Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-044-726-717	1	COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23
MolPort-044-726-717	1	COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23
MCULE-4086432588	1	O=C([C@@H](C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N(C)[C@@H](CC2)C1
MCULE-6115002034	1	O(C([C@@H](C1C=CC=CC=1)CO)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C
MCULE-5049980463	1	O(C([C@@H](CO)C1=CC=CC=C1)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C
MCULE-1764209130	1	N1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@]([H])(CO)C1=CC=CC=C1)C2
MCULE-7662254879	1	[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-9094179165	1	N1(C)C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-9149653773	1	[N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-5177393878	1	O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C
MolPort-046-158-431	0.99	COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23
MolPort-046-158-431	0.99	COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23
MCULE-7044673430	0.99	[Cl-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
MCULE-2808921144	0.99	O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C.[Br-]
MCULE-9236781222	0.99	[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2
MCULE-3274523980	0.99	O=C(C(C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N[C@@H](CC2)C1
MCULE-1442325143	0.99	[N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[Br-]
MolPort-044-723-196	0.98	COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-039-338-413	0.98	COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-000-160-612	0.98	COc1cc2CCNC3Cc4ccc(O)cc4-c(c1OC)c23
MolPort-001-728-186	0.98	COc1cc2CCN(C)C3Cc4ccccc4-c(c1OC)c23
MolPort-003-811-346	0.98	COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-039-338-413	0.98	COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-016-638-487	0.98	COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-044-723-196	0.98	COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23
MolPort-046-417-459	0.97	Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-776	0.97	COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-137	0.97	COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-001-728-107	0.97	COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-046-417-459	0.97	Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-776	0.97	COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-207	0.96	COc1cc2CC3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
MolPort-000-726-839	0.96	[Cl-].COc1cc-2c(CC3[NH+](C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-578	0.96	COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-035-705-709	0.96	COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
MolPort-035-705-709	0.96	COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O
MolPort-003-894-407	0.96	Cl.COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
MolPort-021-804-578	0.96	COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-003-804-060	0.96	COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O
MolPort-001-728-091	0.96	COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-000-880-959	0.96	COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MCULE-8404575155	0.96	N1(C)C2CCC1CC(OC(=O)CC1C=CC=CC=1)C2
MCULE-4907571371	0.96	C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1
MolPort-016-638-405	0.95	Cl.COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-000-712-291	0.95	[Cl-].COc1cc2CC3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-002-325-560	0.95	Cl.COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
MolPort-046-509-032	0.95	COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23
MolPort-046-509-032	0.95	COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23
MCULE-4352645763	0.95	[N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2
MCULE-1521238572	0.95	[O-]N(=O)=O.C12CCC(CC(OC(=O)C(CO)C3C=CC=CC=3)C1)[N+]2(C)C
