diff --git "a/high_scores_41.csv" "b/high_scores_41.csv"
new file mode 100644--- /dev/null
+++ "b/high_scores_41.csv"
@@ -0,0 +1,6767 @@
+product_smiles,product_name,score,fp,InChI_Key
+C2(=C1C(CCNC1=CC=C2)=O)C3=CC4=C(C=C3)C=C(O)C=C4,75B30A3DE90C1C28_4E6D06262B6DE236_6004_UN,10.366489,00000000000000000000000000000000000000000000000000000000000000100000000000000000001000000001000001101100110000010100001001000101000110010101000111010001111011110111110,ALPRRSGKABUXPS-UHFFFAOYSA-N
+N(C1=C(C=CC2=C1OCO2)F)C(=O)C=CC3=C[NH]C=N3,ED703351D4D7548A_378353A91F8B5939_6038_UN,10.265923,00000000000000000000000000001000000000000010000000000000010000000100000010000101000100010001100111010100010101100100010011010100000101110100001010100011111011110111110,NYFSUSPYXCRZPK-UHFFFAOYSA-N
+N3CCC(CSC(=O)C1=CC2=C(C=C1)N=CC=C2)CC3,20739BBE10111852_7293BE2C9A4B16A3_6038_DP,10.225268,00000000000000000000000000000000000000000000000000000000000000000100000000000000011000101001000000101100110000010000001011000100110000000110001001010001011110100111110,UIISMAJAXYZQGM-UHFFFAOYSA-N
+N(C1CCOC2=C1C=C(C=C2)F)C(=O)C=CC3=C[NH]C=N3,C4BA6FB0CEBE7752_9263B553E03EBE12_6038_UN,10.117884,00000000000000000000000000000000000000000010000000000000010000000100000000000101000100010010100011110100110101110100011011000100000111100100001011010001111011110111110,OJAYOAANDOLNBF-UHFFFAOYSA-N
+N5([S](=O)(=O)C2=C1C=C[NH]C1=CC=C2)CCN(C3=CC4=C(C(=O)N3)C=CC=C4)CC5,F21F76BEFCAF1404_E7033563957D4614_7017_UN,10.095914,00000000000000000000000000000000110000100000000000010001001111101101000001010101010101101011101011101110011000111100011011101101111101011110001101111001011010110111110,KEYRYNBGGYFKKI-UHFFFAOYSA-N
+NC1=C(C(=CC(=C1)C3=C2[NH]C=CC2=CC=C3)[N](=O)=O)N,C1C4C3D55F160ABB_BC2E5FC770327FF9_6006_UN,10.021334,00000000000000000000000010000000000000000000000001000010100000110100001100000001100110000000001011000110010000000000000101101100001101010100001011001011000010110111110,VFHXQVNDMIQZKK-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[NH]C(=C2)NC3=C(C)C=CC=C3[N](=O)=O,99D5069C6A6B2E28_E4FBFD8892E784B7_6041_UN,9.98174,00000000000000000000000010000000000000100011000001000000100000010100001100000101000100010000001011000110010100000000000101101100001101110100001011001011000010111111110,XXADWKUVBGNZFQ-UHFFFAOYSA-N
+OC(=O)C1=C[NH]C2=C1C(=CC=C2)NC4=CC3=C(OCCNC3)C=C4,CFD1161A7EE46A57_3EDF80BA0F5F22FC_6041_DP,9.975609,00000000000000000001000000000000000000000000000000000100010000000100000000000000101100100001000111001100110001010100001011010100110111010111001011110001111011110111110,OSYFGZWLWTWQQC-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1C(=O)OCC2=CC3=C(C=C2)[NH]C=C3)C4,13DD0ECB928A7AB8_07469C8657632C50_6031_DP,9.960665,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100100001000010101100110001010000001011010110110100000110001011010001011111110111110,NMXYKLBWQWCYAN-UHFFFAOYSA-N
+C[C@@H]1CNC[C@H]1COC2=C(N)C=C(C(=C2)C(F)(F)F)F,679A3F67356B2116_79A6AEE1758E45D1_6035_UN,9.940482,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110110011000111001000001111001101100001000011110101110110001110000011110111101111110,HUPSWUCZFDOJLQ-SFYZADRCSA-N
+N(C1=CC2=C(C=C1)B(O)OC2)C(C4=C3[N](CCNC3)C=C4)=O,B15D9922852437DA_33C838E0510FCE35_6038_DP,9.915318,00000000000000000010000000000000000000000000100000000000010000000100010000000001101101100011100011101110110001110000011011101101111101010111001111111001011011110111110,WDDFWCCFQXCXFA-UHFFFAOYSA-N
+N4CCOC1=C(C=CC(=C1)OC(=O)C2=CC3=C(N=C2)CNC3)C4,722D859347759ECA_ECA18824FA926D02_6038_DP,9.91325,00000000000000000001000000000000000000000000000000000000010000000100000000000001101100100101000111101100110001010100001011010111110110000110001111110001111011110111110,PBZMIJLKXZNISG-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2)F)C(=O)C34CC5CC(C3)CC(C4)(C5)[N]6C=NC=N6,E5F7F7CF9366650B_68EB42611D743CE7_6038_UN,9.88214,00000000000000000000000000000000000000000010000000001000010000100110000000010101100100010010101011100100110101111100011011101100100011100100001011011001111011110111110,RNTKOEPWKHZBRJ-IFLKXGLMSA-N
+O=[N](=O)C2=C1C=NC=CC1=C(C=C2)NC3=CC4=C(C=C3)CCOB4O,4F74A0962BD0F80E_F75C23476CBD4099_6041_UN,9.87832,00000000000000000010000010000000000000000000100001000000110000010100011100000000100000000011001000100110010001000000001111101101001111010101101111111001010011110111110,LKXCOTXMMWUZBC-UHFFFAOYSA-N
+N5CCC1=C(C=CC=C1NC(=O)C4=CC3=C(C=C2OCCOC2=C3)[NH]4)C5,4882BFA07A31AE67_DE0FE47F4CE77C75_6038_DP,9.870997,00000000000000000000000000000000000000000000000000000010010000000100000010000001001100100011100111101100110001110100011011000100110111010110001011110001111011110111110,SWLUAHRFRXLYAK-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC4=CC3=C(C=C[N]3CC)C=C4,AE48CA04C2F576EE_EE16661A42C4A405_6026_UN,9.852162,00000000000000000000000000000000110000000000000000010001011111001101010001010000110101001000001010001110011001001110011011101100001011011110001011111001110111111111110,UXBCZSKNPBNYFL-UHFFFAOYSA-N
+BrC2=C1C=CN(C(C1=CN=C2)=O)CC3=CC4=C(C=C3)CNCC4,7DCAB1488867A26C_AD22E0BD95ACD9C6_6034_DP,9.842899,00000000000000000000000000000000000000000000001000000000000000000100000000010000101001110001100001101100110100110100011011100101110000100110001111011011011110100111110,ZOWNALWEOOFOOP-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=O)N(C=C2Br)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,FB12B2B0C61ED609_3864EE32C4121A30_6034_UN,9.83732,00000000000000000000000000000000000000000010001000000000000000100100000000010101101101110011110010101100010110100100010011100101110000100110001111001011011110101111110,PSCJZCVCLFFRRZ-XHDPSFHLSA-N
+FC1=CC2=C(C=C1)C(=O)N(C=C2I)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,BD4B19A086006400_262272BD7731F3F6_6034_UN,9.837291,00000000000000000000000000010000000000000010000000000000000000100100000000010101101101110011110010101100010110100100010011100101110000100110001111001011011110101111110,WMUDUDQBTTVFOB-XHDPSFHLSA-N
+O(CCOCC1CCNCC1)C2=C(C=C(C=C2Br)C#N)Br,728CDB1674F1BE8C_935076F21D4571B8_6035_UN,9.794797,00000000000000000000000000000000000000000100001000000000000000000000000010000000001000110001000000101000100101010100001001000011110010100110001111010011110101110111110,FFWCKLGLESAJLA-UHFFFAOYSA-N
+O(CCOCC1CCNCC1)C2=C(C=C(C=C2Cl)C#N)Br,96E1668D11EF286F_2BD89B44807753A1_6035_UN,9.794791,00000000000000000000000000000000000000000100001000000000000000000000000010000000001000110001000000101001100101010100001001000011110010100110001111010011110101110111110,UQGLOGGZMXQULA-UHFFFAOYSA-N
+O(CCOCC1CCNCC1)C2=C(C=C(C=C2F)C#N)Br,9B72412D519897B7_698389823628E900_6035_UN,9.794788,00000000000000000000000000000000000000000110001000000000000000000000000010000000001000110001000000101000100101010100001001000011110010100110001111010011110101110111110,GIQBXEVZAUXLKE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)SC=N2)NC4=C3OCCC3=CC=C4,C3ABB5959F5EF0D6_F251DC74CFD75719_6026_UN,9.793729,00000000000000000000000000000000110010000000000100010001011111001101010001000000010100001001001110000110011001001100011011001100001011011100001011111001110011110111110,VRADVBMUHUKTGR-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)N(C=C2)CCCCCN3CCNCC3,27DF1ED669D20988_099931798F80F777_6034_UN,9.782818,00000000000000000000000010000000000000000000000001000000100000010100001100010001001101100001001010101110110000010000001111101100111001010110001001011001010110110111110,AGPZMUQHXSAEFB-UHFFFAOYSA-N
+C[C@@H]2C[C@H](COC1=C(C=C(C(F)(F)F)C=C1Cl)Cl)CCN2,5CA536E321F9FB3C_B9F681A2DA4A85F8_6003_DP,9.779388,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010001000000101001101111011101101001000011110000100110000111010011110111101111110,CTHINLOWBNLDTP-RKDXNWHRSA-N
+O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=CC(=C(C(C)C)C=C3)C,5B80EF6115AC5C63_2D5717F7405902FB_6035_UN,9.761602,00000000000000000000000000000000000000000000000000000000010000100000000000100000001100100011000011101000000001000100001011000011110010000110010111010111110101111111110,OIODQKXNLFNSEM-PXNSSMCTSA-N
+C[C@@H]2CC[C@H](OC1=C(C=C(C(F)(F)F)C=C1Cl)Cl)CN2,D8256D3ADF67E45D_FE6847F5E8B22444_6003_DP,9.756645,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010011000100101001101100011101101001000011110010100100000111010011110011101111110,GNAJFRBBOZKNSP-APPZFPTMSA-N
+NCCC1=CC2=C(C=C1)N(C=C2)CC3=C(C=C(C=C3)N=[N]#N)F,AACC615A9D5098BB_BC85890D8091EEE4_6034_UN,9.752433,00000000000000000000000000000000000000000010000001001000000000000100001000010100001111010000001010001100110100010000001101101100001001110110001011011011010110100111010,KJEBVWLZPYHSFV-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)C2=CC3=C(C=C2)C=C(Cl)C=C3)[N](=O)=O)N,4303DF6563F32238_255D16FE3082A937_6004_UN,9.743672,00000000000000000000000010000000000000000000000001000000100000110000001100000001000010010000001001000111010100000000000100101100001001110000001011001011000010111111110,YZVHTEDPVWEHNZ-UHFFFAOYSA-N
+N3CC[C@@H](OC1=CC2=C(C=C1)N=C(Cl)C=C2Cl)[C@H](N)C3,B28CDAF7369458DC_88420259B8788DB3_6035_DP,9.718066,00000000000000000000000000000000000000000000000000000010000000000100000000000001001010110011000101101101110100010100001011000111110111100110001101010011110011100111110,BWOACKNGFNGWNG-DGCLKSJQSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)N4CC3=CC=CC(=C3C4)C#N,61D87E74CE2ED6E3_8FC206FF06C7C8ED_6026_UN,9.71392,00000000000000000000000000000000110000000100000000010001001111001101000001010000010100101000001010001110011000001000010011101100011000001110001011001001010010110111110,FZHPOTRKQYVWQH-UHFFFAOYSA-N
+NC2=C1N(C=CC1=CC=C2)CCNC3=C(N)C=C(C=C3)[N](=O)=O,538094AFF7C14163_690A839861BD04ED_6034_UN,9.713674,00000000000000000000000010000000000000000000000001000010100000010100001100010001101111000001001010001110110000010000001101101100001101010110001011011011010110110111110,OYQASILEMUEJCB-UHFFFAOYSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=CC(=C(C=C2)Br)N,57DB819011AED828_F60CC3E9051BB8AC_6035_UN,9.713126,00000000000000000000000000000000000000000000001000000000000000000010000000100000001110110011000011001000000111001101000001000011110101110110011110000111110111101111110,FJJIEIQBRSZJPJ-NEPJUHHUSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=CC(=C(C=C2)Cl)N,27148D9B1F6E2B3B_1DBFD959CB64647D_6035_UN,9.713117,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110110011000011001001000111001101000001000011110101110110011110000111110111101111110,NVDXRKBYOHXIPW-NEPJUHHUSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=CC(=C(C=C2)F)N,81A23383D651FCC6_2457C4753D6BC95D_6035_UN,9.713105,00000000000000000000000000000000000000000010000000000000000000000010000000100000001110110011000011001000000111001101000001000011110101110110011110000111110111101111110,HMIWKRLWCIAVGL-NEPJUHHUSA-N
