	-0.334	0	Anodyne	ref	CBAARM	O=C([O-])CNC(=O)Cc1n[nH]c(=O)c2ccccc12	 
CCOC(=O)c1cc(=O)n(C)c2c1c(=O)n(C)c(=O)n2C	ZINC000013362666	33/65/11/351336511	XCLDFQAJKGTZAC-UHFFFAOYSA-N	0	293.279	CB	-0.887	0	Anodyne	ref	CBAARN	CCOC(=O)c1cc(=O)n(C)c2c1c(=O)n(C)c(=O)n2C	 
COC(=O)c1cc(/N=C(\N)N=C(N)N)cc(C(=O)OC)c1	ZINC000018169298	34/77/47/351347747	BPJJZRHMSVZFBN-UHFFFAOYSA-N	2	293.283	CB	-0.521	1	Mild	mid	CBEAMP	COC(=O)c1cc(NC(=[NH2+])NC(N)=[NH2+])cc(C(=O)OC)c1	 
COC(=O)c1cc(/N=C(\N)N=C(N)N)cc(C(=O)OC)c1	ZINC000018169298	34/77/40/351347740	BPJJZRHMSVZFBN-UHFFFAOYSA-N	1	293.283	CB	-0.521	0	Mild	ref	CBEARO	COC(=O)c1cc(NC(=N)NC(N)=[NH2+])cc(C(=O)OC)c1	 
NS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000019266574	76/46/16/170764616	HRLFDRSFTODIRL-VIFPVBQESA-N	-1	298.32	CB	-0.233	0	Anodyne	ref	CBAARM	NS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1	 
NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1	ZINC000019266576	34/94/28/351349428	HRLFDRSFTODIRL-SECBINFHSA-N	-1	298.32	CB	-0.233	0	Anodyne	ref	CBAARM	NS(=O)(=O)c1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1	 
CC(=O)N1CCC(NCCN2CCOCC2)CC1	ZINC000019735749	35/00/43/351350043	SNHKBVBCZLOYLR-UHFFFAOYSA-N	1	255.362	CB	-0.081	0	Anodyne	ref	CBAARO	CC(=O)N1CCC([NH2+]CCN2CCOCC2)CC1	 
CN1C(=O)C(=CNCC2CCNCC2)C(=O)N(C)C1=O	ZINC000019758764	35/19/67/351351967	IAHWDMXDFMQYHH-UHFFFAOYSA-N	1	280.328	CB	-0.49	0	Clean	ref	CBCARO	CN1C(=O)C(=CNCC2CC[NH2+]CC2)C(=O)N(C)C1=O	 
O=S1(=O)N=C(N2CCN(CCO)CC2)c2ccccc21	ZINC000019866612	35/14/88/351351488	POOAXYKZAFOTMJ-UHFFFAOYSA-N	0	295.364	CB	-0.255	0	Anodyne	ref	CBAARN	O=S1(=O)N=C(N2CCN(CCO)CC2)c2ccccc21	 
Cc1nc2ncc3c(=O)n(CC(=O)O)ccc3n2n1	ZINC000020427142	35/31/75/351353175	XPYZHXFUWFZFST-UHFFFAOYSA-N	-1	259.225	CB	-0.168	0	Anodyne	ref	CBAARM	Cc1nc2ncc3c(=O)n(CC(=O)[O-])ccc3n2n1	 
Cn1c(=O)n(C)c2cc(NC(=O)COCC(=O)O)ccc21	ZINC000020428169	19/36/94/171193694	NXOMHWZAYSWVRP-UHFFFAOYSA-N	-1	293.279	CB	-0.083	0	Anodyne	ref	CBAARM	Cn1c(=O)n(C)c2cc(NC(=O)COCC(=O)[O-])ccc21	 
COc1ccc(S(=O)(=O)N=C(N)N)cc1OC	ZINC000020856922	27/64/17/171276417	VTYVJIPIQRYBHB-UHFFFAOYSA-N	0	259.287	CB	-0.334	0	Mild	ref	CBEARN	COc1ccc(S(=O)(=O)N=C(N)N)cc1OC	 
O=C(O)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000022015674	34/96/04/171349604	NTGCPZWTZOCFCG-UHFFFAOYSA-N	-1	286.265	CB	-0.62	0	Anodyne	ref	CBAARM	O=C([O-])CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2	 
CCN1CCN(C2=NC[C@@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126980	35/44/93/171354493	SPOLJZXSKFCWOX-SNVBAGLBSA-N	2	282.344	CB	-0.711	2	Anodyne	low	CBAALP	CC[NH+]1CCN(C2=[NH+]C[C@@H](CC(=O)OC)C(=O)N2)CC1	 
CCN1CCN(C2=NC[C@@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126980	35/44/91/171354491	SPOLJZXSKFCWOX-SNVBAGLBSA-N	0	282.344	CB	-0.711	1	Anodyne	mid	CBAAMN	CCN1CCN(C2=NC[C@@H](CC(=O)OC)C(=O)N2)CC1	 
