Name	SMILES	Cluster_80
MolPort-044-984-592_3	OC(=O)[C@@H]1OCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OCC1c2c(cccc2)c2c1cccc2	22
MolPort-044-985-007_10	OC(=O)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1COC[C@H]1NC(=O)OCC1c2c(cccc2)c2c1cccc2	20
MolPort-044-566-107_1	O=C(NCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1n[nH]c(c1)c1cc2c(OCC2)cc1	14
MolPort-044-984-907_12	OC(=O)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1OCC[C@H]1NC(=O)OCC1c2c(cccc2)c2c1cccc2	0
MolPort-044-942-261_6	OC(=O)[C@H]1CN(CCO1)C(=O)[C@@H]1C[C@@H](NC(=O)OCC2c3c(cccc3)c3c2cccc3)C=C1	18
MolPort-044-975-789_3	OC(=O)Cn1cc(NC(=O)[C@@H]2OCC[C@H]2NC(=O)OCC2c3c(cccc3)c3c2cccc3)cn1	13
MolPort-044-991-489_12	OC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]1OCC[C@H]1NC(=O)OCC1c2c(cccc2)c2c1cccc2	0
MolPort-044-992-964_2	OC(=O)[C@H]1CN(CC21CC2)C(=O)C#CCNC(=O)OCC1c2c(cccc2)c2c1cccc2	5
MolPort-044-563-997_2	COc1c(cccc1)c1n[nH]c(c1)C(=O)NCCN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	17
MolPort-044-985-584_2	C[C@H]1CN(C[C@@H]1C(=O)O)C(=O)C#CCNC(=O)OCC1c2c(cccc2)c2c1cccc2	21
MolPort-044-992-964_1	OC(=O)[C@@H]1CN(CC21CC2)C(=O)C#CCNC(=O)OCC1c2c(cccc2)c2c1cccc2	5
MolPort-044-544-232_2	COc1nn2c(CCCC(=O)N3CCCC4=C[C@@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]34)nnc2cc1	16
MolPort-044-910-463_1	OC(=O)[C@]12CN(C[C@@H]1COCC2)C(=O)C#CCNC(=O)OCC1c2c(cccc2)c2c1cccc2	15
MolPort-044-543-441_14	O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]12	8
MolPort-044-985-309_2	OC(=O)[C@H]1[C@H]2C[C@@H]1N(C2)C(=O)C#CCNC(=O)OCC1c2c(cccc2)c2c1cccc2	19
MolPort-044-810-474_6	CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)cc2O1	4
MolPort-044-810-474_2	CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@H]4C[C@H](C3)[C@@H]3CCCC(=O)N3C4)cc2O1	4
MolPort-044-611-890_6	C[C@@H](NC(=O)NC[C@@H]1C[C@@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_1	C[C@H](NC(=O)NC[C@@H]1C[C@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_3	C[C@H](NC(=O)NC[C@H]1C[C@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_7	C[C@H](NC(=O)NC[C@H]1C[C@@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_2	C[C@@H](NC(=O)NC[C@@H]1C[C@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_8	C[C@@H](NC(=O)NC[C@H]1C[C@@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-611-890_4	C[C@@H](NC(=O)NC[C@H]1C[C@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-564-956_2	O=C(NCCN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1c2COc3ccccc3c2n[nH]1	11
MolPort-044-611-890_5	C[C@H](NC(=O)NC[C@@H]1C[C@@H](CO1)c1ccccc1)c1nnnn1c1ccccc1	1
MolPort-044-544-136_6	COc1c2C(=O)[C@@]3(Oc2c(Cl)c(OC)c1)[C@H](C)CC(=CC3=O)N[C@@H](Cc1ccccc1)C(=O)N	7
MolPort-044-959-262_3	OC(=O)[C@@H]1[C@@H]2C[C@H]1N(C2)C(=O)c1nonc1NC(=O)OCC1c2c(cccc2)c2c1cccc2	12
MolPort-045-096-602_4	N[C@H]1CC[C@H]2CN(C[C@H]12)C(=O)C1CCN(CC1)C(=O)c1cccc2ccccc12	9
MolPort-044-915-483_2	OC(=O)[C@H]1COCCN1C(=O)c1noc(NC(=O)OCC2c3c(cccc3)c3c2cccc3)c1	3
MolPort-044-566-273_8	[C@H]12CN(C[C@@H](C1)[C@H]1CCCC(=O)N1C2)C(=O)c1c([nH]nc1)c1cc2c(OCCO2)cc1	10
MolPort-044-939-996_1	OC(=O)[C@@H]1CN(CCO1)C(=O)C1(CCC1)NC(=O)OCC1c2c(cccc2)c2c1cccc2	6
MolPort-044-566-273_1	[C@@H]12CN(C[C@H](C1)[C@@H]1CCCC(=O)N1C2)C(=O)c1c([nH]nc1)c1cc2c(OCCO2)cc1	10
MolPort-044-566-273_5	[C@@H]12CN(C[C@H](C1)[C@H]1CCCC(=O)N1C2)C(=O)c1c([nH]nc1)c1cc2c(OCCO2)cc1	10
MolPort-045-089-868_6	Cc1c(nnn1c1cccc(c1)[N+](=O)[O-])C(=O)N[C@H]1[C@@H]2CCC[C@H]1C[C@H](N)C2	2
MolPort-045-089-868_3	Cc1c(nnn1c1cccc(c1)[N+](=O)[O-])C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@H](N)C2	2