product_smiles,product_name,score,fp,InChI_Key
C[Si](C)(C)CCOC[N]1C=CC2=C1N=CC=C2NC3=C(OC4=C3C=CC=C4)C(=O)C5=CC=CS5,7548BE4ED6D1F6B9_863FF9687B02C0BD_6041_UN,8.176508,00000000000000000000100000001010000010100000000000000000010000000100000010110100110101101000010111101100010001101001111011100110010011010110011011111111111111111111110,LBUSJVHGMJUGSX-UHFFFAOYSA-N
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C1(=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3)NC4=CC=CC5=C4CN(CCC)C5,9EB5469D64EB7FE1_7A7317C52F1F405B_6041_UN,6.759545,00000000000000000000100000000000000000000000000010000000010000100000000000010000100101100011000110001110011011011011001011101100111011010110001011111001010111111111110,DOHATRKTYQOBPF-UHFFFAOYSA-N
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COCC(C)OC1=CC(=CC=C1)NC3=C2CCOC2=CC=N3,0038234000D88F4B_DF98F3737AF5E67E_7022_UN,7.3352766,00000000000000000000000000000000000000100000000000000000010000000100000010000100000100100011010011100100010001000101001011000111000011010110001111110101110111111111110,JRCSXYUYOXYMNZ-UHFFFAOYSA-N
CN(CC1CNC1)CC2=NN=C(C=C2)NC(C3(OC)CCOCC3)C,778B794C75CD3FAA_F81EC14BD75A9926_6041_DP,6.7875204,00000000100100000000000000000000000000100000000000001000010000000110000000000101101001100111011100101000000011011001101011101011110111010110011101011101110111111111110,KJJIAOBERCLWAD-UHFFFAOYSA-N
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C1(=C(C=CC=C1)C2=N[NH]N=N2)NCCC3(CSC)CC3,D0FCB6F72D0D9D66_4728F6367F8D0802_6041_UN,7.1995416,00000000000000000000001000000000000000100000000000001000000000100110011000000101101100101001011010001000100010011001001011001100111101010110001010010011010110101111010,PEGBRHZTACXXAY-UHFFFAOYSA-N
CCCCC1=NC(=CC(=N1)C)N[C@@H]2[C@@H](N(C)C)CCC2,6F4D361949E91087_39BB6DD236A683C0_6041_UN,7.056003,00000000000000000000000000000000000000100000000000000000000000000100000000100101100001100011010010100000100010010011101011100000010001010100011000011111000110101111010,DAIVGNAQJQKHEF-KBPBESRZSA-N
COC1=NC2=C(C=C1)C=CC=C2NC3=C[N](CCN(C)C)N=C3,97CEFEBDADD55C16_8692D3414808C82F_6041_UN,7.4373274,00000000000000000000000000000000000000000000000000001000000000000100000000110001100101100001111010101100010000110101111011101111000001010110011101011101010111101111110,FQCRZBJWYJXEAF-UHFFFAOYSA-N
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C(C1=CC=N[N]1C2CCC2)=CC3=CC=C(CN(C)C)C=C3,FFED41B13B199CAF_B4418654FCD025B0_7019_UN,6.808692,00000000000100000000000000000000000000000000000000001000000000100100000000110000100101100000011010011000000000010001001011101100000001000100001010011110010110101111010,BTMNNKQIZDLTOE-UHFFFAOYSA-N
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COCC[N]1C=CC2=C1C=C(C=C2)NC(CSC)CC3=CC=CS3,8F843AA324E05072_1B24C535DE7693FF_6041_UN,7.296159,00000000000000000000000000000000000010000000000000000000000000000100000000010000110101101000010110001100110011010001101011100110000011010110001000011101010111101111110,UHTQGYWTHINCPN-UHFFFAOYSA-N
C2(=C1COCCC1=CC=C2)NC(C3=CC=C(SCCOC)C=C3)C,99B85B646A32E85E_3613A76BB94EB251_6041_UN,7.727808,00000000000000000000000000000000000000000000000000000000010100001000000000000000010000101011010001100100010001000001101000000110110011010110000011010101010111111111110,VLXYPKKLFRSNSI-UHFFFAOYSA-N
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CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NC3CC4(C3)CC4,40BD12AB61EFD487_2E608E75CFD4F69E_6041_UN,7.1143155,00000000000100000000001001000000000000100000000000000000000000100110000000110101100101100001010111101000111010011000100011100011110011010110011100011111110011101111110,QCINKFGUUDQDIE-UONOGXRCSA-N
CC(C)C(OCCN1CC2CCC(C1)O2)CC3=CC=CC=C3,9925824EBA192993_BB3A875A0A0FBCCA_6039_UN,7.506217,00000000000000000001000000000000000000000000000000000000010000000000000000110000000101100000000110101000010011010000101011100010110010000110000001011100110101111111110,DBBWLPQWFPJMJU-UHFFFAOYSA-N
COC1=C(N=CC(=C1)NC(C2=CC=C(SCCOC)C=C2)C)SC,E59A97EF2883187E_1FAD61EE594C0126_6041_UN,7.8552175,00000000000000000000000000000000000000000000000100000000000100001100000000000001010000101000010101100000000001000101101001000111000011010110011111010111110111111111110,MFXALSUSGOGNNO-UHFFFAOYSA-N
FC1=C(C2=C(C=C1)SC=C2)N[S](=O)(=O)CCC3=CC=CS3,E1221C3287D13750_4CD5C3A0A457F592_6043_UN,6.8884726,00000000000000000000000000000000110010000010000000010001001011000001010001000000010100011010001010000110111100011000011010001100001011111100000010011011010110110111110,DXNMHSRYEQSZCW-UHFFFAOYSA-N
CCC(C)C1=C[NH]C2=C1C=C(C=N2)NCC(OC)(C)COCC3=CC=CC=C3,A7DF162302BFA9AA_FFE86C92DD7BFE95_6041_UN,8.174943,00000000000000000000000000000000000000100000000000000000000000000110000010000101001100100011010111101100010011001011100011000110100111010110011001000101110111111111110,LSSSZNXVFRSZEA-UHFFFAOYSA-N
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C1(=CC(=CC=C1)[N]2C=CN=N2)NCCC3(CSC)CC3,4191AE50143BC24F_C3FC8A57193BE1DD_6041_UN,7.281623,00000000000000000000001000000000000000000000000000001000000000100110001000010101101100101001011010001000100010011001001011101100111001010110001000011001010110101111010,CRBWCVZZXIHETR-UHFFFAOYSA-N
OC(=O)C2=CC1=C(C=C(C=C1NCCCC(C)(C)C=C)F)[NH]2,5D98178B53E347E8_F76233577025A669_6041_UN,7.997822,00000000000000000000000000000000001000000010000000000110000000000110000000100000101100010010000110011100110110011001101001010100000101110101001000010101011111111111110,PYWLVIMVDMVFMT-UHFFFAOYSA-N
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