CCN1CCN(C2=NC[C@@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126980	35/44/89/171354489	SPOLJZXSKFCWOX-SNVBAGLBSA-N	1	282.344	CB	-0.711	0	Anodyne	ref	CBAARO	CC[NH+]1CCN(C2=NC[C@@H](CC(=O)OC)C(=O)N2)CC1	 
CCN1CCN(C2=NC[C@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126983	35/47/44/171354744	SPOLJZXSKFCWOX-JTQLQIEISA-N	2	282.344	CB	-0.711	2	Anodyne	low	CBAALP	CC[NH+]1CCN(C2=[NH+]C[C@H](CC(=O)OC)C(=O)N2)CC1	 
CCN1CCN(C2=NC[C@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126983	35/47/43/171354743	SPOLJZXSKFCWOX-JTQLQIEISA-N	0	282.344	CB	-0.711	1	Anodyne	mid	CBAAMN	CCN1CCN(C2=NC[C@H](CC(=O)OC)C(=O)N2)CC1	 
CCN1CCN(C2=NC[C@H](CC(=O)OC)C(=O)N2)CC1	ZINC000022126983	35/47/41/171354741	SPOLJZXSKFCWOX-JTQLQIEISA-N	1	282.344	CB	-0.711	0	Anodyne	ref	CBAARO	CC[NH+]1CCN(C2=NC[C@H](CC(=O)OC)C(=O)N2)CC1	 
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCNCC1	ZINC000022458553	42/46/22/296424622	KDARPBVDZSKVMZ-MPZDIEGVSA-N	1	275.352	CB	-0.301	0	Anodyne	ref	CBABRO	O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CC[NH2+]CC1	 
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCNCC1	ZINC000022916761	86/17/81/567861781	KDARPBVDZSKVMZ-RNJOBUHISA-N	1	275.352	CB	-0.301	0	Anodyne	ref	CBABRO	O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CC[NH2+]CC1	 
CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000026468558	40/10/97/278401097	KOZDDZXSEPRNPZ-BDAKNGLRSA-N	1	276.358	CB	-0.008	2	Anodyne	low	CBAALO	CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21	 
CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000026468558	40/10/96/278401096	KOZDDZXSEPRNPZ-BDAKNGLRSA-N	0	276.358	CB	-0.008	0	Anodyne	ref	CBAARN	CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21	 
CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000026468565	18/93/45/277189345	KOZDDZXSEPRNPZ-IUCAKERBSA-N	1	276.358	CB	-0.008	2	Anodyne	low	CBAALO	CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]21	 
CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000026468565	18/93/41/277189341	KOZDDZXSEPRNPZ-IUCAKERBSA-N	0	276.358	CB	-0.008	0	Anodyne	ref	CBAARN	CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@@H]21	 
CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000026468569	36/67/68/351366768	KOZDDZXSEPRNPZ-RKDXNWHRSA-N	1	276.358	CB	-0.008	2	Anodyne	low	CBAALO	CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]21	 
CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000026468569	36/67/61/351366761	KOZDDZXSEPRNPZ-RKDXNWHRSA-N	0	276.358	CB	-0.008	0	Anodyne	ref	CBAARN	CC(C)(C)OC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@H]21	 
CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000026468576	36/70/27/351367027	KOZDDZXSEPRNPZ-DTWKUNHWSA-N	1	276.358	CB	-0.008	2	Anodyne	low	CBAALO	CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000026468576	36/70/25/351367025	KOZDDZXSEPRNPZ-DTWKUNHWSA-N	0	276.358	CB	-0.008	0	Anodyne	ref	CBAARN	CC(C)(C)OC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
