Index SMILES Probability Label Compound_1 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_2 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)Sc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.97 1.0 Compound_3 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)Oc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_4 CCCCCCCCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CCCCCCCC 0.97 1.0 Compound_5 CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C 0.98 1.0 Compound_6 CC(COP(=O)(Oc1ccccc1)Oc1ccccc1)(COP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.96 1.0 Compound_7 CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC 0.98 1.0 Compound_8 CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.98 1.0 Compound_9 O=P(Oc1ccccc1)(Oc1ccccc1)OCCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.96 1.0 Compound_10 Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1cccc(c1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C 0.99 1.0 Compound_11 Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)Oc1cccc(c1)OP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)C 0.99 1.0 Compound_12 Cc1cc(cc(c1)C)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cccc(c1)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cc(C)cc(c1)C 0.99 1.0 Compound_13 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_14 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.98 1.0 Compound_15 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(n1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.94 1.0 Compound_16 CC(C(=O)O)CSP(=S)(OCC(C)C)OCC(C)C 0.24 0.0 Compound_17 ClCCOP(=O)(OCCCl)OCCCl 0.98 1.0 Compound_18 CC(COP(=O)(OCC(C)C)OCC(C)C)C 0.96 1.0 Compound_19 CCCCOP(=O)(OCCCC)OCCCC 0.98 1.0 Compound_20 CCCCCCCCCCCCCCCCCCP(=O)(OC)OC 0.98 1.0 Compound_21 BrCC(COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr)(CBr)CBr 0.99 1.0 Compound_22 ClCCOP(=O)(OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl)OCCCl 0.91 1.0 Compound_23 CCCCCCCCP(=O)(OCC(CCCC)CC)OCC(CCCC)CC 0.98 1.0 Compound_24 CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC 0.98 1.0 Compound_25 NP(=O)(Oc1ccccc1)Oc1ccccc1 0.75 1.0 Compound_26 CC(C1CCP(=O)(CC1)c1ccccc1)(C)C 0.5 0.0 Compound_27 Cc1ccccc1OP1(=O)OCc2c(O1)cccc2 0.84 1.0 Compound_28 CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC 0.96 1.0 Compound_29 CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_30 O=P(Oc1ccc(cc1)C(C)(C)C)(Oc1ccc(cc1)C(C)(C)C)Oc1ccccc1 0.98 1.0 Compound_31 CC(OC(=O)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(=O)OC(C)C)Oc1ccc(cc1)C(=O)OC(C)C)C 0.99 1.0 Compound_32 CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)C)Oc1ccc(cc1)C(C)C)C 0.99 1.0 Compound_33 CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C 0.98 1.0 Compound_34 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_35 S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_36 Cc1cc(cc(c1)C)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cc(C)cc(c1)C 0.99 1.0 Compound_37 Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C 0.99 1.0 Compound_38 Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C 0.99 1.0 Compound_39 CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.95 1.0 Compound_40 CC(CC(C)(C)C)CCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.98 1.0 Compound_41 CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC 0.98 1.0 Compound_42 CCCCC(COP(Oc1ccccc1)Oc1ccccc1)CC 0.97 1.0