MCULE-3956868404	0.95	C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1
MolPort-035-705-707	0.94	COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC
MolPort-001-728-159	0.94	COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-001-728-104	0.94	COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-005-944-804	0.94	COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23
MolPort-001-728-113	0.94	COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23
MolPort-004-955-365	0.94	COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(O)c-2c34)cc1O
MolPort-039-052-582	0.94	COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O
MolPort-019-879-464	0.94	COc1cc-2c(C[C@@H]3NCCc4cc(OC)c(O)c-2c34)cc1O
MolPort-005-944-803	0.94	COc1cc2CCN[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23
MolPort-035-705-708	0.94	COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O
MolPort-035-705-708	0.94	COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O
MolPort-039-052-582	0.94	COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O
MolPort-035-705-707	0.94	COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC
MCULE-5598343768	0.94	[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2
MCULE-2314130470	0.94	Cl.C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1
MCULE-6861535689	0.94	C(CO)(CC)(C1C=CC=CC=1)C(=O)OC1CC2N(C)C(CC2)C1.Br
MolPort-009-758-341	0.93	[I-].COc1cc2CC[N+](C)(C)[C@H]3Cc4cccc(OC)c4-c(c1O)c23
MolPort-001-742-663	0.93	COc1ccc2CC3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MolPort-000-745-331	0.93	[I-].COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23
MolPort-000-831-954	0.93	Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O
MolPort-000-881-669	0.93	COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MCULE-2140948986	0.93	[N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.S(=O)(=O)([O-])[O-]
MCULE-1069736810	0.93	[N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2
MCULE-5981343996	0.93	[NH+]1(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.S(O)(=O)(=O)[O-]
MolPort-009-758-319	0.92	Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC
MolPort-001-728-108	0.92	COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-001-728-145	0.92	COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-000-880-958	0.92	COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O
MCULE-9583426095	0.92	C1=CC=C(C=C1)CC(=O)OCC1CCCN2CCCCC21
MCULE-1522379809	0.92	C(=O)(OC1CCC2N(C)C(CC2)C1)C(CO)C1C=CC=CC=1
MCULE-8910527018	0.92	N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC=CC=1)=O
MCULE-6806105930	0.92	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C
MolPort-046-594-322	0.91	[Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-046-594-322	0.91	[Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-039-338-202	0.91	[Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-000-741-480	0.91	[I-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-006-069-296	0.91	[I-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MolPort-039-338-202	0.91	[Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O
MCULE-6111826573	0.91	[C@@H]1(O)C[C@@H]2N(C)[C@H]1C[C@@H](C2)OC(=O)[C@@H](CO)C1C=CC=CC=1
MCULE-8578717152	0.91	C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1
MCULE-8879043093	0.91	[N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-1020725763	0.91	[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C
MCULE-2900384139	0.91	CN1[C@@]2(C[C@@H](C[C@]1([C@@H](C2)O)[H])OC(=O)[C@@H](C1C=CC=CC=1)CO)[H]
MCULE-9570543712	0.91	C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)O[C@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-3459933530	0.91	N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1
MCULE-4619581784	0.91	N12CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12
MCULE-9502913097	0.91	N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2
MCULE-7361462883	0.91	[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C