+N2C[C@@H](COC1=CC(=CC(=C1N)N)Br)[C@@H](C2)C(F)(F)F,50A7D222FF9C4795_B75ADD6C6C4047BE_6035_DP,9.706984,00000000000000000000000000000000000000000010001000000010000000000000000000000001001110110011000111001000001101001100000001000011110101110110001110000011110111100111110,DOUSSIODHFQGGM-POYBYMJQSA-N
+CC1=C(C=C([N](=C1)=O)NC2=CC(=C(OCC)C=C2C)C)[N](=O)=O,B9A4A48F4799C0BF_A187705202376ADB_6041_UN,9.702402,00000000000001000000000010000000000000100000000001000000100000010100001100010100100000000000001100100010000011000110000101101111001001010100111111101111110111111111110,KQGGGKDQNCBWME-UHFFFAOYSA-N
+CCNCC1=CC2=C(C=C1)N(C=C2)C3=CN(C)C(=CC3=O)CN,CFC3230701263529_2689DEAF75ABD80F_6034_UN,9.701023,00000000000000000000000000000000000000000000000000000000000000100100000000010001001111100000010111101100010000010110100011100101000101010110001111001111111110101111110,BIHVVKOQJPSCDD-UHFFFAOYSA-N
+N1C[C@H](C[C@@H]1C(=O)OCC2=CC3=C(C=C2)C=CC(=C3)CC#N)N,D577B30EFAE6906F_61CF9D6B727F2E33_6031_DP,9.696147,00000000000000000000000000000000000000000100000000000110000000000000000000000001101110000011000110001100110001010000000001010110110101000110001001000001011111110111110,PVDMCBGRUCKMTJ-DLBZAZTESA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC4=C[NH]C5=C4C=CC=C5,80F437523E5DED55_20BF544A2D0B3C55_6034_UN,9.695285,00000000000000000000000000000000000000000000000000000000000000000100000000010000101101110011000010101101110100010000001011100100110100100110001011011001010110100111010,QQROMYGPJUECSV-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC4=C[NH]C5=C4C=CC=C5,2415A34CD370A6BD_D3A001FECB5815DB_6034_UN,9.695278,00000000000000000000000000000000000000000000001000000000000000000100000000010000101101110011000010101100110100010000001011100100110100100110001011011001010110100111010,MEXKQYZUMYCZHD-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)CCC4=C[NH]C5=C4C=CC=C5,C5FF3A6C14CC902E_3D1F5B2937CBC47D_6034_UN,9.695275,00000000000000000000000000000000000000000010000000000000000000000100000000010000101101110011000010101100110100010000001011100100110100100110001011011001010110100111010,MWWPGZJHIPOIBP-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)COC2=O)NC3=CC4=C(C=C3)C=NC=C4F,95B89991EB861BC6_F4C575FFE0AE343D_6041_UN,9.692351,00000000000000000000000000000000000000000010000000000000010000000100000000000000000100010000000010100100010101000000000011010101000001110100001111000001011011110111110,JZBCTKUYSQUERW-UHFFFAOYSA-N
+O=[N]1=CC(=CC(=C1)F)NC2=CN=CC(=C2)N3CCNCC3,D3999DB1084EA555_CDED678436E8C392_6041_DP,9.690709,00000000000001000000000010000000000000000010000001000000000000100100000100010001101001110001001001101010100100010100001011101101110101110110001101011001010010100111110,DTNRAOKFEPNKIC-UHFFFAOYSA-N
+N3CCC1(CCC1)C(C=CC2=C(O)C(=C(C=C2)Cl)I)C3,9FD56E77398E17CE_E90457D9425A6426_7019_DP,9.6883,00000000000100000000000000010000000000000000000000000000000000000010000000000000001000110001000000111001110100011100001001000001110100100111000111010011110001100111110,RHEGHSVYFNHGRI-UHFFFAOYSA-N
+N3CCC1(CCC1)C(C=CC2=C(O)C(=C(C=C2)F)F)C3,C1B5639674C75FFC_912B96CFBCD04212_7019_DP,9.6883,00000000000100000000000000000000000000000010000000000000000000000010000000000000001000110001000000111000110100011100001001000001110100100111000111010011110001100111110,DCJLGKOJIQBYKY-UHFFFAOYSA-N
+NC1=NC(=C[N]1C[C@@]23[C@@](C2)(CNC3)C(F)(F)F)C4=CC=CC=C4,ECD561033CC6E675_C1C9AF703528684E_6034_DP,9.688017,00000000000000000000001001000000000000000010000000000000000000100110000000010101101111100011000010101000011100001000000011100100110101110110001011001011010110100111010,KIKCYUOQRNTMTC-HUUCEWRRSA-N
+CC(C)[C@H]1[C@H](CCN1)OC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,DFC28B04765817F1_3333D178A66DA6A9_6035_UN,9.683988,00000000000000000000000000000000000000000000000000000000000000100000000000100000001100100011000111101000100010010101101011000011110110000110011101010111110011101111110,RCPVJZZGLNBYPL-FCLVOEFKSA-N
+CN(C)[C@@H]1C[C@@H](C1)OC2=CC3=C(C=C2)C4=C([NH]3)N=CC=C4,E587BB09223A3B07_C13E19F56E54538E_6035_UN,9.674567,00000000000100000000000000000000000000100000000000000000000000000100000000100100000101100000010011100100010000010100100011100111000011000100001101001101100011101111110,VTCBMJLSBADSNE-BJHJDKERSA-N
+CN(C)[C@@H]1C[C@H](C1)OC2=CC3=C(C=C2)C4=C([NH]3)N=CC=C4,FB9679E8B8E4D7A7_AD5F2F9FB2594745_6035_UN,9.674566,00000000000100000000000000000000000000100000000000000000000000000100000000100100000101100000010011100100010000010100100011100111000011000100001101001101100011101111110,VTCBMJLSBADSNE-AULYBMBSSA-N
+N#CC1=CC2=C(C=C1)N(CC2)[S](C3=CC(=CC4=C3[NH]C=C4)Cl)(=O)=O,FE42849B88691206_2687270206A3549A_6029_UN,9.671979,00000000000000000000000000000000110000000100000000010001001111001101000001010000110100011000001011001111011100011000011011101100001000111100001011011001010010110111110,VVMVFQRKOATSEI-UHFFFAOYSA-N
+CC(C)(COC1=CC(=C(C(=C1C)C)C#N)C)C2CCNCC2,0D6E4235B90A66F5_536BE02B1C1CA9C8_6035_UN,9.666736,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100001000000101000100011011101101001000011110000000110011111010111110101101111110,AJKYIHYVLNWOOG-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)ON=C2)NC4=CC3=C(CNC3)C=C4,A469F80FE48058E9_5F5DFCFC67F904C0_6026_DP,9.663836,00000000000000000000000000000000110000000000000000010001011111001101010101000000011100101001001011001110011000001000010011001100011101011110001011101001110010110111110,GFLHDFGPYXTFTP-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C=C2)CCCN4C(=O)NC3=C(C=CC=C3)C4=O,DE9F7E06931E569D_2138C42986026994_6034_UN,9.661835,00000000000000000000000000000000000001000000000000000000000000000100000000010100100111000111100011101100011000110100011011100101000101011110001111011011011110110111110,FRNBGTLCMHNJPG-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2)CCC3=C(C=C(CN)C=C3)C4,18A46A0C1565FB2F_395D8DAA68560867_7017_UN,9.659756,00000000000000000000000000000000110000000000000000010001001111001101000001010000011010101000101000101110011000111100011011101101111100001110001111111001011110110111110,DCHDFNQORRVIEO-UHFFFAOYSA-N
+C[C@H]1C[C@H](NCC1)COC2=C(N)C=C(C(=C2)C(F)(F)F)F,C63DDD4B6B086B77_35724CF6F37B4778_6035_UN,9.658733,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010010001000100101000101111011101101001000011110101110110001111010011110111101111110,MQUODNQOLMXSNY-BDAKNGLRSA-N
+ClC1=CC2=C(C=C1)N(C=C2I)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,2338C34A96ADA9FD_780A9A5A34DAFD73_6034_UN,9.656854,00000000000000000000000000010000000000000000000000000000000000100100000000010101101101110011010010001101010110000000000011100100110000100110001010001011010110101111010,BWSYRLUQAUGVBH-SMDDNHRTSA-N
+BrC1=CC2=C(C=C1)N(C=C2I)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,7619C9C945035516_F91C43783D35A777_6034_UN,9.656851,00000000000000000000000000010000000000000000001000000000000000100100000000010101101101110011010010001100010110000000000011100100110000100110001010001011010110101111010,LFSJPGJVKDBASX-SMDDNHRTSA-N
+FC1=CC2=C(C=C1)N(C=C2Br)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,1C67C88A84EA84BC_1FB22383AE6B45BE_6034_UN,9.656839,00000000000000000000000000000000000000000010001000000000000000100100000000010101101101110011010010001100010110000000000011100100110000100110001010001011010110101111010,MLCDHHVUYLCRFS-SMDDNHRTSA-N
+CC1CCNCC1COC2=C(C=C(C)C=C2Br)CC=C,6B7A7D98A61B2334_46E13D9C4EA0A8B1_6035_UN,9.654308,00000000000000000000000000000000001000000000001000000000000000000000000000000000001000110011000001111000100111010101101001000011110000100110000111010111110101101111110,BBNYGZXAAGQRGM-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C(=C2)I)C[C@@H]3CNC[C@H]3C4=CN=C[N]4C,F0DF986A940AE40B_822B158F52F5637B_6034_UN,9.652851,00000000000000000000000000010000000000000010000000000000000000100100000000010101101101110011010010001100010110000000000011100100110000100110001010001011010110101111010,XMTFIUOQKCICGS-GXTWGEPZSA-N
+O([C@H](CBr)C1=C(C=CC=C1)Cl)C2=NC3=C(C=C2)CNC3,FDF10665EDB2A385_48EE7E025E02E84F_6035_UN,9.649924,00000000000000000000000000000000000000000000001000000000000000000100000000000001101100110001100010101101010100110100010011000111010010100110001111000011110111100111110,JPZPCVLUIUTNBD-CQSZACIVSA-N
+O([C@H](CF)C1=C(C=CC=C1)F)C2=NC3=C(C=C2)CNC3,6C506EBD11FBEBFC_6FAA52D2287D630D_6035_UN,9.649924,00000000000000000000000000000000000000000010000000000000000000000100000000000001101100110001100010101100010100110100010011000111010010100110001111000011110111100111110,HWGWCMGOEPTSOH-CQSZACIVSA-N
+N4CCC1=C(C=CC=C1OC(=O)C2=NC3=C(C=C2)[NH]C=C3)C4,AFF1A822F9329219_D5466474C22FB642_6038_DP,9.64563,00000000000000000000000000000000000000000000000000000000000000000100000000000001101100100001000110101100110000010100001011010111110100000110001111010001111011110111110,XFOOOGKCKOCJKH-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)OCO2)NC4=CC3=C(C=C[N]3CC)C=C4,927EAC61227D8F0D_0C6C683142526B92_6026_UN,9.6389475,00000000000000000000000000001000110000000000000000010001011111001101010011010000110101001000001010001110011001001110010011111100001001011110101011101001110111111111110,YECWKWJTQWFOKH-UHFFFAOYSA-N
+F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)NC3=CC4=C(C=C3)COC4,C42848B861811716_EE1442F884EE1CDB_6041_UN,9.637523,00000000000000000000000000000001000000000010000000010001011111001101000001000000010100101001000011100110011101001000000011001100011001111110001011101001010011110111110,HJLMRVIGONNZLR-UHFFFAOYSA-N
+C[C@@H]2C[C@H](COC1=CC=C(F)C=C1C(F)(F)F)CCN2,8B57D123C18B91D2_DA34030917B8A36C_6003_DP,9.636532,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010001000000101000101111011101101001000011110000100110000111010011110111101111110,JWSCPMLBNFTTSK-NXEZZACHSA-N
