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LLM-fastAPI / test_cut.csv

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	cpd1SMILES,cpd2SMILES,constantSMILES,fromVarSMILES,toVarSMILES,Delta_Value,main_cls,minor_cls,value_type,target_name
	Cc1c(CCC(=O)NC(Cc2ccccc2)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4,Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4,[:1]C(=O)O.[:2]NC(=O)CCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4,[:1]C([:2])Cc1ccccc1,[:1]c1ccc([:2])cc1,"(0.5, 1.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C,Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C,[:1]C(=O)Nc1cccc(C(=O)O)c1.[:2]c1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O,[:1]CC[:2],[:1]C[:2],"(-1.0, -0.5]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1nc(Nc2cccc(-c3cccc(-c4nc5cc(CN6CC[C@@H](C(=O)O)C6)cc(C#N)c5o4)c3C)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1,Cc1nc(Nc2cccc(-c3cccc(-c4nc5cc(CN6CCC(C(=O)O)CC6)cc(C#N)c5o4)c3C)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1,[:1]C(=O)O.[:2]Cc1cc(C#N)c2oc(-c3cccc(-c4cccc(Nc5nc(C)nc6cc(CN7CC[C@](C)(O)C7)cnc56)c4C)c3C)nc2c1,[:1][C@@H]1CCN([:2])C1,[:1]C1CCN([:2])CC1,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,[:2]C(=O)O.[:1]CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O,[:1]C(=O)Nc1ccc([:2])cc1,[:1]C(=O)Nc1cccc([:2])c1,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,Cc1c(CCC(=O)Nc2ccccc2C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,[:2]C(=O)O.[:1]CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O,[:1]C(=O)Nc1cccc([:2])c1,[:1]C(=O)Nc1ccccc1[:2],"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(CCC(=O)Nc2ccc(CC(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,[:1]C(=O)O.[:2]NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O,[:1]Cc1ccc([:2])cc1,[:1]c1cccc([:2])c1,"(0.0, 0.5]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4,Cc1c(CC(=O)Nc2ccc(O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4,[:1]NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4,[:1]c1ccc(C(N)=O)cc1,[*:1]c1ccc(O)cc1,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1nc(Nc2cccc(-c3cccc(-c4nc5cc(CN6CCC(C(=O)O)CC6)cc(C#N)c5o4)c3C)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1,Cc1c(Nc2nc(CO)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(C(=O)O)CC4)cc(C#N)c3o2)c1C,[:1]Cc1nc(Nc2cccc(-c3cccc(-c4nc5cc(CN6CCC(C(=O)O)CC6)cc(C#N)c5o4)c3C)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1,[:1][H],[*:1]O,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(CCC(=O)Nc2ccccc2C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,[:2]C(=O)O.[:1]CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O,[:1]C(=O)Nc1ccccc1[:2],[:1]C(=O)Nc1cccc([:2])c1,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit
	Cc1c(Nc2nc(C(F)F)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@](C)(C(=O)O)C4)cc(C#N)c3o2)c1C,Cc1c(Nc2nc(C(F)F)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(C)(C(=O)O)CC4)cc(C#N)c3o2)c1C,[:2]C(=O)O.[:1]Cc1cc(C#N)c2oc(-c3cccc(-c4cccc(Nc5nc(C(F)F)nc6cc(CN7CC[C@@H](O)C7)cnc56)c4C)c3C)nc2c1,[:1]N1CC[C@]([:2])(C)C1,[:1]N1CCC([:2])(C)CC1,"(-0.5, 0.0]",activity,EC50,seq,Nuclear factor NF-kappa-B p105 subunit