MCULE-3922871276	0.91	[N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.[Br-]
MCULE-9631538545	0.91	CN1[C@H]2C[C@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@@H]1[C@@H](O)C2
MCULE-5255660147	0.91	CN1C2CC(OC(C(C3C=CC=CC=3)CO)=O)CC1CC2O
MCULE-2778105839	0.91	N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1
MCULE-6393543163	0.90	[I-].[N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-3161322920	0.90	Br.N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1
MolPort-039-141-795	0.90	CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23
MolPort-046-158-528	0.90	COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
MolPort-001-728-098	0.90	CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-039-141-795	0.90	CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23
MolPort-001-728-191	0.90	C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23
MolPort-046-158-528	0.90	COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
MCULE-9209059664	0.90	Cl.C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1
MCULE-5782685780	0.90	N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2.Cl
MCULE-6424991311	0.90	[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C.[I-]
MCULE-9752618201	0.90	Cl.N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1
MolPort-009-758-260	0.89	[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-000-716-723	0.89	[Cl-].C[NH+]1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-009-757-632	0.89	Cl.CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23
MolPort-000-716-197	0.89	[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23
MCULE-4069736232	0.88	N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(CC)C1=CC=CC=C1
MCULE-2698601005	0.88	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C
MCULE-1432508651	0.88	N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1=CC=CC=C1
MolPort-044-723-349	0.88	CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23
MolPort-000-744-826	0.88	[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4CC1c23
MolPort-044-723-349	0.88	CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23
MolPort-006-069-104	0.88	COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34
MolPort-009-758-085	0.88	[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4C[C@@H]1c23
MCULE-4782455287	0.87	S([O-])(=O)(=O)OC.C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1
MCULE-3357701074	0.86	O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-4009850984	0.86	O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
MCULE-1554479850	0.86	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C.[I-]
MCULE-7109134658	0.86	N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2
MCULE-1966757857	0.86	[N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2
MolPort-005-944-802	0.86	COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)[O-])cc(OC)c(OC)c-24)cc1O
MCULE-9493769202	0.85	Br.O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C
MCULE-4330080118	0.85	[N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2.[Br-]
MCULE-8936787872	0.85	[N+]1(C)(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1C=CC=CC=1)C2
MCULE-7885256638	0.85	N1(C)C2CCC1CC(OC(=O)C1(CCCC1)C1C=CC=CC=1)C2
MCULE-9922406047	0.85	Cl.OC(C(OC1CC2CCC(N2C)C1)=O)C1=CC=CC=C1
MCULE-7216612890	0.85	[N+]1(C)(C)C2CCC1CC(OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-8960409513	0.85	Br.N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2
MCULE-7840666108	0.85	N1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-4243504160	0.85	O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]
MolPort-042-665-655	0.85	Br.Oc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O
MolPort-000-730-654	0.85	O.[Cl-].C[NH+]1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MolPort-042-665-656	0.85	Br.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