+FC2=C(C=C1NC(NC1=C2)=O)NC3=CC5=C(C=C3)OC4(CCC4)CC5,B257310AE3EE12A0_DEF0F124DF7CC9DC_6041_UN,9.632381,00000000000100000000000000000000000001000011000000000110010000000110000000000101100100010001000010100100011100101100011011000101110111110100001111010011101011110111110,XVFFMIRLSXRTNH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2)NC3=CC=CC4=C3C=C[N]4CC(O)=O,4CE45CE4C71BCCD3_347ADAAC3C24DB46_6041_DP,9.631871,00000000000000000000000000000000000000000000000000000000000000000100000000010000100101000000000110001100110000000000000011110100000111010101001001001001011111110111110,BIFDSXNXTHJWBA-UHFFFAOYSA-N
+N3CCC(CSC(=O)C2=C1C=CN=CC1=CC(=C2)F)CC3,203E5B4C60BD58E4_D4BE95A0B477EBB9_6038_DP,9.624875,00000000000000000000000000000000000000000010000000000000000000000100000000000000011000111001000000101100110100010000001011000100110000100110001001010001011100100111110,ZXQISSUYAXXWJS-UHFFFAOYSA-N
+N3CCCC(CSC(=O)[C@H]1NCCC2=C1C=CC=C2)C3,179E90EBE24084EF_58F0AE73E7FEE03A_6038_DP,9.623996,00000000000000000000000000000000000000000000000000000000000000000000000000000000011000101011000100101100110000010000001011000000110100000110001011010001011110100111110,RAKORJPOJZAMPJ-CVRLYYSRSA-N
+NC1=CC2=C(C=C1)C(=O)N(C=C2)CC3=C(C=CC=N3)C(F)(F)F,15CF7EF5285D7F13_1B8FE09B6278C4CB_6034_UN,9.623474,00000000000000000000000000000000000000000010000000000000000000000100000000010001000011000000100000101100011100111100010011100101000001110100001111001011011110100111110,HWDIOEQZZFSJEI-UHFFFAOYSA-N
+O(CC1C(CNCC1)(F)F)C2=C(C=C(C=C2Cl)C#N)Br,6204C227B9E55C0D_73F29C82776FE25C_6035_UN,9.621208,00000000000000000000000000000000000000000110001000000000000000000000000000000000001000110001000000101001100101011100001001000011110000100110001111010011110101100111110,KVDTWDLUGLGSCZ-UHFFFAOYSA-N
+O(CC1C(CNCC1)(F)F)C2=C(C=C(C=C2Br)C#N)Br,4941C558BCFCE239_CB7A7134EA5DC045_6035_UN,9.6212015,00000000000000000000000000000000000000000110001000000000000000000000000000000000001000110001000000101000100101011100001001000011110000100110001111010011110101100111110,UBUSXLHAHFTJSD-UHFFFAOYSA-N
+O(CC1C(CNCC1)(F)F)C2=C(C=C(C=C2F)C#N)Br,E053BC97433DBD82_31A98E44C13058FD_6035_UN,9.621195,00000000000000000000000000000000000000000110001000000000000000000000000000000000001000110001000000101000100101011100001001000011110000100110001111010011110101100111110,BAFAYJUSVFVFRE-UHFFFAOYSA-N
+CC1=CN(C2=C1C=C(C=C2)[N](=O)=O)CC3=CC(=C(C=C3)Cl)N,CD2C5CD0BCD388F3_00DB83C3DF7A6DCB_6034_UN,9.614664,00000000000000000000000010000000000000000000000001000000100000010100001100010000000111010001001010001111010110000000000101101100001001110100001011001011010110111111110,OUDUYZKCNGZZIA-UHFFFAOYSA-N
+CC1=CN(C2=C1C=C(C=C2)[N](=O)=O)CC3=CC(=C(C=C3)Br)N,D2CAA462237A3203_5178DC551BC9D29B_6034_UN,9.614662,00000000000000000000000010000000000000000000001001000000100000010100001100010000000111010001001010001110010110000000000101101100001001110100001011001011010110111111110,PGPYMGATULMGQI-UHFFFAOYSA-N
+C2(=C1NC(NC1=CN=C2)=O)NC4=CC3=C(CCN3C(N)=O)C=C4,54FDBABF1C8120D4_7A5AEE87C5455301_6041_UN,9.613521,00000000000000000000000000000000000001000001000000000110000000000100000000010101100111000011000010101100011000110100011011100101000101011100001111011001011010110111110,JZKFNICJALMQRO-UHFFFAOYSA-N
+S(CCC1=C[NH]C2=C1C=CC=C2)C(C4=CC3=C(CCNC3)C=C4)=O,E269B6D446FB4106_46E52614F4742F4A_6038_DP,9.608637,00000000000000000000000000000000000000000000000000000000000000000100000000000000011100101011000010101100110000010000001011000100110100000110001011010001011110100111110,JPQHXEYLWLFIHJ-UHFFFAOYSA-N
+N4CCC1=C(C=CC(=C1)OC(=O)C3=NC=C2OCCCC2=C3)C4,24F8ACC30043D64E_B90F771BE6A264CE_6038_DP,9.606299,00000000000000000000000000000000000000000000000000000000010000000100000000000000001000100001000100101100110001010100001011010111110010000110001111110001111011110111110,XDJRSDBBCRNNBX-UHFFFAOYSA-N
+O=[N](=O)C1=CC4=C(C(=C1)NCCCC2=CC3=C(C=C2)OCCO3)C=N[NH]4,5C7741C71D14992F_F99FB990A6B40FA6_6041_UN,9.604962,00000000000000000000000010000000000000000000000001001100110000010100011110000000101100000010001010101110110001010100001111101100001111010110101011111001110111110111110,AEZSURBUENCTOK-UHFFFAOYSA-N
+N3CCC(=CCOC(=O)C1=CC2=C(C=C1)[NH]C=C2C#N)CC3,9232314CD251D942_2DC4DFE3796BC403_6038_DP,9.60376,00000000000000000000000000000000000000000100000000100000000000000100000000001000101100100001000010111100110001010000001011010110110100000110001001010001011111110111110,UXCOPEVPKWJYDZ-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)CCC2)NC3=CC(=C(C=C3F)[N](=O)=O)C,0460EFA14855EDB2_50FBC2666CBA968C_6041_UN,9.602135,00000000000000000000000010000000000000100010000001000000100000010100001100000100000000010001001010100110010100010000001101101100011001110100001011011011000010111111110,CRJVPRVIBQDZLB-UHFFFAOYSA-N
+ClC1=NC=C(C(=C1)Cl)C=CC3=CC(=C2OCOC2=C3)C4CC4,676223A4DBE390A3_E2844E648A83D39A_7019_UN,9.597649,00000000000000000000001000001000000000000000000000000000010000100100000010000000000100010000000010110101010101000100000011010100000000100100000011010010110011010111110,YFZBMUZQYTVKEG-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)[NH]C3=C2CNCC3)CC[N]4C=CC=N4,3B37D8C2D2B311F2_59EE6A259873F8E3_6031_UN,9.593928,00000000000000000000000000000000000000000000000000001100000000000100000000010000101100100011001111101100110001010000001011111110110110000110001011011001011111110111110,LJQZNEXIARUPFY-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)C#N)Cl)OCC2(CCNC2)C(F)(F)F,00F18723281FD3C0_0A96123DAF382093_7022_DP,9.59354,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100110011000011001001101101011100001001000011110000100110001110010011110101100111110,JZIKJDNNARPSCF-UHFFFAOYSA-N
+N4CC(CCNC(=O)C3=CC2=C(C=C1OCCOC1=C2)[NH]3)C4,43181CBA6D665730_0A85C59E385D2618_6038_DP,9.589907,00000000100100000000000000000000000000000000000000000010010000000100000010000001001100100011100111101100110001110100011011000100110110000110001011110001111111110111110,XCZALORLMLABCP-UHFFFAOYSA-N
+N4CCC1=C(C=C(C=C1)OC(CC2=CC=CC3=C2CCNC3)=O)C4,256452518DA38CFE_6EEBD2C9DF2DBA40_6038_DP,9.587896,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001000000101100110000010100001011010111110110000110001111010001111101110111110,AUCTWSSOCIHKJG-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC3(CNC3)C4=NC=CC=C4,A169047B9BDBEAC4_F1444C97F15B8972_7022_DP,9.582616,00000000100100000000000000001000000000000010000000000010010000100110000010000001101100110011000011101100110101011100000011010100000101110110001011000011110011110111110,ZRAUOHFDLZARSO-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)OC[C@H]2C[C@@H](C)NCC2,71B3D59F050E73F5_A8DA34EDE10B5DD2_7022_DP,9.581317,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010101000000101001101111011101101001000011110000100110000111010011110111111111110,MHGMEZXGOMKWRH-NXEZZACHSA-N
+O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)CC4=CC3=C(C=C[NH]3)C=C4,58AA7A86E05658B1_2B27F3F7AA12831E_6039_DP,9.5748415,00000000000000000000000010000000000000000000000001001000100000010100011100000000100100000001001011000110010001000100000111101111001101010100001101101001110111110111110,FMFOBTFQDMDOPG-UHFFFAOYSA-N
+CNC1=CC2=C(C=C1)N(C=C2)CC3=CC(=CC(=C3)F)[N](=O)=O,652510077A5EE3C0_1777C7C5FCF111C0_6034_UN,9.567041,00000000000000000000000010000000000000000010000001000000100000010100001100010000000101010000011010001110010100000000000101101100001001110100001001001001010110111111110,CVFLGQSWRRZAEO-UHFFFAOYSA-N
+CNC1=CC2=C(C=C1)N(C=C2)CC3=CC(=CC(=C3)I)[N](=O)=O,DC1B6FA70632E90F_49D9F2B8F4F42E6B_6034_UN,9.567037,00000000000000000000000010010000000000000000000001000000100000010100001100010000000101010000011010001110010100000000000101101100001001110100001001001001010110111111110,YBPREKGZRPHFEV-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N[C@@H]([C@@H]3CC=C[C@H]23)C(=O)OCC4NCCNC4,61054E59EBA32F70_F7DE7FFFE348045C_6031_DP,9.565959,00000000000000000000000000000000000000000000000000000010000000000000000000000001001000100011000111111100110001010000001011010010110100010110001011010001011111111111110,HTIWBNRDHPYMPO-MUSFGAPCSA-N
+C[N]1C=CC2=C1C(=CC=C2)NC3=C(C(=CC=C3)[N](=O)=O)Cl,72AFA7DCBE20312D_1407EA2EACC9D1A7_7022_UN,9.564143,00000000000000000000000010000000000000000000000001000000100000010100001100010001100101010000011010000111010100000000000101101100001001110100001011001011000010111111110,SMEBFVVFWKCUIX-UHFFFAOYSA-N
+C[N]1C=CC2=C1C(=CC=C2)NC3=C(C(=CC=C3)[N](=O)=O)Br,8301524E56D79FB6_84DD3F67A27A8A8F_7022_UN,9.564129,00000000000000000000000010000000000000000000001001000000100000010100001100010001100101010000011010000110010100000000000101101100001001110100001011001011000010111111110,XPDMHVGDCBUHTN-UHFFFAOYSA-N
+NCC1=CN(C2=C1C=C(C(=C2)F)F)CCOCC3=CC=C(N)C=C3,558806A1C9D30E23_D1DC3A02C0AD5696_6034_UN,9.557962,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111110000000110001100010101010000001001100110110111110110001011011011010111100111110,HAKYMHDYGNOBAI-UHFFFAOYSA-N
+N2CC1=C(C=CC=C1)CN2[S](C4=CC3=C(C=C[N]3C)C=C4)(=O)=O,0683FCDDBE9506D9_89F1443F05BDF077_6029_DP,9.5515175,00000000000000000000000000000000110000000000000100011001001111001101011001010000011101001001011110101110111000011000010011101100011000001110001011001001010010111111110,DEEMZNWEHXNFII-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)F)C=CC2=C[NH]C3=C2C=C([N](=O)=O)C=C3,E86EF3AF2DF642E7_65BC1DF7B7B4D22E_7019_UN,9.543705,00000000000000000000000010000000000000000010000001000000100000010100001100000000000100010000001010010110010100000000000101101100001001110100001011001011000010111111110,OIRGWPAVXPEHOX-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)Cl)C=CC2=C[NH]C3=C2C=C([N](=O)=O)C=C3,41AEF94ECB2274F1_66F027F942BF0EBB_7019_UN,9.543696,00000000000000000000000010000000000000000000000001000000100000010100001100000000000100010000001010010111010100000000000101101100001001110100001011001011000010111111110,ONYOHGUNMKWCEF-UHFFFAOYSA-N
+O([C@@H](CCl)C2=C1C=CC=CC1=CC=C2)C3=NOC4=C3CNCC4,99E983FE7EB8CD51_C5BE8E6EEF8902C8_6035_UN,9.541653,00000000000000000000000000000000000000000000000000000000010000000100000110000000101100100101101011101111110000110100011011001111110010100110001111010001110111110111110,MSLMKQQOWWPQFL-KRWDZBQOSA-N
