diff --git "a/promiscuity_pxf_fxp_predictions_enamine_stock.csv" "b/promiscuity_pxf_fxp_predictions_enamine_stock.csv" new file mode 100644--- /dev/null +++ "b/promiscuity_pxf_fxp_predictions_enamine_stock.csv" @@ -0,0 +1,5681 @@ +catalog_id,smiles,promiscuity_fxp0_pxf0,promiscuity_fxp0_pxf1,promiscuity_fxp0_pxf2,promiscuity_fxp1_pxf0,promiscuity_fxp1_pxf1,promiscuity_fxp1_pxf2,promiscuity_fxp2_pxf0,promiscuity_fxp2_pxf1,promiscuity_fxp2_pxf2 +Z1898593365,C#CCCC1(CCO)N=N1,0.093462646,0.03220134,0.040033083,0.31692624,0.053606343,0.00844395,0.13446411,0.15103844,0.015228757 +Z2681245905,C#CCCC1(CCN)N=N1,0.03917438,0.0142998,0.031907305,0.24541317,0.017671352,0.004730901,0.08349093,0.13589121,0.005056569 +Z1889707950,C#CCCC1(CCC(=O)O)N=N1,0.14685972,0.05638062,0.071328215,0.47004905,0.108983286,0.015129449,0.31255868,0.33357194,0.026660684 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