MolPort-039-098-334	0.85	Cl.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MolPort-046-688-634	0.85	Cl.[2H]c1c([2H])c2CCN(C)[C@@H]3Cc4c([2H])c([2H])c(O)c(O)c4-c(c1[2H])c23
MolPort-044-181-450	0.85	Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31
MolPort-035-705-704	0.85	COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13
MolPort-035-705-704	0.85	COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13
MolPort-044-181-450	0.85	Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31
MolPort-004-828-866	0.85	CN1CCc2cccc-3c2C1Cc1ccc(O)c(O)c-31
MolPort-042-665-656	0.85	Br.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
MolPort-003-983-404	0.85	Cl.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
MolPort-003-930-972	0.85	O.Cl.Cl.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
MolPort-039-098-334	0.85	Cl.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MolPort-046-688-634	0.85	Cl.[2H]c1c([2H])c2CCN(C)[C@@H]3Cc4c([2H])c([2H])c(O)c(O)c4-c(c1[2H])c23
MolPort-001-910-168	0.85	COc1cc2CCN(C3Cc4ccc(OC(C)=O)cc4-c(c1OC)c23)C(C)=O
MolPort-042-665-655	0.85	Br.Oc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O
MolPort-002-507-063	0.85	CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
MCULE-4065948935	0.84	[N+]1(C)(CC#C)C2CC(CC1CC2O)OC(=O)C(CO)C1=CC=CC=C1
MCULE-8148127006	0.84	[N+]1(C)(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1C=CC=CC=1)C2.[I-]
MCULE-6350961922	0.84	C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-8229626264	0.84	C1CC2N(C)C1CC(OC(C(=C)C1C=CC=CC=1)=O)C2
MCULE-1049895234	0.84	[C@]12([C@@]3([H])C[C@@H](OC(=O)[C@H](CO)C4C=CC=CC=4)C[C@]([H])([N+]3(C)C)[C@]1([H])O2)[H]
MCULE-5389252451	0.84	C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC
MCULE-7324716873	0.84	C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C
MCULE-4026899885	0.84	[C@@H]1(OC(=O)[C@@H](C2C=CC=CC=2)CO)C[C@H]2N(C)[C@H]([C@H]3[C@@H]2O3)C1
MCULE-3033075086	0.84	[NH+]1(C)C2CCC1CC(OC(=O)C1(CCCC1)C1C=CC=CC=1)C2.[Cl-]
MCULE-9148232132	0.84	C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-2049010013	0.84	C(=O)(C(C1=CC=CC=C1)C1C=CC=CC=1)OC1C(C)CN(C(C)C1)C
MCULE-1092339981	0.84	O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O
MCULE-3029278491	0.84	[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1
MCULE-5882494450	0.84	Cl.N1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-2402958729	0.84	O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O
MCULE-1606329466	0.84	C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-2373510647	0.84	[C@@H]12O[C@@H]1[C@@H]1N[C@H]2C[C@H](OC(=O)C(CO)C2C=CC=CC=2)C1
MCULE-8330180428	0.84	[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C1(CCCC1)C1=CC=CC=C1)C2
MCULE-2978710107	0.84	O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O
MolPort-035-705-706	0.84	COc1cc(O)c-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1
MolPort-035-705-706	0.84	COc1cc(O)c-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1
MCULE-2222459616	0.83	C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC.[Br-]
MCULE-8770434436	0.83	[Br-].C12C3CC(CC([NH+]3C)C1O2)([H])OC(=O)C(CO)C1C=CC=CC=1
MCULE-1715946528	0.83	O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O.Br
MCULE-4842611277	0.83	C[N+]1([C@@H]2[C@H]3[C@@H]([C@H]1C[C@@H](OC([C@@H](C1C=CC=CC=1)CO)=O)C2)O3)C.[Br-]
MCULE-8278287343	0.83	Cl.[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1
MCULE-5968512851	0.83	C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1.[Br-]
MCULE-9784859575	0.83	O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-]
MCULE-1099479602	0.83	Cl.C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-8145936025	0.83	[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1.Br
MCULE-7614327332	0.83	CN1[C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21.Br
MCULE-4003028645	0.83	[Br-].C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
MCULE-9231292450	0.83	O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-]
MCULE-6494232456	0.83	[N+]1(C)(CC#C)C2CC(CC1CC2O)OC(=O)C(CO)C1=CC=CC=C1.[Br-]
