Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-7502565895	1	C1(=O)N2CC3C4([H])CCCCN4CC(C3)C2=CC=C1
MCULE-9781868195	0.99	N12C(=O)C=CC=C1[C@@]1([C@@]3([H])N(CCC[C@@]3([H])C2)CCC1)[H]
MCULE-9044377914	0.99	[C@]12([H])N3CCC[C@@]1([H])CN1C(=O)C=CC=C1[C@@]2([H])CCC3
MCULE-1329641240	0.99	C1[C@]2([H])CN3C(=O)C=CC=C3[C@@]3([H])CCCN([C@@]23[H])CC1
MolPort-019-937-432	0.99	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-019-937-432	0.99	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccccc2)c1O
MolPort-001-741-176	0.99	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O
MolPort-005-944-641	0.98	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)C(O)Cc2ccc(O)cc2)c1O
MCULE-8757258045	0.97	CN1CC2C3N(CC(C2)C1)C(=O)C=CC=3
MCULE-8752656620	0.97	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1CCCCC1
MCULE-9751273485	0.97	N12CC3CNCC(C3)C1=CC=CC2=O
MCULE-5725021959	0.97	N12CC3CC(CN(C4CCN(C)CC4)C3)C1=CC=CC2=O
MCULE-7548423194	0.97	N12C[C@]3([H])CNC[C@](C3)([H])C1=CC=CC2=O
MCULE-5698844930	0.97	C12=CC=CC(=O)N1C[C@]1([H])CNC[C@]2([H])C1
MCULE-7110369914	0.97	N12CC3CN(CC(C3)C1=CC=CC2=O)CCCN
MCULE-8043470117	0.97	C12=CC=CC(=O)N1C[C@]1([H])CN(C)C[C@@]2([H])C1
MCULE-7780581938	0.97	N12CC3CC(CN(C4CC5CC4CC5)C3)C1=CC=CC2=O
MCULE-4139380716	0.97	N12CC3CC(CN(C(C)C)C3)C1=CC=CC2=O
MCULE-8162097963	0.97	N12CC3CC(CN(C4CCN(CC4)CCC)C3)C1=CC=CC2=O
MCULE-8680446527	0.97	N12C[C@@H]3CNC[C@@H](C3)C1=CC=CC2=O
MCULE-5998998645	0.97	N12CC3CC(CN(C4C5CC6CC4CC(C6)C5)C3)C1=CC=CC2=O
MCULE-6115392491	0.97	N12CC3CC(CN(C4CCC(CC4)C(C)(C)C)C3)C1=CC=CC2=O
MCULE-5032084818	0.97	N12CC3CC(CN(C4CCC(CC4)C)C3)C1=CC=CC2=O
MCULE-4099961145	0.96	N12CC3CC(CN(C4CCC(CC4)C4C=CC=CC=4)C3)C1=CC=CC2=O
MCULE-9230665394	0.96	N12C(=CC=CC1=O)C1CC(CN(C1)CC(F)(F)F)C2
MCULE-7921525872	0.96	O=C1N2C([C@H]3CN(CC4C5C4CCCC5)C[C@@H](C2)C3)=CC=C1
MCULE-2743008519	0.96	N12CC3CC(CN(C4CCCC4)C3)C1=CC=CC2=O
MCULE-3840228165	0.95	Cl.N12C(=CC=CC1=O)C1CC(CN(C1)CC(F)(F)F)C2
MCULE-2375265426	0.95	Cl.N12CC3CC(CN(C4CCCC4)C3)C1=CC=CC2=O
MolPort-005-945-866	0.94	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc(C(=O)[C@H](O)Cc2ccc(O)c(O)c2)c1O
MCULE-9127999155	0.92	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC#N
MCULE-8933572892	0.92	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(C)C1C=CC=CC=1
MCULE-6217430917	0.92	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)=O
MCULE-3505133301	0.92	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)O
MCULE-6870705920	0.92	N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CCCC#N
MCULE-2638322463	0.92	N12CC3CN(CC(C3)C1=CC=CC2=O)CCCC1=CC=CC=C1
MCULE-1747829857	0.92	C1(=O)N2CC3CN(CCO)CC(C2=CC=C1)C3
MCULE-6725518467	0.91	N12CC3CC(CN(C4CC5=C(C=CC=C5)C4)C3)C1=CC=CC2=O
MCULE-8884014186	0.91	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C1C=CC=CC=1)C1=CC=CC=C1
MCULE-3613472396	0.91	N12CC3CC(CN(C4CCN(CC4)C(C)=O)C3)C1=CC=CC2=O