Cc1nnc2c(=O)n(CC(=O)O)c3cccnc3n12	ZINC000032918586	82/54/36/302825436	CWLZPYOQJGPPPG-UHFFFAOYSA-N	-1	259.225	CB	-0.168	0	Anodyne	ref	CBAARM	Cc1nnc2c(=O)n(CC(=O)[O-])c3cccnc3n12	 
Cn1c(=O)c(-c2noc(O)n2)nn(-c2ccccc2)c1=O	ZINC000032918666	38/17/65/351381765	YPBAGIQPIWCQHE-UHFFFAOYSA-N	-1	287.235	CB	-0.313	0	Anodyne	ref	CBAARM	Cn1c(=O)c(-c2nc(=O)o[n-]2)nn(-c2ccccc2)c1=O	 
CCOC(=O)Cc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C	ZINC000032918667	38/17/12/351381712	RMBXXGFYNXSSAS-UHFFFAOYSA-N	0	279.296	CB	-0.021	0	Anodyne	ref	CBAARN	CCOC(=O)Cc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C	 
O=C(O)c1cnc2sc(N3CCOCC3)nn2c1=O	ZINC000032918757	38/11/61/351381161	IKTSVOUKUVHYQF-UHFFFAOYSA-N	-1	282.281	CB	-0.314	0	Anodyne	ref	CBAARM	O=C([O-])c1cnc2sc(N3CCOCC3)nn2c1=O	 
O=C(O)CN1S(=O)(=O)c2ccccc2S1(=O)=O	ZINC000034138958	06/79/14/304067914	HKGHDPHNRYKTNW-UHFFFAOYSA-N	-1	277.279	CB	-0.536	0	Anodyne	ref	CBAARM	O=C([O-])CN1S(=O)(=O)c2ccccc2S1(=O)=O	 
NS(=O)(=O)c1ccc2oc(N3CCNCC3)nc2c1	ZINC000034924865	38/42/34/351384234	JDNQJLVQBNKCAW-UHFFFAOYSA-N	0	282.325	CB	-0.115	3	Anodyne	high	CBAAHN	NS(=O)(=O)c1ccc2oc(N3CCNCC3)nc2c1	 
NS(=O)(=O)c1ccc2oc(N3CCNCC3)nc2c1	ZINC000034924865	38/42/30/351384230	JDNQJLVQBNKCAW-UHFFFAOYSA-N	1	282.325	CB	-0.115	0	Anodyne	ref	CBAARO	NS(=O)(=O)c1ccc2oc(N3CC[NH2+]CC3)nc2c1	 
O=C(O)CCCn1nnnc1CN1CCOCC1	ZINC000034925451	38/47/89/351384789	QGEWRWNPVHWFQF-UHFFFAOYSA-N	-1	255.278	CB	-0.63	0	Anodyne	ref	CBAARM	O=C([O-])CCCn1nnnc1CN1CCOCC1	 
C[C@H]1CN(Cc2nnnn2CC(=O)O)C[C@@H](C)O1	ZINC000034925453	38/46/68/351384668	MKUVHPKTZNXZGP-OCAPTIKFSA-N	-1	255.278	CB	-0.633	0	Anodyne	ref	CBAARM	C[C@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@@H](C)O1	 
C[C@H]1CN(Cc2nnnn2CC(=O)O)C[C@H](C)O1	ZINC000034925454	89/43/28/171894328	MKUVHPKTZNXZGP-YUMQZZPRSA-N	-1	255.278	CB	-0.633	0	Anodyne	ref	CBAARM	C[C@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@H](C)O1	 
C[C@@H]1CN(Cc2nnnn2CC(=O)O)C[C@@H](C)O1	ZINC000034925455	38/49/19/351384919	MKUVHPKTZNXZGP-HTQZYQBOSA-N	-1	255.278	CB	-0.633	0	Anodyne	ref	CBAARM	C[C@@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@@H](C)O1	 
OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000038352321	14/08/31/174140831	HYLACZDFUVNNIQ-RKQHYHRCSA-N	0	279.292	CB	-0.386	0	Anodyne	ref	CBAARN	OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O	 
CSc1ncc2c(n1)O[C@@H]1CNC[C@@H]1NC2=O	ZINC000045796127	73/53/01/286735301	QCHXVCCBRSNZBJ-NKWVEPMBSA-N	1	252.299	CB	-0.339	0	Anodyne	ref	CBAARO	CSc1ncc2c(n1)O[C@@H]1C[NH2+]C[C@@H]1NC2=O	 
CSc1ncc2c(n1)O[C@H]1CNC[C@@H]1NC2=O	ZINC000045796128	53/62/39/277536239	QCHXVCCBRSNZBJ-BQBZGAKWSA-N	1	252.299	CB	-0.339	0	Anodyne	ref	CBAARO	CSc1ncc2c(n1)O[C@H]1C[NH2+]C[C@@H]1NC2=O	 