MCULE-2387598119	0.83	C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C.[Br-]
MolPort-035-705-705	0.83	COc1ccc-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC
MolPort-035-705-705	0.83	COc1ccc-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC
MCULE-3215620925	0.82	O=C(O[C@H]1C[C@H]2[N+]3(CCCC3)[C@H](CC2)C1)C(C1C=CC=CC=1)(O)C1C=CC=CC=1
MCULE-2452504801	0.82	OC(C1C=CC=CC=1)(C1C=CC=CC=1)C(OC1CC2[N+]3(CCCC3)C(CC2)C1)=O
MCULE-1682580895	0.82	C(O)(C(=O)OC1CC2CCC(N2C)C1)(C1C=CC=CC=1)C1C=CC=CC=1
MCULE-5018061191	0.82	[N+]12(CCCC1)[C@@]1([H])CC[C@]2([H])C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1C=CC=CC=1
MCULE-4794523994	0.82	O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N(C)[C@@](CC2)([H])C1
MCULE-8030016879	0.81	C1(CCCC1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H]
MCULE-7871271166	0.81	[Br-].[C@]12([H])[N+]3(CCCC3)[C@]([H])(CC1)C[C@H](OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C2
MCULE-3625043673	0.81	O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N[C@@](CC2)([H])C1
MCULE-5771847332	0.81	OC(C1C=CC=CC=1)(C1C=CC=CC=1)C(OC1CC2[N+]3(CCCC3)C(CC2)C1)=O.[Cl-]
MCULE-2320624094	0.81	NC(C1=CC=C(CC(OC2CC3CCCN3CC2)=O)C=C1)=O
MCULE-6156933118	0.81	[Cl-].O=C(O[C@H]1C[C@H]2[N+]3(CCCC3)[C@H](CC2)C1)C(C1C=CC=CC=1)(O)C1C=CC=CC=1
MCULE-4302231190	0.81	[Cl-].[N+]12(CCCC1)[C@@]1([H])CC[C@]2([H])C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1C=CC=CC=1
MCULE-3251835927	0.81	[Cl-].[NH+]1(C)C2CCC1CC(C2)OC(=O)C(O)(C1C=CC=CC=1)C1=CC=CC=C1
MolPort-027-717-823	0.81	Cl.COc1cc2CC3NCCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MolPort-001-728-088	0.81	COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MolPort-039-141-833	0.81	COc1cc-2c(C[C@@H]3NCCc4c(OC)c5OCOc5c-2c34)cc1O
MolPort-039-141-833	0.81	COc1cc-2c(C[C@@H]3NCCc4c(OC)c5OCOc5c-2c34)cc1O
MolPort-027-717-823	0.81	Cl.COc1cc2CC3NCCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MCULE-1892165530	0.80	N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC(=CC=1)OC)=O
MCULE-5392173631	0.80	Cl.O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N[C@@](CC2)([H])C1
MolPort-001-728-093	0.80	COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC
MolPort-000-699-064	0.80	[Cl-].COc1cc2CC3[NH+](C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MolPort-046-681-936	0.80	Cl.COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MolPort-046-681-936	0.80	Cl.COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34
MCULE-5876825477	0.79	C(O)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H]
MCULE-2114970741	0.79	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C
MCULE-3327540313	0.79	C(CC1=CC=CC=C1)(=O)OC1CCN(CC1)C
MolPort-039-338-426	0.79	COc1ccc2C[C@@H]3NCCc4c(OC)c5OCOc5c(c34)-c2c1OC
MolPort-000-725-509	0.79	[Cl-].[Cl-].COc1cc(CC2[NH+](C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4[NH+](C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC
MolPort-039-338-426	0.79	COc1ccc2C[C@@H]3NCCc4c(OC)c5OCOc5c(c34)-c2c1OC
MolPort-009-758-369	0.79	Cl.Cl.COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC
MCULE-6193007117	0.78	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C.[I-]
MCULE-5019226591	0.78	C1(CCCC1)(C1=CC=CC=C1)C(OCCCN1CCCC1)=O
MCULE-9272110397	0.78	C(=O)(C(C(C)CC)C1=CC=CC=C1)OC1CCN(CC1)C
MCULE-4025510661	0.78	Cl.C(CC1=CC=CC=C1)(=O)OC1CCN(CC1)C
MCULE-6452886670	0.78	C(O)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H].Cl
MCULE-8896614396	0.78	[N+]1(C)(C)CCC(CC1)OC(C(C(C)CC)C1C=CC=CC=1)=O
MCULE-6781845467	0.77	[N+]1(C)(C)CCC(CC1)OC(C(C(C)CC)C1C=CC=CC=1)=O.[Br-]
MCULE-7752584179	0.77	C1[C@H]2N(C)[C@@H](C[C@@H]1OC(=O)[C@](O)(C1C=CC=CC=1)CO)[C@H]1[C@@H]2O1
MCULE-1046214915	0.77	OC(CCC1CN(CCCOCCC2C=CC=CC=2)CCC1)=O
MolPort-000-840-202	0.77	Cl.Cl.COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4N(C)CCc5cc(OC)c(O)c(-c3cc2OC)c45)cc1OC
MolPort-009-758-638	0.77	Cl.Cl.COc1cc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(O)c(-c3cc2OC)c45)cc1OC