+N3CCC(CSC(=O)[C@H]1NCCC2=C1C=CC=C2)CC3,A254C25A0CEFCB17_D111CAAB94BFB2DC_6038_DP,9.538167,00000000000000000000000000000000000000000000000000000000000000000000000000000000011000101001000100101100110000010000001011000000110100000110001011010001011110100111110,ZOSBBBGUNRUKIQ-HNNXBMFYSA-N
+O([C@H]1[C@@H](CNC1)C2CC2)C3=CC(=C(C=C3)Br)OC(F)(F)F,D3550B7EBEC2A778_91FE052DF839B28E_6035_UN,9.535143,00000000000000000000001000000000000000000010001000000000000000100000000000000000001100110101000111001000001100001100000001000011110010100110000110010011110001110111110,XOQLVXOEEDWIOL-GXFFZTMASA-N
+O([C@H]1[C@@H](CNC1)C2CC2)C3=CC(=C(C=C3)F)OC(F)(F)F,3A5C00FA7C19F12A_CCAB69EFD65BFBA4_6035_UN,9.535125,00000000000000000000001000000000000000000010000000000000000000100000000000000000001100110101000111001000001100001100000001000011110010100110000110010011110001110111110,VZPGPVUADHWTNI-GXFFZTMASA-N
+CC(C)[C@H]1[C@H](CCN1)OC2=CC3=C(C=C2)CNCC34CC4,5F8957E14E25578C_69AE3097453E4880_6035_UN,9.532301,00000000000000000000001000000000000000000000000000000000000000000010000000100000001100100011000111101100110010011100001011000011110110000110001111010111110011101111110,AWUMVXJPUNIELQ-IRXDYDNUSA-N
+N1CC2(C1)CC(C2)NC(=O)C4=C3C=NC=CC3=CC(=C4)F,E88FD3D205673902_0603AC72987E9983_6038_DP,9.530448,00000000100100000000000000000000000000000010000000000000000000000110000000000000001000110011100000101100110100111000010011000100100101100110001001000001011010100111110,RSKCTAIDVBMUHB-UHFFFAOYSA-N
+C[N]1C2=C(C=C1)CCN(C2)[S](C3=CC4=C(C=C3)[NH]C=C4)(=O)=O,E26821676AFB7736_E91E9C1B2953B101_6029_UN,9.525063,00000000000000000000000000000000110000000000000000010001001111001101000001010001010101101000011010101110011010011000111011101100111000001110001011011001010010111111110,APUNTJCOHOHQHM-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(N=CC=C1)C#N)NC4=C3C2=C(CCC2=CC=C3)C=C4,64C2EBC3089C1A81_7CF2F50AF341D210_6026_UN,9.524668,00000000000000000000000000000000110000000100000000010001001111001101010001000001110000001000001011100110011000001000011001001100001001011100001011011011000010110111110,VBSSMBOOYPVKFM-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)OCCNC2)CC=C3CCNCC3,4E75CF6A2A067672_1F0CECF8B8A2EE93_6031_DP,9.524191,00000000000000000001000000000000000000000000000000100000010000000000000000001000001000100001000101111100110001010100001011010010110110000110001011110001111101110111110,JRONAQILZOZODJ-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)N(C=C2)CCOCC3=C(C=C(CN)C=C3)F)N,948CC584E8FA6FA3_4909F09D764B28DF_6034_UN,9.52391,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111110000010110001100010101010100001001100111010111110110001111011011110111111111110,SZDLFOHVWLWNDZ-UHFFFAOYSA-N
+N4CCOC1=C(C=CC(=C1)OC(=O)C2=NC3=C(C=C2)CCC3)C4,793F4D9ED0326E2F_C20F4C7A1689C511_6038_DP,9.523041,00000000000000000001000000000000000000000000000000000000010000000100000000000000001000100100000111101100110001010100001011010111110010000110001111110001111011110111110,GDOIGEFIODFKDE-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC[C@@]34CNC[C@@]3(C4)C(F)(F)F,D885AC5A7D94168A_BBA9885D937B45C5_7022_DP,9.522845,00000000000000000000001000000000000000000010000000000100000000000010000000000000101100110011000010101101011100001000000001000100110101110110001011000011010110100111010,JXZWFGWIJCZXFK-HZPDHXFCSA-N
+CC1=CC=C2C(=C1[N](=O)=O)[NH]C(=N2)C4=CC3=C(CCNC3)C=C4,4B325A5CD71DBB7B_54FEE6332A2597CE_7005_DP,9.517228,00000000000000000000000010000000000000100000000001000000100000110100001100000101101100100001001011101110110000010000001111101100111101010110001011011011010010111111110,KMUQVFOCJUOEMB-UHFFFAOYSA-N
+ClC1=NC2=C(C=C1)N(C(=O)C=C2)CC[N]4C3=C(C=C(N)C=C3)C=C4,49321224D7AE995F_E4F9FA9F507E66A3_6034_UN,9.512385,00000000000000000000000000000000000000000000000000000000000000000100000000010001000111010000100010101101010100110100011011100101000001110110001111011011011110100111110,LMRYLYXSEORRKI-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC3=CC2=NC=C[N]2C=C3,9C743DB6F583DC91_622A172F01189547_7022_UN,9.509481,00000000000000000000000010000000000000100000000001000000100000010100001100000101100101010000001010100111010100000000000111101100001001110100001011001011000010110111110,GYOUVEVJAAMIAA-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC3=CC2=NC=C[N]2C=C3,EA037FD1886B6619_29C2E56DBF734DE7_7022_UN,9.509207,00000000000000000000000010000000000000100010000001000000100000010100001100000101100101010000001010100110010100000000000111101100001001110100001011001011000010110111110,ISJQFKRJNRAECJ-UHFFFAOYSA-N
+CC(C)(OC1=CC(=C(C(=C1C)C)C#N)C)CN2CCCNCC2,EE87898DAD7BDD73_ABF45EDFDF0AC379_6035_UN,9.5086155,00000000000000000001000000000000000000000100000000000000000000000010000000110001101001100011000100001000100010011101001011100011110010000110011110011111110101101111110,SULPIFJSDLJZCB-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)C2=CC(=C(C=C2)Cl)COC)C#N,72860E73CAB3A1E0_234F11F06347B407_6005_UN,9.507441,00000000000000000000000000000000000000000100000000000000000100101000000000000000010000111000010000000001000101000001000000000110000000100000000011000110010101001111110,DDHRGJNCYBGGSS-UHFFFAOYSA-N
+O=C2N(C1=C(C=CC=C1)N2C3CCNCC3)CCC5=CC4=C(C=CC=C4)[NH]5,62B22A97F0524E8F_284DBF3EF0DB9028_6034_UN,9.501991,00000000000000000000000000000000000001000000000000000000000000100100000000010101101101100011000010101100111000110100011011100101110101000110001111011011011110100111110,PPNIPWVEDWVEEM-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COCC2)[S](C4=CC3=C([NH]N=C3C)C=C4)(=O)=O,E41D104EE5974FB3_7FE0D0A8C8EF4709_6029_UN,9.501767,00000000000000000000000000000000110000000000000000011001011111001101010001000000110100101001001010100110011001001000011011001100111111011110001011111001010011111111110,OXNMVLAYGKVOGM-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=C[NH]C2=C1C(=CC=C2)F)CC3=C(C=C(N)C=C3)CC4,5F1F64A2B3406E5E_92F85BC8C2955D58_7017_UN,9.500578,00000000000000000000000000000000110000000010000000010001001111001101000001010000110110111001001011101110011100011000011011101100111101111110001011011001010010110111110,FTSUVTHGLFJFOV-UHFFFAOYSA-N
+FC(F)(F)C1=CC2=C(C=C1)C=CN2CCC[C@H]3NCCC3,18AF9C0EB9558693_F692F628BF89FE7C_6034_UN,9.499362,00000000000000000000000000000000000000000010000000000000000000000100000000010000001101000011000010001100111100011000001011100100110000100110001000011001010110100111010,KLKIBZQXZPIUIX-AWEZNQCLSA-N
+ClC2=C(C=C1C=CN(C(C1=C2)=O)CC[C@@H]3CCNC[C@@H]3C=C)Br,4558D64F7A392C78_0666D69A7373DAFA_6034_DP,9.495986,00000000000000000000000000000000001000000000001000000000000000000100000000010000001001110001100000111101110100110100011011100101110000100110001111011011011110100111110,UKVFWKGPCSWBFE-STQMWFEESA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)N[S](=O)(=O)C3=CC4=C(C=C3)CCCC4=O,9B3B659B7D7396AA_C01437DDB4318C85_6043_UN,9.495187,00000000000000000000000000000000110000000100000000010101001111001101010001000000110100001000001010000110011000001000011001001101101111011100001111111001101010110111110,RGHKVNJICWOBAN-UHFFFAOYSA-N
+C[C@@H]2CCC[C@H](COC1=C(C=CC=C1F)OC(F)(F)F)N2,1E99511BDD64C8B7_25F970AAC45F1E4F_6035_UN,9.489995,00000000000000000000000000000000000000000010000000000000000000000000000010000000000000010011000100100000101111011101101001000011110000100100000111010011110111111111110,BEYJFVJSQVWZQG-NXEZZACHSA-N
+O(C(=O)[C@@H]1NCCNC1)CCC3=C2C=CC=CC2=NC=C3,0715E63B1F15DCEE_A4BB5B30716A3062_6031_UN,9.489511,00000000000000000000000000000000000000000000000000000010000000000100000000000001001000100001000101101100110001010000001011010110110110000110001001010001011111110111110,GHTCHMCNSHSWFQ-OAHLLOKOSA-N
+N3CCC(COC(=O)C1=CC2=C(C=C1)[NH]C=C2C#N)C3,B7BF0F4564509880_82A5ECF80EFCA420_6038_DP,9.486478,00000000000000000000000000000000000000000100000000000000000000000100000000000000101100100011000011001100110001010000001011010110110100000110001000010001011111110111110,JUYAYZZXUMQNOK-UHFFFAOYSA-N
+NC1=CC4=C(C=C1)CC(OC2=C3C(=C(N)C=C2)C=CC(=C3)Cl)C4,F6299E085087E22F_C052D3373B23137F_6035_UN,9.48474,00000000000000000000000000000000000000000000000000000000000000000000000000000000000010010001000010000101010100000100000000000111010111110000001111000001100011100111110,HXHAWIBJVIFIJP-UHFFFAOYSA-N
+OC(=O)C1=CC(=C[NH]1)NC3=CC2=C(OCCNC2)C=C3,6654DE2E8BDB42BF_76F8F8A003980907_6041_DP,9.483992,00000000000000000001000000000000000000000000000000000110010000000100000000000001101100100001000111001100110001010100001011010100110111010111001010110001111011110111110,WKALTTPHQMDXCP-UHFFFAOYSA-N
+FC2=C1C=C[NH]C1=CC=C2NC3=C(N=CC=C3)[N](=O)=O,340D96445C719CF0_243191D25A6351FB_6041_UN,9.481645,00000000000000000000000010000000000000100010000001000000100000010100001100000101000100010000001111100110010100000000000111101100001101110100001011001011000010110111110,BNCNJXTVAQVWBV-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C=C2CC#N)CC3(NCC(OC)C3)C,855C43A1E9D1A86F_D3772D52FC20DC1B_6034_UN,9.479755,00000000000000000000000000000000000000000100000000000000000000000110000000010001001111000011010111001100110010011001100011100111110111010110001100001101110111101111110,WBAJGUDPPAJXAC-UHFFFAOYSA-N
+O(C1(CNCC1)C#C)C2=CC3=C(N=C2)C(=C(Cl)C=C3)Cl,6FF7EB4618850F5F_F0171B358B8E3F77_6035_UN,9.479414,00000000000000000100000000000000000000000000000000000000000000000110000000000000001100110011000111101101110100011100001011000111010010100110001111010011110011100111110,HDZGNTXNCVZVJL-UHFFFAOYSA-N
+O(C1(CNCC1)C#C)C2=CC3=C(N=C2)C(=C(F)C=C3)F,2C09CFF614398D2D_80726CB399FD189F_6035_UN,9.479407,00000000000000000100000000000000000000000010000000000000000000000110000000000000001100110011000111101100110100011100001011000111010010100110001111010011110011100111110,PRQBTBYKVATUAL-UHFFFAOYSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C4=C3C=CC(=C(C3=NC=C4)F)Cl,D756A100790B4C14_1B9FC01EC2AD645C_6035_UN,9.476063,00000000000000000000000000000000000000100010001000000000000000000100000000000100000000010011000101100101110100010100001011000111110011110100001111010011100011100111110,BCIPZQRVHSGEDV-RDJZCZTQSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C4=C3C=CC(=C(C3=NC=C4)F)F,168A50B2D37EB4D7_0184B34F8572F574_6035_UN,9.476055,00000000000000000000000000000000000000100010001000000000000000000100000000000100000000010011000101100100110100010100001011000111110011110100001111010011100011100111110,QOCJABJJWJQEAY-RDJZCZTQSA-N