MolPort-001-741-529	0.91	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-1429454707	0.90	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(C)CC/C=C(\C)/C
MCULE-3450499159	0.89	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(C)CC/C=C(\C)/C
MCULE-4532351867	0.89	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1
MCULE-8539170830	0.88	N12CC3CC(CN(C(=O)C(F)(F)F)C3)C1=CC=CC2=O
MCULE-4770522925	0.88	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC2C=CC=CC1=2
MCULE-9477308888	0.88	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(O)=O
MCULE-8308545787	0.88	N12CC3CC(CN(C(CCC(=O)NCC4CCCN5CCCCC54)=O)C3)C1=CC=CC2=O
MCULE-7105168832	0.88	N12C[C@]3([H])C[C@@]([H])(CN(C(CCC)=O)C3)C1=CC=CC2=O
MCULE-3239160365	0.88	O=C1N2C([C@H]3CN(CCCC4NC=CN=4)C[C@@H](C2)C3)=CC=C1
MCULE-9346120261	0.88	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC2=C(C=CC=C2)C=1
MCULE-7131341561	0.88	N12CC3CN(CC(NC)=O)CC(C3)C1=CC=CC2=O
MCULE-9858904191	0.88	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C2C3C4C(=CC=CC=4C=C2)C=CC=31
MCULE-1206228989	0.87	Cl.N12CC3CN(CC(O)=O)CC(C3)C1=CC=CC2=O
MCULE-6201804549	0.87	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)CC
MCULE-2584772874	0.87	C(CCN1CC2CC(C1)CN1C(=O)C=CC=C12)N=C=S
MCULE-8240843106	0.87	N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)O
MCULE-9046829802	0.87	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)C
MCULE-7208373953	0.87	N12CC3CN(CC(NC)=O)CC(C3)C1=CC=CC2=O.Cl
MCULE-3962500448	0.87	N12CC3CC(CN(C(=O)CC4CC4)C3)C1=CC=CC2=O
MCULE-9495244707	0.87	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(O)=O
MCULE-7996316261	0.87	C1C=C2N(CC3CN(N)CC2C3)C(C=1)=O
MCULE-9462767929	0.87	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1C
MCULE-6959122222	0.87	N12C[C@]3([H])C[C@@]([H])(CN(C(CCCCCN4C=CC=C4)=O)C3)C1=CC=CC2=O
MCULE-6118166829	0.86	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(C)=C1
MCULE-2538282445	0.86	N12C[C@]3([H])C[C@@]([H])(CN(C(=O)CCN4C=CC=C4)C3)C1=CC=CC2=O
MCULE-3462198307	0.86	CC(C1C2CC(CC2)C1)NC(C(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)C)=O
MCULE-4006078166	0.86	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(CCl)O
MCULE-6078572330	0.86	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1C(F)(F)F
MCULE-4095524877	0.85	N12CC3CC(CN(C(=O)C=C)C3)C1=CC=CC2=O
MCULE-4224526290	0.85	N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CCC(OC)=O
MCULE-1451239512	0.85	N12CC3CC(CN(C(=O)C#C)C3)C1=CC=CC2=O
MCULE-7138450401	0.85	N12C[C@@H]3C[C@@H](CN(C(=O)C=C)C3)C1=CC=CC2=O
MCULE-2126062162	0.85	C=CC(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)=O
MCULE-7514243987	0.85	N12CC3CC(CN(C(CCC(NCCC4C=CC=CC=4)=O)=O)C3)C1=CC=CC2=O
MCULE-4198259483	0.85	N12C[C@]3([H])C[C@@]([H])(CN(C(=O)CC4(CCCCC4)N4C=CC=C4)C3)C1=CC=CC2=O
MCULE-9033803716	0.85	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC(OC)=O
MCULE-9613369117	0.85	N12CC3CC(CN(C(=O)CC4(CCCCC4)N4C=CC=C4)C3)C1=CC=CC2=O