MCULE-9818528260	0.75	C(C(=O)OC1CC[N+](C)(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-6576887345	0.75	N1(C)C2CCC1CC([H])(OC([C@H](O)CC1C=CC=CC=1)=O)C2
MCULE-1139847113	0.75	COC(C12CN(CCCOCCC3=CC=CC=C3)CC1CCC2)=O
MCULE-9934039049	0.75	C1(CC2=CC=C(CC)C=C2)(OC(CC)=O)C(C)CN(C(C)C1)C
MCULE-4304056110	0.75	C(=O)(OC1CCN(CC1)C)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-9149390949	0.74	[H][C@@]12[N+](C)(CC3C=CC(OCCCC)=CC=3)[C@@]([H])(CC1)C[C@H](OC(=O)C(CO)C1C=CC=CC=1)C2.[Br-]
MCULE-5444435431	0.74	[H][C@@]12[N+](C)(CC3C=CC(OCCCC)=CC=3)[C@@]([H])(CC1)C[C@H](OC(=O)C(CO)C1C=CC=CC=1)C2
MCULE-7518102107	0.74	C1(O)(C(C)CN(C(C)C1)C)C(C1C=CC=CC=1)C(OC)=O
MCULE-5097215603	0.74	C(=O)(C(O)(C1CCCC1)C1=CC=CC=C1)OC1[C@@]2([H])CCC[C@]1([H])CN(C)C2
MCULE-7421953357	0.74	Cl.C(=O)(OC1CCN(CC1)C)C(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-3526099963	0.74	Cl.C1(CC2=CC=C(CC)C=C2)(OC(CC)=O)C(C)CN(C(C)C1)C
MCULE-8737632616	0.74	CCOC(C1CCN(CCCOCCC2=CC=CC=C2)CC1)=O
MCULE-9335765754	0.74	[I-].C(C(=O)OC1CC[N+](C)(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1
MCULE-7658396138	0.74	C1(CCCC1)(C1C=CC(=CC=1)Cl)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H]
MCULE-6504606476	0.74	[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C1(CCCC1)C1C=CC(Cl)=CC=1)C
MolPort-007-549-950	0.74	CN1CCc2cccc-3c2C1Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC(=O)c2ccc(C)cc2)c-31
MCULE-6929360900	0.73	OC(C1CCC(C(NCCCOCCC2=CC=CC=C2)=O)CC1)=O
MCULE-1242184754	0.73	OC(C1CCC(C(N2CCC(OCCC3=CC=CC=C3)CC2)=O)CC1)=O
MCULE-3864931227	0.73	[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C1(CCCC1)C1C=CC(Cl)=CC=1)C
MCULE-9334185410	0.73	OC(CCCCC(N1CCC(OCCC2C=CC=CC=2)CC1)=O)=O
MCULE-3240212406	0.73	N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)CC(C)C1=CC=CC=C1
MCULE-7735206668	0.73	OC(CCCCN1CCC(OCCC2=CC=CC=C2)CC1)=O
MCULE-1115142178	0.73	C(C1=CC=CC=C1)(C1CCCCN1)C(OCC)=O
MCULE-9800595458	0.73	N1(CCC2(CC1)CC(OC)CCO2)C(=O)CC1C=CC=CC=1
MCULE-1347890165	0.73	N1(CCC2(CC1)CC(OCC)CCO2)C(=O)CC1C=CC=CC=1
MCULE-3853429821	0.73	N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCC1C=CC=CC=1)=O
MolPort-009-653-421	0.73	Cl.COc1ccc2CN(C)CCc3ccccc3-c2c1O
MCULE-1857272759	0.72	C1C=C(C(C2C=CC=CC=2)C(=O)OC2CCN(CCO)CC2)C=CC=1
MCULE-9602198033	0.72	C12C3OC3C(N1C)CC(OC(C(=C)C1C=CC=CC=1)=O)C2
MCULE-4701259140	0.72	Cl.C(C1=CC=CC=C1)(C1CCCCN1)C(OCC)=O
MCULE-6640561365	0.72	C1(CC(C2=CC=CC=C2)C(O[C@@H]2C[C@H]3N([C@H](CC3)C2)C)=O)=CC=C(OC(C)=O)C=C1
MCULE-2807762108	0.72	C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](CC)(CC)CC)=O
MCULE-7258734145	0.72	[NH+]1(CCC2C=CC=CC=2)C2CCC1CC(OC(=O)CCCl)C2.[Cl-]
MCULE-1117346006	0.72	[NH+]1(CCC2C=CC=CC=2)C2CCC1CC(OC(=O)CCCl)C2
MCULE-8720425299	0.72	C(OCCCN(CC)CC)(C(C(C)CC)C1C=CC=CC=1)=O
MCULE-1259757331	0.72	OC(CCN1CCC(OCCC2=CC=CC=C2)CC1)=O
MCULE-4282119988	0.72	C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](C)(CC)CC)=O
MCULE-2114110327	0.72	C1(CCCC1)(C1C=CC=CC=1)C(OCCCN(CC)CC)=O
MCULE-9139356268	0.72	N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC(C)CC1C=CC=C(C)C=1)=O
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MolPort-020-205-440	0.63	COc1cc(ccc1O)-c1cccc2CNCCc12
MolPort-000-882-001	0.63	C1Oc2cc3CCN4Cc5c6OCOc6ccc5C[C@@H]4c3cc2O1
MolPort-046-153-801	0.63	COc1cc2[C@@H]3Cc4ccc5OCOc5c4CN3CCc2cc1O
MolPort-003-873-294	0.63	C1Oc2cc3CCN4Cc5c6OCOc6ccc5CC4c3cc2O1
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MolPort-000-700-360	0.63	Cl.[Cl-].COc1cc2CC(C)(C)[NH2+]C(CC=C)c2cc1OC
MolPort-044-605-144	0.63	Cl.COc1cc2CCNC3(CCC3)c2cc1OC
MolPort-039-339-180	0.63	COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC
MolPort-046-763-412	0.63	Cl.COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
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MolPort-020-214-280	0.63	COc1ccc(cc1OC)-c1cccc2CNCCc12
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MolPort-020-205-440	0.63	COc1cc(ccc1O)-c1cccc2CNCCc12
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