+OC(=O)C1=C[NH]C2=C1C=C(C=C2)NC4CNCC3=CC=N[N]3C4,0A7531DE40A15693_BE209D9B9B907BB0_6041_DP,9.475353,00000000000000000001000000000000000000000000000000001110000000000100000000000001101100100011001011001100110000010000000011111100110101010111001010001001011011110111110,QPJBLXMLQIKRCV-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC3=C2OCCC2=CC=C3,FB8A3AEBD7851719_9C2DAD462260F363_7022_UN,9.473981,00000000000000000000000010000000000000000000000001000000110000010000001100000000100100010001001110000111010101000100001100101100001011110100001011111011110011110111110,AVOYBCCTBZNCKW-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC3=C2OCCC2=CC=C3,D7931E097090C924_D7C55F049C0B2BC3_7022_UN,9.47398,00000000000000000000000010000000000000000010000001000000110000010000001100000000100100010001001110000110010101000100001100101100001011110100001011111011110011110111110,IDBKKPDYVPQXAI-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)ON=C2)NC3=CC=CC4=C3CNC4,BA9FC54FA65D540E_01D8660509CB44AD_6026_DP,9.473748,00000000000000000000000000000000110000000000000000010101011111001101010101000000111100101011001011001110011000001000010011001100011101011110001011101001110010110111110,CTVYFUZVEKBNGY-UHFFFAOYSA-N
+O=C1N(C=C(C#N)C2=C1C=CC=C2)CCC3CNCCN3,0020EBD3FC6CB55E_350203254784B9F3_6034_DP,9.472286,00000000000000000000000000000000000000000100000000000010000000000100000000010001101001100011100000101100110000110100011011100101110100000110001111011011011110100111110,LNZPYCNKNHXTGL-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)N2)CC3=C(C=C(CN)C=C3)C4,E5CF51C9DBD1A6EE_79676536832E8DCF_7017_UN,9.469456,00000000000000000000000000000000110001000001000000010011001111001101000001010101011110101000001010001110011000101100010011101101111100001110001111101001011110110111110,UDTRYTQASGBUJH-UHFFFAOYSA-N
+O(C(=O)C1NCCCNC1)CCC3=CC2=C(C=CC=C2)[NH]3,711F8508B9D13043_FD4BDF26D189D95F_6031_UN,9.46861,00000000000000000001000000000000000000000000000000000110000000000100000000000001101100100011000111001100110001010000001011010110110110000110001000010001011111110111110,SGJZEJXJHRCHIO-UHFFFAOYSA-N
+O(C[C@@]12[C@@](C1)(CNC2)C(F)(F)F)C3=CC(=C(C=C3)N)OC(C)C,FB162E5497EFE923_A841C5F3E2D9A35B_6035_UN,9.466725,00000000000000000000001000000000000000000010000000000000000000000010000000100000001110100111000111101000011101001100000001000011110101110110001111000111110111111111110,HNSZPAWQCYHMAR-HUUCEWRRSA-N
+NC2=C(C=C1CCNC(C1=C2)=O)C3=CC(=C(C=C3)Cl)COC,531BCA536F49EB19_BB6CFFCCB7EF7D51_6004_UN,9.4665985,00000000000000000000000000000000000000000000000000000000000000100000000000000000001010110001110000101101110101110001011001000111000101110110001111010011011111111111110,AQSCHJIMIWJQBX-UHFFFAOYSA-N
+CC(OC1=CC(=C(C=C1)Br)OC(F)(F)F)[C@H]2CCCN2,F5453892AA6FE118_4BA9888E92BCBF95_6035_UN,9.463377,00000000000000000000000000000000000000000010001000000000000000000000000000000000001100010111000110001000101110011100101001000011010000100100000110010011110011111111110,GKFAETIHGUIEHY-QHDYGNBISA-N
+CC(OC1=CC(=C(C=C1)F)OC(F)(F)F)[C@H]2CCCN2,6F8CAC749179AA60_16FCE44CBCDEF6BF_6035_UN,9.463372,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100010111000110001000101110011100101001000011010000100100000110010011110011111111110,SWLORQXQSHLXJT-QHDYGNBISA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=N[NH]C5=C4C(NC=N5)=O,8BF2BF1BD1940650_7DAC1CDAE3943A9D_6038_UN,9.462866,00000000000100000000000000000000000000100000000000001100010000000110010000000101100100000000101111110100010000101100011011001101000111011100001111110001101011110111110,QIGSLJLIZCPINJ-UHFFFAOYSA-N
+OC(=O)C1=CC2=C(C=C1)[NH]C=C2NC3=CC=CC4=C3CCNC4,185FD8BA6E03AD06_0AA6963DA24BF7C5_6041_DP,9.452225,00000000000000000000000000000000000000000000000000000110000000000100000000000001101100100011000010101100110000010000001011010100110101010111001011010001011011110111110,MLZAQXFKQLPYRU-UHFFFAOYSA-N
+FC2=C1[NH]C=CC1=CC=C2N[C@H]3[C@H](CCNC3)C4=CC=CC=C4,9ED92490C3547068_4A6029E5535D4109_6041_DP,9.450569,00000000000000000000000000000000000000000010000000000110000000100100000000000001101100110011000010101100110100010000001011000100110101110110001011010011010010100111010,LLHBUHIBNRILQD-NVXWUHKLSA-N
+C(C1=CC(=O)OC2=C1C3=C(C=C2)C=CC=C3)=CCCC4CCNCC4,D7D2C35FD2BC7C4A_D4E8BE5D3710E7C4_7019_DP,9.449158,00000000000000000000000000000000000000000000000000000000010000000000000000000000001000100001000000111100110000010100001011010101110000000110000101010001111100110111110,YZHCJSSKNTWJFC-UHFFFAOYSA-N
+N2CCC(C)(COCC1=C(OC(F)F)C=C(C=C1)C#N)C2,ED0AC42FB2A33900_E6BF005EFB715D55_6039_DP,9.448595,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100100111000011001000101111011101101001000011110000100110001110010011110101111111110,RAQSYJOOXNSZFK-UHFFFAOYSA-N
+N(C1=C(N=CC=C1F)F)C(=O)C4=CC3=C(C=C2OCCOC2=C3)[NH]4,45DEF38A5729063F_A0709794041BF3F0_6038_UN,9.447091,00000000000000000000000000000000000000000010000000000010010000000100000010000001000100010000100111100100010101100100011011000100000111110110001011110011111011110111110,YVBDVGJAQSKHOT-UHFFFAOYSA-N
+O([C@@H]1CCN2[C@@H]1COC2=O)C3=CC4=C(C=C3)N=C(Br)C=C4,B5266CA05C0AAC44_14717F2744889AAA_6035_UN,9.4415865,00000000000000000000000100000000000000000000001000000000010000000100000000000000000101010100000111101100011101110100011011110111110010100110001101111000111011110111110,PQJCCXMTSAICRM-CHWSQXEVSA-N
+NC1=CC2=C(C=C1)C=CN(C2=O)CC(N)CC3=C[NH]C4=C3C=CC=C4,2CF980682F9010F5_0E58EBC059EA24DB_6034_UN,9.436481,00000000000000000000000000000000000000000000000000000000000000000100000000010001000111000011100010101100110000110100010011100101000101010100001111001011011110100111110,ZKZFZXZARRCQEL-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C(CCl)C(=O)N2CC3(CNCC3)F,9353A6903DD7359B_CA24F5E1DD923385_6034_UN,9.435606,00000000000000000000000000000000000000000010000000000000000000000110000000010000101101110011100010101101110100111100011011100101110000100110001111011011011110100111110,INNDKKZNNIZHCH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)NNC2=O)NCCC3=CC4=C(C=C3)OCC4,2874A41638B0CF18_803B35CDF5D6BCBB_6041_UN,9.435468,00000000000000000000000000000000000000000000000000001000010000000100110000000000001100000000101110101100110001110100011011001101100111011110001111110001111111110111110,QKTSNPPOWONOEY-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)OC2=CC=CC=C2)C4=C3C=C(C=C(C3=NC=C4)F)F,597FE0BCB2173C34_6B78D4DD72E8DFB2_6035_UN,9.433054,00000000000000000000000000000000000000000010000000000000000000000100000010000000001100110001000111101100010100000100000011000111010010100110001101000011110011110111110,FJJRYQLYWSNUGN-QZTJIDSGSA-N
+N3C[C@@H]2CC[C@H](OC1=C(C(C)(C)C)C=C(C=C1N)Br)[C@@H]2C3,67538F5928751A9E_0E4B932972ABA8C3_6035_DP,9.43205,00000000000000000000000000000000000000000000001000000000000000000010000000100000001110110011000111001100010100001100001001000011110111110110011110010111110011101111110,PDIGXOWTJAZFGY-NVBFEUDRSA-N
+C1(=C(N=C(C=C1)F)C(F)(F)F)OC2(CCNC2)CN=[N]#N,7AA2570AC3FB7A7C_FA2A60FB2BF779DE_7022_DP,9.430558,00000000000000000000000000000000000000000010000001001000000000000110001000000100101100110011001111101000101100011100001111001011111010100110001110010011110111100111110,YDYKAASUHZCTBE-UHFFFAOYSA-N
+O(C[C@H]2C[C@@H]1NC[C@@H]1C2)C3=C(C=C(C)C=C3Br)CC=C,DA9BBBCB56A0DFF8_ECDA2C68ECEC3F1B_6035_UN,9.430023,00000000100100000001000000000000001000000000001000000000000000000000000000000000001000010011000010011000110111010100000001000011110000100110000110000011110111101111110,LBXQNJZNVMQDTB-INWMFGNUSA-N
+COC1=CC2=C(C=C1)N(CCC2)[S](C4=CC(=C3[NH]C=CC3=C4)C)(=O)=O,7587F5009D04484C_5AC9DDFD6909EE2A_6029_UN,9.429558,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100001000011010101110011000011100011011101111101000011100001111111101110011111111110,FRPLHCFQIHQRMP-UHFFFAOYSA-N
+O([C@H]1[C@@H](NCCC1)C(F)(F)F)C2=CC(=C(C=C2)F)NC,18B9D583B237E1E9_9A5C7485615FD9E9_6035_UN,9.42889,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010011010101101000101100011100001001000011100111110100001111010011110011101111110,NRCDOKGFESLKTN-VXGBXAGGSA-N
+C1(=C(C(=C(C=C1)Cl)C#N)F)NC2=NC3=C(C=C2)C=CC=N3,891D1F0D216C7CD0_DFB7D2DE4FAD7137_7022_UN,9.427551,00000000000000000000000000000000000000100110000000000000000000000100000000000100100000010000000000100101010100000000000011000100000001110100001011000011000010100111010,HIHYUDATADYMMC-UHFFFAOYSA-N
+FC2=C1[NH]C=CC1=CC=C2NC3=C(C=C(C=C3)SC#N)F,C3D999A071317818_C2526BB5C4FBE00F_6041_UN,9.427441,00000000000000000000000000000000000000000110000100000100000100001100000000000000110100011000000010000100010100000000000001000100000101110100001011000011000010100111010,KWKZFWUEPCCBHB-UHFFFAOYSA-N
+O(CC1NCCC=C1)C2=CC(=CC(=C2)Cl)OC(F)(F)F,E599704B87927B9D_E1CABC5AD90EC1D4_6035_UN,9.425644,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010101000100111001101101011100001001000011110000100110000101010001110111110111110,FGJNIAXQGJHSLP-UHFFFAOYSA-N
+O(CC1NCCC=C1)C2=CC(=CC(=C2)Br)OC(F)(F)F,BC7F5EAF9F437913_71E96E711C031F05_6035_UN,9.425622,00000000000000000000000000000000000000000010001000000000000000000000000000000000001000010101000100111000101101011100001001000011110000100110000101010001110111110111110,KRPIEZZHWXXHSF-UHFFFAOYSA-N
+IC1=CN(C(=O)C2=C1C=CC=C2)CC3CNCC4=C3C=CC=C4,9916617C99E4DBEB_5D71C701A94D00C1_6034_DP,9.424799,00000000000000000000000000010000000000000000000000000000000000000100000000010000101001110010100000101100010100100100010011100101100000100110001111001011011110100111110,OKFILDRGWJIWDQ-UHFFFAOYSA-N
+O=C1N(C=C(C=C1)N2CCNCC2)CCCC4=C3C=CC=CC3=CC=C4,1AF0C235B1415AEA_E22C3CACD6EA52CA_6034_UN,9.423861,00000000000000000000000000000000000000000000000000000000000000100100000000010001001001100001100000101100110000110100011011100101110001010110001111011011011110100111110,GMNGIIAVCGAFMY-UHFFFAOYSA-N
+ClC1=C(C=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@@H]4CNC[C@H]4C5=CN=C[N]5C,F6D8AE9D5CAA2D54_42417E003AE055FA_6034_UN,9.423335,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101110011010010001001100110010000001011100100110100100110001010011011010110101111010,DYQUTHODAMGDLW-NADDXPSSSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2=CN=C(OCC)C=C2,F20FC67415A5EDFF_9BA7DA288EEA077E_6041_UN,9.4201565,00000000000000000000000010000000000000000010000001000000100000010100001100000001100000010010101000100010000101100110010101101111001001110100001111101111010111111111110,OVEIJPQKQVYDLE-UHFFFAOYSA-N