CSc1ncc2c(n1)O[C@@H]1CNC[C@H]1NC2=O	ZINC000045796129	69/04/93/295690493	QCHXVCCBRSNZBJ-RNFRBKRXSA-N	1	252.299	CB	-0.339	0	Anodyne	ref	CBAARO	CSc1ncc2c(n1)O[C@@H]1C[NH2+]C[C@H]1NC2=O	 
CSc1ncc2c(n1)O[C@H]1CNC[C@H]1NC2=O	ZINC000045796130	69/04/29/295690429	QCHXVCCBRSNZBJ-RQJHMYQMSA-N	1	252.299	CB	-0.339	0	Anodyne	ref	CBAARO	CSc1ncc2c(n1)O[C@H]1C[NH2+]C[C@H]1NC2=O	 
CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCN	ZINC000045796143	38/40/61/175384061	JZQJTEGCWXAJHE-UHFFFAOYSA-N	1	269.33	CB	-0.36	0	Anodyne	ref	CBAARO	CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CC[NH3+]	 
NC(=O)Cn1cc(I)cn1	ZINC000047218731	45/96/19/351459619	WVYADYRFWCBASA-UHFFFAOYSA-N	0	251.027	CB	-0.027	0	Anodyne	ref	CBAARN	NC(=O)Cn1cc(I)cn1	 
CCOC(=O)C1CCN([C@H]2CC(=O)NC2=O)CC1	ZINC000050047884	49/83/13/351498313	ZDVOXYCRHDDOEH-VIFPVBQESA-N	1	254.286	CB	-0.323	2	Anodyne	low	CBAALO	CCOC(=O)C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1	 
CCOC(=O)C1CCN([C@H]2CC(=O)NC2=O)CC1	ZINC000050047884	49/83/02/351498302	ZDVOXYCRHDDOEH-VIFPVBQESA-N	0	254.286	CB	-0.323	0	Anodyne	ref	CBAARN	CCOC(=O)C1CCN([C@H]2CC(=O)NC2=O)CC1	 
CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000063772458	58/51/26/351585126	CFVLSHVOFAKUNS-UHFFFAOYSA-N	0	268.294	CB	-0.168	0	Anodyne	ref	CBAARN	CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	 
OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O	ZINC000063772481	55/45/01/296554501	HYLACZDFUVNNIQ-RYMFRWLXSA-N	0	279.292	CB	-0.386	0	Anodyne	ref	CBAARN	OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O	 
OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000063772482	58/42/46/351584246	HYLACZDFUVNNIQ-MQLXINIDSA-N	0	279.292	CB	-0.386	0	Anodyne	ref	CBAARN	OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O	 
OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000063772483	55/46/41/296554641	HYLACZDFUVNNIQ-MEBFFEOJSA-N	0	279.292	CB	-0.386	0	Anodyne	ref	CBAARN	OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O	 
OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000063772484	58/45/56/351584556	HYLACZDFUVNNIQ-ZUWCUPBKSA-N	0	279.292	CB	-0.386	0	Anodyne	ref	CBAARN	OC[C@@H]1O[C@@H](n2ccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O	 
O=S(=O)(CCNCc1cccnc1)N1CCOCC1	ZINC000064038001	58/50/99/351585099	BCWVRPQACSURIR-UHFFFAOYSA-N	0	285.369	CB	-0.167	1	Anodyne	mid	CBAAMN	O=S(=O)(CCNCc1cccnc1)N1CCOCC1	 
O=S(=O)(CCNCc1cccnc1)N1CCOCC1	ZINC000064038001	58/50/95/351585095	BCWVRPQACSURIR-UHFFFAOYSA-N	1	285.369	CB	-0.167	0	Anodyne	ref	CBAARO	O=S(=O)(CC[NH2+]Cc1cccnc1)N1CCOCC1	 
O=S(=O)(CCNCc1ccccn1)N1CCOCC1	ZINC000066323465	59/78/36/351597836	CMZRVNKRKFOXAI-UHFFFAOYSA-N	1	285.369	CB	-0.167	1	Anodyne	mid	CBAAMO	O=S(=O)(CC[NH2+]Cc1ccccn1)N1CCOCC1	 
