Upload test_data.csv with huggingface_hub

test_data.csv

@@ -0,0 +1,785 @@
+NR-AR,NR-AR-LBD,NR-AhR,NR-Aromatase,NR-ER,NR-ER-LBD,NR-PPAR-gamma,SR-ATAD5,SR-HSE,SR-MMP,SR-p53,mol_id,smiles,SR-ARE
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+,,,,,,,,0.0,,,TOX31401,CC[N+]1(CC)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,0.0
+,,,,,,,,0.0,,,TOX31405,O=C1CC2(CCCC2)CC(=O)N1,0.0
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+0.0,0.0,0.0,1.0,,,,1.0,1.0,0.0,1.0,TOX20980,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,1.0
+0.0,1.0,,1.0,1.0,,,,,1.0,1.0,TOX26658,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,
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+0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,TOX26120,O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,
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+1.0,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,TOX28158,C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,1.0
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+0.0,,0.0,,0.0,0.0,1.0,0.0,0.0,,0.0,TOX28152,CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,
+0.0,,,,0.0,,,,,1.0,1.0,TOX17186,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,
+0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,TOX28157,O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1,0.0
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+0.0,,1.0,,1.0,,,,,,,TOX3868,CC1(C)CNC(=NN=C(/C=C/c2ccc(C(F)(F)F)cc2)/C=C/c2ccc(C(F)(F)F)cc2)NC1,
+0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,TOX1354,C1=CCC([Ti+2]C2=CC=CC2)=C1,
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+0.0,0.0,,,,0.0,,1.0,0.0,1.0,,TOX22130,c1ccc([Hg]c2ccccc2)cc1,
+0.0,0.0,1.0,1.0,,0.0,,0.0,0.0,1.0,0.0,TOX22137,Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,1.0
+,,0.0,,1.0,0.0,1.0,,,,1.0,TOX26808,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312,
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+0.0,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,TOX26803,Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1,0.0
+0.0,0.0,1.0,,,,0.0,0.0,0.0,,1.0,TOX26804,COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,0.0
+1.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,,0.0,0.0,TOX26805,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C,
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+,,,,,,,,0.0,,,TOX3677,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,
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+1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,TOX3679,Clc1ccc2nsnc2c1NC1=NCCN1,0.0
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+0.0,,0.0,0.0,,,,,,,,TOX3181,CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,
+0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,TOX3180,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,1.0
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+,,,,,,,,0.0,,,TOX31467,CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21,0.0
+,,,,,,,,0.0,,,TOX31462,Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,
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+0.0,1.0,0.0,,,,,0.0,1.0,1.0,,TOX10777,Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,
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+,,,,,,,,0.0,,,TOX28570,C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21,0.0
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+,,,,,,,,0.0,,,TOX31624,Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,0.0
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