+CC(C)[C@@H]3[C@H](OC1=C(C=C2C(=C1)C=CC=N2)Br)CCN3,8A272315D587F355_469D0FA1DDE59AFB_6035_DP,9.416328,00000000000000000000000000000000000000000000001000000000000000000100000000100000001100010011000111101100110110010100001011000111000010100100001111010111110011101111110,LNAMOOANMNXKGK-GDBMZVCRSA-N
+C[N]1C=CC(=C1C#N)C2=C(C=C(OC)C=C2)CN(C)C,65F655E95A04BDFB_9A071A47B588A50B_6004_UN,9.415832,00000000000000000000000000000000000000000100000000000000000000100100000000110001000101100000010010001000000000000101000001100111000000000100011110001110110111101111110,UDAAQXXKEUEYII-UHFFFAOYSA-N
+N3CCC1(CCCC1C=CC2=C(O)C(=C(C=C2)F)F)CC3,F2823DA918372B1F_52E5041498988948_7019_DP,9.414986,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110001000010111000110100011100001001000001110100100111000111010011110001100111110,WOLKFIQFADRRJX-UHFFFAOYSA-N
+N3CCC1(CCCC1C=CC2=C(O)C(=C(C=C2)Cl)I)CC3,80DEA8660BDA9044_2ACAC5026612AF7C_7019_DP,9.414982,00000000000000000000000000010000000000000000000000000000000000000010000000000000001000110001000010111001110100011100001001000001110100100111000111010011110001100111110,CYSUWZGNIOWYHH-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C5=C(N2CC3=NC4=C(C=C3)C=C[NH]4)CCNC5,BE20DDB1117D329C_62C22A8FE9029546_6034_UN,9.413806,00000000000000000000000000000000000000100010000000000000000000000100000000010101101101110001000010101100110100010000001011100100110100100110001011011001010110100111010,MBZXONPOOJJLOM-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C5=C(N2CC3=NC4=C(C=C3)C=C[NH]4)CCNC5,79B9AA4AB34295B9_16DB521FA39B2E40_6034_UN,9.413789,00000000000000000000000000000000000000100000001000000000000000000100000000010101101101110001000010101100110100010000001011100100110100100110001011011001010110100111010,QWVSWXWGAPAMQR-UHFFFAOYSA-N
+IC1=CN(C(=O)C2=C1C=CC=N2)CC3C(CNCC3)C4=CC=CC=C4,9283FB37EDCC7564_00DAA0B811746D3D_6034_UN,9.413077,00000000000000000000000000010000000000000000000000000000000000100100000000010001001001110001100100101100110100110100011011100101110000100110001111011011011110100111110,BGJRUSVHIWEMNJ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC[C@@H]2CNC[C@H]2C(F)(F)F)CN(C)C,D6B9FE00B058A46D_0F658D8CE2FCDE68_7022_DP,9.411596,00000000000000000000000000000000000000000010000000000000000000000000000000100000001101100011010011001000001101001101000001100011110000100110011110001111110101111111110,CAXKBBRJCLSSEO-GXTWGEPZSA-N
+N1CCC(CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=CC(=C(N)N=C4)Cl,7439A72D697A3100_839122EC5ACC2A42_6034_DP,9.410873,00000000000000000000000000000000000001100000000000000000000000100100000000010101101111110001000010101101111100110100011011100101110101110110001111011011011110100111110,GYDHMHZOKMGJPP-UHFFFAOYSA-N
+N2CC1=C(C=CC=C1)CC2CNC(=O)C3=CC4=C(C=C3)C=C[NH]4,675A0DE02E3736C4_B06A00AB10CD4BC6_6038_DP,9.410852,00000000000000000000000000000000000000000000000000000010000000000100000000000001001100000011100010101100110000110000010011000100010100000110001011000001011110100111110,MDTQIUSXLQTDHF-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CNC2)CCCC3=CC4=C(C=C3)OCO4,D9AA401582FA91E5_A204E1F248631FFA_6031_UN,9.40946,00000000000000000000000000001000000000000000000000000000010000000000000010000000001100100001000010001100010001000100001011010110010010000110100011110001111101110111110,IOORYHYFMGBUSE-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)[NH]C=C2C3CCNCC3)C4=COC=CC4=S,199386D812EA23E9_B375163856A5DA2B_6031_UN,9.409167,00000000000000000000000000000000000000000000000000000000010100101100000011000000011100101001000010101100110000010100001011010111110100000110001111110011111011110111110,BYENLDWSIWUIGX-UHFFFAOYSA-N
+C(C1=CC2=C(C=C1)CCOC2)=CC3=C(O)C(=CC=C3Cl)Cl,216FF8F5F638FFF6_6292D6B1EDBA51FB_7019_UN,9.409032,00000000000000000000000000000000000000000000000000000000010000000000000000000000000000110000000000110101010101000100001000000101110010100111000111010010110001010011110,YYXUYKCWVRDETD-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)NCC2(COCCNC2)F,C87FCF11397A8FD8_A6A021CFB5C7E58A_7022_DP,9.407013,00000000000000000001000000000000000000000010000000000100010000000010000000000000101000110011000101001001101101011100001011000011110111110110001110010011110111110111110,RRQXSVKYRQRDFV-UHFFFAOYSA-N
+O(C[C@@]12[C@@](C1)(CNC2)C(F)(F)F)C3=CC(=C(C=C3)N)SC,859A6223EE4F689B_D49F5609149FDC61_6035_UN,9.406285,00000000000000000000001000000000000000000010000000000000000100001010000000000000011110101011010011101000011101001100000001000011110101110110001111000011110111101111110,BAFFERXRCPEXSC-CHWSQXEVSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NC3=C(C)C=CC=C3[N](=O)=O,FEF1F0E990CF7897_DB36D7C8F433963B_6041_UN,9.405805,00000000000000000000000010000000000000100100000001000000100000010100001100000101000000000000001001100110010000000000000101101100001001010100001011001011000010111111110,HJSVDJRIHPKVRS-UHFFFAOYSA-N
+CC(C)C1(CNCC1)OC2=C(N)C=C(C=C2C(F)(F)F)Br,A7710F2B419BEC55_5EDFB0BA3215C57F_6035_UN,9.405445,00000000000000000000000000000000000000000010001000000000000000000010000000100000001110110011000111001000101110011100101001000011010111110110001110010111110011101111110,KOTZKJHFUWNYLO-UHFFFAOYSA-N
+CCC1(CCNCC1)OC2=CC(=C(C=C2)C(F)(F)F)C#N,01086BB913A78E41_B2BD63135A725C16_6035_UN,9.403466,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000100001000001101000101110011110101001000011110010100110001111010011110101101111110,OOAYLGZIZVSLOO-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1OCCOC1=CC=C2)NC4=CC3=C(C=CC(=N3)OC)C=C4,6C3078D5A5A6297D_3BB1AA3486E8587D_6026_UN,9.400587,00000000000000000000000000000000110000000000000000010001011111001101010011000000110000001100111001100110011001101100011011001111001011011110101111111001110011111111110,XOCLOBIQNXWQKY-UHFFFAOYSA-N
+CC2CN(CC(C)(C)OC1=C(C=C(SCC)C=C1)C)CCN2,11332806620D7A8C_733C0C3F963606D1_6035_UN,9.399369,00000000000000000000000000000000000000000000000000000000000100001010000000110001011001101001000100101000100010011111101011100011110010000110011111011111110111101111110,GTBNMFPFCSRCKO-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC[C@@]23CNC[C@@]2(C3)C(F)(F)F)C,EA97189B92D31596_252B997687899A00_7022_DP,9.397799,00000000000000000000001000000000000000000010000000000100000000000010000000000000101100100011010010101000011100001100000001000011110101110110001111000111110111101111110,WDPZOKIBYRWLOY-ZIAGYGMSSA-N
+CC[C@@H]2CCN[C@H](COC1=C(C(=C(C(=C1F)F)F)F)F)C2,706066EF3903A18D_10B3E31987E7F85B_6035_UN,9.397019,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010001000100101000100111010110101001000011110000100110000111010011110111101111110,GVXTTYSVVPHBLG-SFYZADRCSA-N
+CC[C@@H]2CCN[C@H](COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2,CC24C015B845FD17_F70B35B8661CD247_6035_UN,9.397001,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000010001000100101001100111010110101001000011110000100110000111010011110111101111110,QEZILVUOUMDPEV-SFYZADRCSA-N
+COCC[N]1C=CC2=C1C=C(C=C2)NC4=CC3=C(OC(N(C)C3)=O)C=C4,996B7A61EA5E57BD_425930C7D072B25F_6041_UN,9.39659,00000000000000000000000100000000000000000000000000000000010000000100000000010000100101100001010111101100011001110101111011110111000011010110001111111111111111111111110,KKMUKCXBJAWZQR-UHFFFAOYSA-N
+N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=C(C=CC=N4)Cl,451CAC1169B0B9B6_90BB679F9AE59716_6034_DP,9.395607,00000000000000000000000000000000000001000000010000000000000000100100000000011101101101110001000010111101111100110100011011100101110001100110001111011011011110100111110,GIUPTNVZLPNYAZ-UHFFFAOYSA-N
+N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=C(C=CC=N4)Br,D6136D8810834D58_55B9A0D97FA5CB7C_6034_DP,9.395597,00000000000000000000000000000000000001000000011000000000000000100100000000011101101101110001000010111100111100110100011011100101110001100110001111011011011110100111110,HCXDCOFRUFYEOQ-UHFFFAOYSA-N
+N1CCC(=CC1)N2C(=O)N(C3=C2C=CC=C3)CC4=C(C=CC=N4)F,91E7660A27802A6B_55F23499EB4570BE_6034_DP,9.395597,00000000000000000000000000000000000001000010010000000000000000100100000000011101101101110001000010111100111100110100011011100101110001100110001111011011011110100111110,ZWGQDGPUQUZEDV-UHFFFAOYSA-N
+C1CN(CCN1)C3=C2N(C=CC2=CC=C3)CCCCC#N,85CB0784BF49F768_571FEC946CBFB938_6034_UN,9.394479,00000000000000000000000000000000000000000100000000000000000000100100000000010001001101100001000010101100110000010000001011100100110001010110001001011001010110100111010,UADMWCZEPMUPEJ-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2)CCC3=C(C=C(CBr)C=C3)C4,48A0D4AEBA1F0DB3_4F7F0A6395BFCFF7_7017_UN,9.393533,00000000000000000000000000000000110000000000001000010001001111001101000001010000010000101000101000101110011000111100011011101101111000101110001111111001011110110111110,KTCDZHDUFXTOGD-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2)CCC3=C(C=C(CCl)C=C3)C4,EB353953BD7D5028_FD7A4BA0C67EEC1C_7017_UN,9.393528,00000000000000000000000000000000110000000000000000010001001111001101000001010000010000101000101000101111011000111100011011101101111000101110001111111001011110110111110,XSGCLXWBFVORKO-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NCCC2=CN=C(C=C2)N3CCC3,0D403840C129607B_21E15FD5FBDA5508_7022_UN,9.392953,00000000100100000000000010000000000000100000000001000000100000110100001100010100101001110000001000101011100100010000001111101100001001110110001011011011010110110111110,NABGGWWOCKWFRZ-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NCCC2=CN=C(C=C2)N3CCC3,8FDA8CECCD74C391_6A09AD9745B18DA8_7022_UN,9.392941,00000000100100000000000010000000000000100010000001000000100000110100001100010100101001110000001000101010100100010000001111101100001001110110001011011011010110110111110,JQDXKVCAXFQULO-UHFFFAOYSA-N
+OC(=O)C1=CC2=C(C=C1)[NH]C=C2NC4=CC3=C(CCNC3)C=C4,75253116AFD60228_7630BAB2818E97EE_6041_DP,9.392769,00000000000000000000000000000000000000000000000000000110000000000100000000000001101100100001000010101100110000010000001011010100110101010111001011010001011011110111110,NCHMBUCKQXKPDD-UHFFFAOYSA-N