MCULE-4548683291	0.85	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)N(=O)=O
MCULE-2156428034	0.85	C1(=O)N2CC3CN(C(=S)N)CC(C2=CC=C1)C3
MCULE-7884760120	0.85	N12C[C@@H]3CN(C[C@@H](C3)C1=CC=CC2=O)CCC(OC)=O
MCULE-1910763440	0.85	N12CC3CC(CN(C(N)=O)C3)C1=CC=CC2=O
MCULE-8342878891	0.84	C1C=C2N(C(=O)C=1)CC1CC2CN(C2=CC=C(C=O)C=C2)C1
MCULE-3749693226	0.84	N12C[C@H]3C[C@@H](CN(C(=O)C(Cl)(Cl)Cl)C3)C1=CC=CC2=O
MCULE-2160348844	0.84	N12C[C@]3([H])C[C@@]([H])(CN(C(NCCCCCCCCCCCC)=O)C3)C1=CC=CC2=O
MCULE-1256020629	0.84	N12CC3CC(CN(C(=S)NC4CCCCC4)C3)C1=CC=CC2=O
MCULE-2972198193	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)N(CC)CC
MCULE-3263484927	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)O
MCULE-1183303101	0.84	N12CC3CC(CN(C(=S)NC(C)C45CC6CC(CC(C6)C4)C5)C3)C1=CC=CC2=O
MCULE-9805152621	0.84	N12CC3CC(CN(C4CCOCC4)C3)C1=CC=CC2=O
MCULE-1960290212	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC(C)=CC=C1C
MCULE-3348958170	0.84	N12CC3CC(CN(C(NC)=S)C3)C1=CC=CC2=O
MCULE-2810200009	0.84	N12C[C@@H]3C[C@@H](CN(C(=O)C(CC)C4=CC=CC=C4)C3)C1=CC=CC2=O
MCULE-1527560697	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)F
MCULE-7857428456	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)N(C)C
MCULE-1828604263	0.84	O=C(N1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)CC1=CC2=C(C=CC=C2)C=C1
MCULE-5844141708	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1N(=O)=O
MCULE-6674638541	0.84	N12CC3CN(CC(C3)C1=CC=CC2=O)CCC1C(C)(C)CCCC=1C
MCULE-5121397685	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(O)=C1
MCULE-5242763904	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CN=C1
MCULE-3317634974	0.83	N12CC3([H])CNCC(C3)([H])C1=CC=C(Br)C2=O
MCULE-8671102271	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)Br
MCULE-1372259811	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=NC2C=CC=CC1=2
MCULE-7852666724	0.83	N12CC3CC(CN(C4CCOCC4)C3)C1=CC=CC2=O.Cl
MCULE-1078436036	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1O
MCULE-7431744059	0.83	O=C(C(C)(C)C)N1CC[C@@H](CC(=O)O)[C@H](C1)CCN1C[C@@H]2C3=CC=CC(N3C[C@@H](C2)C1)=O
MCULE-2534678100	0.83	N12CC3CC(CN(C(=O)CCN4C5=CC=CC=C5C=C4)C3)C1=CC=CC2=O
MCULE-6766683778	0.83	O=C(CC(C)(C)C)N1CC[C@@H](CC(=O)O)[C@H](C1)CCN1C[C@@H]2C3=CC=CC(N3C[C@@H](C2)C1)=O
MCULE-6455078698	0.83	N12CC3CC(CN(C(=O)NC(C)C)C3)C1=CC=CC2=O
MCULE-3537245528	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)C1=CC=CC=C1
MCULE-4146340860	0.83	N12CC3CC(CN(C(NCCCC)=S)C3)C1=CC=CC2=O
MCULE-3363438646	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)N=O
MCULE-5373578489	0.83	N12CC3CC(CN(C(NCC)=S)C3)C1=CC=CC2=O
MCULE-1555637632	0.83	N12CC3CC(CN(C(=S)NC4CC4)C3)C1=CC=CC2=O
MCULE-6847919802	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(=C1)N(=O)=O
MCULE-2477060293	0.83	CC1(C(CC(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)CC1O)C
MCULE-3347816361	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(F)=C1
MCULE-1997658359	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1Br