O=S(=O)(CCNCc1ccccn1)N1CCOCC1	ZINC000066323465	59/78/33/351597833	CMZRVNKRKFOXAI-UHFFFAOYSA-N	0	285.369	CB	-0.167	0	Anodyne	ref	CBAARN	O=S(=O)(CCNCc1ccccn1)N1CCOCC1	 
COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O	ZINC000095117685	06/60/08/285066008	WUYOPHOHVBKNHH-AXFHLTTASA-N	1	269.345	CB	-0.462	1	Anodyne	mid	CBAAMO	COCCNC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O	 
COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O	ZINC000095117685	06/60/07/285066007	WUYOPHOHVBKNHH-AXFHLTTASA-N	0	269.345	CB	-0.462	0	Anodyne	ref	CBAARN	COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O	 
COCCNC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000095117686	76/82/48/351768248	WUYOPHOHVBKNHH-GARJFASQSA-N	1	269.345	CB	-0.462	1	Anodyne	mid	CBABMO	COCCNC(=O)C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O	 
COCCNC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000095117686	76/82/46/351768246	WUYOPHOHVBKNHH-GARJFASQSA-N	0	269.345	CB	-0.462	0	Anodyne	ref	CBABRN	COCCNC(=O)C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O	 
COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000095117687	76/81/97/351768197	WUYOPHOHVBKNHH-DCAQKATOSA-N	1	269.345	CB	-0.462	1	Anodyne	mid	CBAAMO	COCCNC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O	 
COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000095117687	76/81/94/351768194	WUYOPHOHVBKNHH-DCAQKATOSA-N	0	269.345	CB	-0.462	0	Anodyne	ref	CBAARN	COCCNC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O	 
Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1	ZINC000096328826	77/48/82/351774882	GBWNQBBVSVGAAL-UHFFFAOYSA-N	-2	253.257	CB	-0.238	0	Anodyne	ref	CBAARL	Nc1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1	 
O=C(O)C[C@@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	ZINC000100162190	07/45/42/304074542	YMYDKSMHYXRKDM-YFKPBYRVSA-N	-1	265.225	CB	-0.618	0	Anodyne	ref	CBAARM	O=C([O-])C[C@@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	 
O=C(O)C[C@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	ZINC000100162194	08/24/63/304082463	YMYDKSMHYXRKDM-RXMQYKEDSA-N	-1	265.225	CB	-0.618	0	Anodyne	ref	CBAARM	O=C([O-])C[C@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	 
CCOC(=O)C1CCN([C@@H]2CC(=O)NC2=O)CC1	ZINC000100783866	78/13/18/351781318	ZDVOXYCRHDDOEH-SECBINFHSA-N	1	254.286	CB	-0.323	2	Anodyne	low	CBAALO	CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1	 
CCOC(=O)C1CCN([C@@H]2CC(=O)NC2=O)CC1	ZINC000100783866	78/13/13/351781313	ZDVOXYCRHDDOEH-SECBINFHSA-N	0	254.286	CB	-0.323	0	Anodyne	ref	CBAARN	CCOC(=O)C1CCN([C@@H]2CC(=O)NC2=O)CC1	 
COCCNC(=O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O	ZINC000102133143	06/59/61/285065961	WUYOPHOHVBKNHH-VWYCJHECSA-N	1	269.345	CB	-0.462	1	Anodyne	mid	CBAAMO	COCCNC(=O)C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O