+NC2=C1C=CN(C(C1=CC=C2)=O)CC3(CN)CCC4=C3C=CC=C4,A1CA866C6149248F_3B099455705F9FFA_6034_UN,9.392304,00000000000000000000000000000000000000000000000000000000000000000110000000010000101011000011100010101100010000101100011001100101110101010110001111011011011110100111110,DXYVBCPPAPKDEJ-UHFFFAOYSA-N
+ClC1=CC2=C(N=C1)N(C(=O)C=C2)CCC3CCNC4=C3C=CC=C4,ADE4F6B30217C9C8_9B626DBBF50033B1_6034_UN,9.392181,00000000000000000000000000000000000000100000000000000000000000000100000000010100001001010001100001101101110100110100011011100101110000110110001111011011011110100111110,YKHFFLSWSGFKMX-UHFFFAOYSA-N
+C(C[N]1C=NC=C1)=CC2=C[NH]C3=C2C=C([N](=O)=O)C=C3,73138E86AE9E2A15_5BC25895F5E27964_7019_UN,9.390698,00000000000000000000000010000000000000000000000001000000100000010100001100010101000101000000001010011110010000000000000111101100001001010100001000001001010110110111110,KUPKPEMYAHTGRX-UHFFFAOYSA-N
+O(CC12C(C1)CNC2)C3=CC(=C(C=C3)F)NCC(F)(F)F,6969076282347E96_4353BC9ED21F5CC6_6035_UN,9.389515,00000000000000000000001000000000000000000010000000000000000000000010000000000000001100110011000011101000011101001100000001000011110101110110001111000011110111100111110,UEVJNOVFUMWYEO-UHFFFAOYSA-N
+C[N]1C=NC=C1[C@@H]2CNC[C@H]2COC3=C(C=C(C=C3Cl)F)C#N,33C55B5320C0141C_252F51C9E4D5B702_6035_UN,9.387695,00000000000000000000000000000000000000000110000000000000000000100100000000010101101101110011010011001001000111000100000011100111110000100110001110001011110111101111110,YUPOEIVMVKAAGK-WCQYABFASA-N
+C[N]1C=NC=C1[C@@H]2CNC[C@H]2COC3=C(C=C(C=C3Br)Br)C#N,4E3347912DFB0219_A8B7A8E7E79C66FE_6035_UN,9.387691,00000000000000000000000000000000000000000100001000000000000000100100000000010101101101110011010011001000000111000100000011100111110000100110001110001011110111101111110,VWBQDPVMUKHVSW-WCQYABFASA-N
+CC(C)(C)[C@H]1[C@@H](CNCC1)OC2=C(CC)C=C(C(=C2)Cl)Cl,B57FDB32CC719C64_ED751D98A8D98B9C_6035_UN,9.387541,00000000000000000000000000000000000000000000000000000000000000000010000000100000001000110001000100101001100110011110101001000011110010100110010111010111110101101111110,IGKQXFDMMKMFCF-MLGOLLRUSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3(OC)CNC3)CCN,64C495EB4257BC99_89E3C2D88D2DBEFE_6034_UN,9.386752,00000000100100000000000000000000000000000000000000000000000000000110000000010000101111100010010110001100110000011000101011100111100110000110001100011101110111101111110,OWAWZVCTOGLRFK-UHFFFAOYSA-N
+COC[C@H]1NC[C@H](C1)OC2=CC(=CC3=C2C=CC=C3)N,6281D6C3BDBAD97E_79C2E3B3229AD169_6035_UN,9.385098,00000000000000000000000000000000000000000000000000000000000000000000000000000000001110100011010111001100110011010101000001000111110111010110001101000001110111111111110,QZNAXONHWYZCTK-KBPBESRZSA-N
+FC2=C1C=C[NH]C1=CC=C2N[C@H]3[C@H](CCNC3)C4=CC=CC=C4,5861AFB33BA42023_4682503933CCCAAF_6041_DP,9.384887,00000000000000000000000000000000000000000010000000000010000000100100000000000001001100110011000010101100110100010000001011000100110101110110001011010011010010100111010,PRDSCIXWYPHGDD-RDTXWAMCSA-N
+O=C1N(C(=CC2=C1C=CC=C2)N3CCCC3)CCC[C@H]4NCCC4,62AA2D853B84C482_D76A1B708BEB0EFC_6034_UN,9.384669,00000000000000000000000000000000000000100000000000000000000000100100000000010100001101100011100011101100110000110100011011100101110001010110001111011011011110100111110,FGRJEVGKIYBINW-KRWDZBQOSA-N
+N3CCC(NC(=O)C2=CC1=C(C=C(C(=C1)Cl)Cl)[NH]2)CC34CC4,B24FCC07BFFFB3CC_32A737DEEFC72263_6038_DP,9.383667,00000000000000000000001000000000000000000000000000000110000000000110000000000001101100010011100110101101110100111000011011000100110101100100001011010011011010100111110,JCXUBFMRDROZEX-UHFFFAOYSA-N
+CC(=O)OC1=CN(C2=C1C=C(C=C2)Cl)C[C@@]34[C@@](C3)(CNC4)C(F)(F)F,DA1EE0DA9897D603_853D845F8D6A5598_6034_UN,9.382976,00000000000000000000001000000000000000000010000000000000000000000110000000010000101101110011000111101101011100001100000011110111110000100110001101001011111111111111110,VFOIXYNIMINMCU-HZPDHXFCSA-N
+N(CC1=CC2=C(C=C1)CCC2)C(=O)C3=C[NH]C4=C3C(=CC=C4)[N](=O)=O,DCB5C515381BD99C_5AFDEB8C1858AF2A_6038_UN,9.381162,00000000000000000000000010000000000000000000000001000100100000010100001100000000101100000000101011001110010000100000011101101100111101011100001011111001011110110111110,HEIQEOZSLAIYEQ-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CNC2)CCC3=CC(=C(N)C=C3)N,78E8D0385E37E943_B0088320D276FE24_6031_UN,9.378757,00000000000000000000000000000000000000000000000000000010000000000000000000000001001110100001000010001100010001000000001001010110010111010110001011010011011111110111110,GAFRBVWGMHHQNG-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC2=CC=C(CCNC)C=C2,652CC3EC19A339EA_76455A7BEA194280_7022_DP,9.378691,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110000011000001010100100010001101100101100001101110000001011011011010110111111110,TVUHOZTWKYQRLJ-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC2=CC=C(CCNC)C=C2,01405446E5006105_3DADA83954729A20_7022_DP,9.378676,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000110000011000001011100100010001101100101100001101110000001011011011010110111111110,CEQIGBYDVRQHCH-UHFFFAOYSA-N
+O(C[C@@H]1CNC[C@H]1C(F)(F)F)C2=CC=C(OCCOC)C=C2,AD63B482CCD72D79_83919B722947AFD5_6035_UN,9.377164,00000000000000000000000000000000000000000010000000000000000000000000000010000000001100100011010011001000001101001101101001000011110010100110000100110011110101111111110,LQLHMERIZOCJCM-SMDDNHRTSA-N
+C(CCC1(CCOCC1)C#N)=CC2=C[NH]C3=CC=CC(=C23)N,18320FD76B304D34_479DAD8F51F70472_7019_DP,9.37624,00000000000000000000000000000000000000000100000000000100010000000110000000000000100110100000000010110100010001001000001011000100110111010110001001010001010111100111110,DMXRRDOWNBLJDK-UHFFFAOYSA-N
+ClC1=CC4=C(C=C1)[N](CC=CC2CNCC3=C2C=CC=C3)C=C4,70B0E09A6677C54F_8F9B97C3907BA034_7019_DP,9.375238,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101110000000010111101010100000000000011100100100000100110001011001001010110100111010,QCGYAIQWCRLONX-UHFFFAOYSA-N
+N1CCC1(C)COCC#CC2=CC=C(C(F)(F)F)C=C2,2E6164A8F8A1709B_2C3220D179626C6C_6039_DP,9.374994,00000000100100000100000000000000000000000010000000000000000000000010000000000000001000100011000100001000101111011001101001000010110000100110000000010001010111101111110,OPIWQOHBOFQNIB-UHFFFAOYSA-N
+FC2=C1C=CC=NC1=C(C=C2)NC3=C(C)C=CC=C3[N](=O)=O,6F692DC4BAE61165_9A01DAE2C4D0FAB5_6041_UN,9.373219,00000000000000000000000010000000000000000010000001000000100000010100001100000001000000010000001001100110010100000000000101101100001001110100001011001011000010111111110,LNEHNPUCYCYOSQ-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,534DF612A230EE20_9DA8E62ADC07B1D2_6035_UN,9.371207,00000000000000000000000000000000000000000000000000000000000000100000000000010001001001100011000100101000100010010111101011100011110110000110011101011111110111101111110,IJKQLRYGQZMFBE-OHPVBQACSA-N
+C2(=C(C=C1[NH]C=NC1=C2)C#N)NC3=CC4=C(C=C3)CCOC4=O,81D4E7E11C4B68E3_C2468F3C8D4A427A_6041_UN,9.365776,00000000000000000000000000000000000000000100000000000000010000000100000000000101100100000000000010100100010001000000001011010101000111010100001111010011011011110111110,WXNABXVXDPTLQY-UHFFFAOYSA-N
+CC(OC1=CC(=C(C=C1)OC(F)(F)F)Br)[C@@H]2CCCN2,32D0616014A7A2A2_C90F73BBA4C40852_6035_UN,9.364954,00000000000000000000000000000000000000000010001000000000000000000000000000000000001100010011000110001000101110011100101001000011010000100100000110010011110011111111110,XKEBJDRIHSIBBK-LYNSQETBSA-N
+O=C(CC#N)C1=C[N](C2=C1C=CC=C2)CC3CNCCCN3,8254133C8451CC16_AC5FC9125F923609_6034_DP,9.364384,00000000000000000001000000000000000000000100000000000110000000000100000000010001101101100011000011001100110000010000001011100100110110000110001000011001111110100111110,MUQAWYBCZNILSH-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)NCCOCC=C,0335C3075C34BAF0_16AA0A3D94F4AC75_6041_UN,9.363968,00000000000000000000000000000000001000000000000000000000000000000000000000010000001101100001110110011100110001110000011001100111010011010110001101011011011111111111110,HMDDBLPECFMWMC-UHFFFAOYSA-N
+FC1=C(C=CC=C1)SC2=NC=C(C=C2)NC[C@@H]3C[C@@H](CN3)F,C4FD3752D35A8DE7_1E8DC9BF8717D756_6041_DP,9.362643,00000000000000000000000000000000000000000010000100000010000100001100000000000001011100011011000010101000100100010000000011000100110101110110001011000011010110100111010,ZCEWASIBTZPYBB-AAEUAGOBSA-N
+BrC2=NC=C1N(C=C(C1=C2)I)C[C@@H]3CNCC[C@@H]3C4=CC=CC=C4,1EF7F55E8EF4B9D9_79BF3D9A2B86CDFA_6034_UN,9.360091,00000000000000000000000000010000000000000000001000000000000000100100000000010001101101110011000010101100110100010000001011100100110000100110001001011011010110100111010,MAKFXDVEVSGNKJ-LSDHHAIUSA-N
+N2CC(OC1=CC(=CC(=C1C#N)Cl)Cl)(C2)C3=CC(=C(C=C3)F)F,101C671C385C2938_5C4C7C8F3DF0C16D_6003_DP,9.359712,00000000100100000000000000000000000000000110000000000000000000100010000000000000001000110010000101001001000100001100000001000111000010100110001111000011110001100111110,XZOHZQUFVHJYCS-UHFFFAOYSA-N
+O(C[C@@H]1CNC[C@H]1C(F)(F)F)C2=C(OCC)C=C(C=C2Br)C#N,57FA68A6540E74C7_EFA8E00FEE473765_6035_UN,9.359537,00000000000000000000000000000000000000000110001000000000000000000000000010000000001100110011000011001000001101001110000001000011110000100110001110000011110101111111110,SFNGQJGEPQVEKZ-WDEREUQCSA-N
+O(C[C@@H]1CNC[C@H]1C(F)(F)F)C2=C(OCC)C=C(C=C2Cl)C#N,42C3A84A494D1856_B3ACB9BD62F1B522_6035_UN,9.359517,00000000000000000000000000000000000000000110000000000000000000000000000010000000001100110011000011001001001101001110000001000011110000100110001110000011110101111111110,SNJUGFIEDQKMQN-WDEREUQCSA-N
+O(C[C@H]1CCCN1CC(F)F)C2=CC=C(C=C2)C3NCCNC3,177342DC8FDDDE1E_6D3402D13194108D_6035_UN,9.358305,00000000000000000000000000000000000000000010000000000010000000100000000000010001001101100001000110101000100101010100001011100011110100100110001101011011110111100111110,WFJPUGVVOMKCGW-IURRXHLWSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2)CCN(C3=NC=C(CN)C=C3)CC4,87D212A57E424D61_FBF2B58E579F380E_7017_UN,9.357819,00000000000000000000000000000000110000100000000000010001001111101101000001010101111011101000101000101110011000111100011011101101111101011110001101111001011110110111110,VXGWPIHDMRQZKH-UHFFFAOYSA-N