MCULE-7455602875	0.83	N12C[C@]3([H])C[C@@]([H])(CN(C(=O)N(C)C)C3)C1=CC=CC2=O
MCULE-5865454111	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1F
MCULE-2661953426	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=C(C=C1)Cl
MCULE-2786586898	0.83	CN1C(=O)C(C(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)(C)CC1
MCULE-8834587504	0.83	N12C[C@@H]3CN(C[C@H](C3)C1=CC=CC2=O)N=O
MCULE-9481071062	0.83	NS(CCCN1C[C@@H]2C3N(C[C@@H](C2)C1)C(=O)C=CC=3)(=O)=O
MCULE-9939058157	0.83	N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)N=O
MCULE-6369169129	0.83	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(OC)=O
MCULE-6002486696	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C(O)=CC=C2C=CC=CC=12
MCULE-9408107530	0.82	N12CC3CNCC(C3)C1=CC=C(N(=O)=O)C2=O
MCULE-5171885432	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(=O)C1C=CC(=CC=1)Cl
MCULE-2124875155	0.82	N12CC3CC(CN(C(NCCC4=CC=CC=C4)=S)C3)C1=CC=CC2=O
MCULE-8522137591	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)C1=CC=CC=C1.Cl
MCULE-8885467733	0.82	N12C[C@@]3([H])CN(C[C@@](C3)([H])C1=CC=CC2=O)CC(CSCCCCCCCC)O
MCULE-5610301747	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C2C=CC=CC=2C(=C2C=CC=CC=12)Cl
MCULE-9134970017	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C(=CC=CC=1F)F
MCULE-9283925972	0.82	ClC1=C(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)C(Cl)=CN=C1
MCULE-7387746275	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC(=O)C1C=CC(=CC=1)Br
MCULE-9852618029	0.82	COC([C@H]1C[C@@H](CN2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)CC1)=O
MCULE-2260394655	0.82	O[C@H]1[C@H](CC(N2C[C@@H]3C4N(C[C@@H](C3)C2)C(=O)C=CC=4)=O)CCC1
MCULE-4858066128	0.82	N12C[C@@H]3C[C@@H](CN(C(=O)CCC(C4=CC=CC=C4)=O)C3)C1=CC=CC2=O
MCULE-8486903627	0.82	N12CC3CC(CN(C4N=CC=CN=4)C3)C1=CC=CC2=O
MCULE-2709740428	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC=C1Cl
MCULE-1073677548	0.82	N12C[C@H]3C[C@@H](CN(C(=O)C(CC)NC(C)=O)C3)C1=CC=CC2=O
MCULE-9931207191	0.82	N12C[C@H]3C[C@@H](CN(C(=O)C(C(C)C)NC(C)=O)C3)C1=CC=CC2=O
MCULE-2436252148	0.82	N12CC3CC(CN(C(=O)CC(C4C=CC=CC=4)C4=CC=CC=C4)C3)C1=CC=CC2=O
MCULE-5503009903	0.82	N12C[C@H]3C[C@@H](CN(C(=O)C(CC(C)C)NC(C)=O)C3)C1=CC=CC2=O
MCULE-3221557253	0.82	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1=CC=CC(Br)=C1
MolPort-006-668-336	0.82	OC[C@H]1O[C@H]([C@H](OC(=O)c2ccc(O)cc2)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)c2ccc(O)cc2)c1O
MCULE-1656564952	0.81	N12CC3CC(CN(C(COC)=O)C3)C1=CC=CC2=O
MCULE-4510309635	0.81	N12CC3CC(CN(C(=O)C4CCCCC4C(O)=O)C3)C1=CC=CC2=O
MCULE-1360578270	0.81	N12CC3CN(CC(C3)C1=CC=CC2=O)CC1C=CC(=CC=1)NC(C)=O
MCULE-3861596392	0.81	N12CC3CC(CN(C(CCCC(O)=O)=O)C3)C1=CC=CC2=O
MCULE-4163100556	0.81	N12C[C@]3([H])C[C@@]([H])(CN(C(NCCC4C=CC=CC=4)=O)C3)C1=CC=CC2=O
MCULE-9852922694	0.81	C12CN(CC(=O)NC3=CC=C(N)C=C3)CC(C1)C1=CC=CC(=O)N1C2
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