+CC1(C)CNC1COC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,1E28CD1FCA2277AD_AAED2B6B9579EC57_6035_UN,9.356158,00000000100100000000000000000000000000000000000000000000000000100010000000100000001000100011000100101000100001011101101011000011110100000110011101010111110111101111110,SEDUQWGBJMFKKS-WBTZKQGOSA-N
+CC(C)[C@H]1[C@H](CCN1)OC2=C3C(=CC=C2)OCCNC3,858B513338DDEF66_5CCD61652B1DBD34_6035_UN,9.353992,00000000000000000001000000000000000000000000000000000000010000000000000000100000001100100111000111001100110011010100001011000011110110000110001110010111110011111111110,MBRWTCZPCILMGY-HOTGVXAUSA-N
+O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C5=C4C=CC=NC4=CC=C5Cl,0544271765BA5AD2_9C456C63996E50E2_6035_UN,9.353438,00000000000000000000000000000000000000000010000000000000010000000110000000000000000000010100000011100101010100001100001011000111110010100100000111010010100011010111110,VLVIHAWORVZAFO-HXUWFJFHSA-N
+FC1=CC2=C(C=C1)C=NC(=C2)NCCC3=CC(=C(C)C=C3)[N](=O)=O,2D5C1AA66B9625C5_1A341CE481CBDACE_6041_UN,9.352619,00000000000000000000000010000000000000100010000001000000100000010100001100000100001000010000001000101110110100010000001101101100001001110100001011011011010110111111110,GYIVCXBZWVJWPR-UHFFFAOYSA-N
+C[C@H]3CC(OC1=CC=C(C=C1)CCC2CCNCC2)C[C@@H](C)N3,2B0BBC965110E3A9_E2C689CB5A8FB9D5_6035_UN,9.351734,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001000001101000100010010101001011000011110110000110001101010101110111101111110,GLFAWMFVRVWHCX-NYTJIUQPSA-N
+CC1=CC2=C(C=C1)OCCN(C2)[S](C4=CC(=C3[NH]C=CC3=C4)C)(=O)=O,2EF550005EBAE75D_9BC5295A851068D6_6029_UN,9.351556,00000000000000000001000000000000110000000000000000010001011111001101000001010000010100101000001111001110011011011100011011101100111010001110001011111101110011111111110,PSTOQKFGSOXZPS-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C[NH]2)NCCC3=CC4=C(C=C3)OCC4,65B2292C832E3F29_B7ED7BE6EEBF9A77_6026_UN,9.351289,00000000000000000000000000000000110000000000000000010001011111001101010001000000011100001000001010001110111001011100011011001100101110001110001011111001110111110111110,NDFFRFUCDCDKOW-UHFFFAOYSA-N
+N3CCC(NC(=O)C2=CC1=C(C=CC(=C1)F)[NH]2)C34CCCC4,120BAA6CA7748B9E_D4FC9D70DADC9F21_6038_DP,9.350159,00000000000000000000000000000000000000000010000000000110000000000110000000000001101100010011100110001100110100111000011011000100110101100100001000010001011010100111110,VQWMXYQSBZGQQW-UHFFFAOYSA-N
+CC1=C(C=C([N](=C1)=O)NC2=CC(=C(OCCC)C=C2)C)[N](=O)=O,00114BCAC62CEF3C_F432B6027FCD7BEE_6041_UN,9.349395,00000000000001000000000010000000000000100000000001000000100000010100001100010100100000000000001100100010000011000111001101101111001011010100111111111111110111111111110,HAQHYQNGMHBWFA-UHFFFAOYSA-N
+Cl[S](=O)(=O)C1=CC2=C(C=C1)N(C(=O)C=C2)CC3=CC4=C(C=C3)CNCC4,55B4252074E09B99_34A68BED7F7060A1_6034_DP,9.349326,00000000000000000000000000000001000000000000000000010001001111001101000001010000011001101001100000101111111100111100011011101101111000101110001111111011011110110111110,SHBBYIINEPRRTD-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C(CCl)C(=O)N2CC3(CNCCC3)F,6237E877A7D17736_145A6BF9FCF5FE06_6034_UN,9.348807,00000000000000000000000000000000000000000010000000000000000000000110000000010000101001110011100000101101110100111100011011100101110000100110001111011011011110100111110,BJCLOOKYNLTIQD-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)C=CC2=C(O)C(=C(C=C2)Cl)I)C3,C850EB2F2C526D14_0601F3F2A2913067_7019_DP,9.346535,00000000000000000000000000010000000000000000000000000000000000000000000000000000001000110001000000111101110100010100001001000101110100100111000111010011110001100111110,CXVXZLPAFILIRC-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)C=CC2=C(O)C(=C(C=C2)F)F)C3,54A59BA030D407B4_7E2E32E45C1B1653_7019_DP,9.346532,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000110001000000111100110100010100001001000101110100100111000111010011110001100111110,FMQGWLNYKIZESR-UHFFFAOYSA-N
+CC1CNCCC2=C1C=C(C=C2)OCC3OCCN(CC(C)C)C3,B3CAC6B76BB040E4_16B1549ACF62A277_6039_DP,9.345858,00000000000000000001000000000000000000000000000000000000010000000000000010110000001001100000000101101100110011010101001011100011110010000110011111011101110101111111110,NQOBHBIXKQECKI-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)CNC2=O)C3=CC=C([N](=O)=O)C4=C3C=NC=C4,544405DBC717A547_80260C5FE8BDCB98_6003_UN,9.34473,00000000000000000000000010000000000000000000000001000000100000010100001100000000001100000001101011101110010000100100010111101111001001011100101111101001111011110111110,JKMHKBLSZDQGOO-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)NC3=CC4=C(C=C3)CNCCO4,F006470F41AA8E8F_67E42A68FDB60595_6026_DP,9.344498,00000000000000000001000000000000110000000000000000010001011111001101010001000000011100101000001111001110111001011100011011001100111111011110001011111001110011110111110,PUSBKFUFWDOYCR-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(C4=CC5=C(C=C4)[NH]C(=N5)C)=O,9EFB0636C2C332AB_58EDA75E42818D62_6038_UN,9.343297,00000000000100000000000000000000000000100000000000000000010000000110000000000101000100000000100010110100010000101100011011000100000111010100001011010001101011111111110,RHPSIHHEHSTPHT-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2CC#N)N[S](=O)(=O)C4=C3C=C[NH]C3=CC=C4,774AB771342546EA_ADCE18F133B063CC_6043_UN,9.343284,00000000000000000000000000000000110000000100000000010001001111001101010001000000010100001011001010000110011000011000010011001100001101011100001001001001000110110111110,MXPDUMSMWMCZMV-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC3=CC=CC4=C3CNC4,1A5B4FCFD665D7A7_9274DCB19A40C49E_6026_DP,9.341602,00000000000000000000000000000000110000000000000000010101011111001001010001000000111100101011001010001110011001001100011011001100011111011110001011111001110011110111110,LQZVTPHJTJNNPY-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)N(C=C2CC#N)CC4C[N]3C=CN=C3CNC4,65E44254ECBEA1D4_08AF07EC5395235E_6034_UN,9.341344,00000000000000000001000010000000000000100100000001000000100000010100001100010101101101100011001010001110010000010000000111101100111001010110001010001001010110110111110,VKNWVVUQRPNPBO-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NC3=CC=CC4=NON=C34,CD1D44EDD1A5F0EA_F149435CB0FFB896_6041_UN,9.338194,00000000100100000000000000000000000000000000000000000000010000100110000110000101100100100000011011000110010001001000100011001111001011010110001101100001110011111111110,ZLRVSSPBEDELRD-UHFFFAOYSA-N
+OC(=O)C1=C[NH]C2=C1C(=CC=N2)NC3C4=C(OCCC3)C(=CC=C4)F,23418EAB8E0CE3CD_024B295261106B04_6041_UN,9.336897,00000000000000000001000000000000000000100010000000000100010000000100000000000100100100010011000011100100110101010100001011010100000111110101001011110001111011110111110,AZLHZRWFJIVGTA-UHFFFAOYSA-N
+C[N]1N=CC(=C1)O[C@H]2[C@@H](CNC2)OC4=C3N=CC=CC3=C(C=C4)Cl,659B5613E94B73A6_1222968324E2FBB2_6035_UN,9.3352165,00000000000000000000000000000000000000000000000000001000000000000100000010010000101100110001011111101101010100000100000011101111010010100110001101001011110011111111110,HWSILLUCGAHLBY-HZPDHXFCSA-N
+C[C@@H]3C[C@H](OC1=C(C(=C(N)C(=C1F)F)F)F)C2=C(C=CC=C2)O3,144B37DE196E17DD_A140FAE98C43779C_6035_UN,9.332282,00000000000000000000000000000000000000000010000000000000010000000000000000000000000010010100000000100100010100000101000000000111000011110100000111000011100011111111110,CPMWMXAQVATMIR-XCBNKYQSSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC2=CC=CC3=C(OC)C=CN=C23,0B6D60CD05FE2EA1_7C09B3EAC513F47F_7022_UN,9.332186,00000000000000000000000010000000000000000010000001000000100000010100001100000001100000010000011001100110010100000100000101101111001001110100001111101011100011111111110,HSVJRNAMKKZIPW-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC2=CC=CC3=C(OC)C=CN=C23,BF99F11F095E43AC_37E141A87B782CDF_7022_UN,9.332174,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000010000011001100111010100000100000101101111001001110100001111101011100011111111110,KQMYSZXEULJJPO-UHFFFAOYSA-N
+N2CCC(F)(F)C(COC1=C(OC)C=C(C=C1Cl)C#N)C2,0C5B4910C975CBBC_91E4E5F966C50232_6035_DP,9.331176,00000000000000000000000000000000000000000110000000000000000000000000000010000000001000110011010001101001100101011100001001000011110000100110001111010011110101111111110,GPPHFZLMDPTTSJ-UHFFFAOYSA-N
+N2CCC(F)(F)C(COC1=C(OC)C=C(C=C1Br)C#N)C2,25796562389F5282_AFE214BDA471C5F5_6035_DP,9.3311615,00000000000000000000000000000000000000000110001000000000000000000000000010000000001000110011010001101000100101011100001001000011110000100110001111010011110101111111110,WYLRZXMJTJXXJM-UHFFFAOYSA-N
+N2CC[N]1N=CC(=C1C2)SC(=O)C4=C3C=C[NH]C3=CC=C4,9D7F50DACED32F99_CCE04EDF8C08F04F_6038_DP,9.3308935,00000000000000000000000000000000000000000000000000001000000100001100000000000001111100101001001010101100110000010000001011101100110100000110001011011001011010100111110,FYESJIIBXQFRDQ-UHFFFAOYSA-N
+C[N]1C=C(C=N1)[C@@H]2CNC[C@H]2COC3=C(C(=C(C=C3)Br)C)N,4710E058F1CD1CAA_0677413CEC5E3760_6035_UN,9.330738,00000000000000000000000000000000000000000000001000001000000000100100000000010000101110110011011111001000000101000100000011101111110101110110001110001111110111101111110,KDIMZSCROZDEIK-STQMWFEESA-N
+O(CC1=CC2=C(C=C1)OC(=N2)S)C4=CC3=C(CCNCC3C)C=C4Br,C0E5AACDD4E69F39_451F96C0738DA155_6035_UN,9.330191,00000000000000000001000000000000000000000000001100000000010100001100000000000000011100111000000110001100111111110101011011000111110100100110001111010011110111111111110,ZTZQPKLJGNVZID-UHFFFAOYSA-N
+FC1=C(C(=C(C(=N1)F)NC2=CC4=C(C=C2)OC3(CCCCC3)O4)F)F,B0C575876C975737_EED283F92ACF7397_6041_UN,9.329123,00000000000000000000000000000000000000000010000000000000010000000100000010000001000100010000000011100100010100001100001011010100110011110100001011010011100011110111110,OQBZQZOFHJFENJ-UHFFFAOYSA-N
+CC1(C)NCCC1COC2=CC(=C(C=C2)C(F)(F)F)C#N,BB56DED8384DEFF5_EE278514C73A2DE4_6035_UN,9.328105,00000000000000000000000000000000000000000110000000000000000000000010000000100000001100000011000011001000101111011100101001000011110000100110001110010111110111101111110,HFOKDEQADNUTRI-UHFFFAOYSA-N
+BrC2=C1C=CN(C(C1=CN=C2)=O)CC3=CC=C(C4=C3CNCC4)N,654D48E96A395D4A_9E94538C1782D451_6034_DP,9.3275795,00000000000000000000000000000000000000000000001000000000000000000100000000010000101011110011100001101100110100110100011011100101110101110110001111011011011110100111110,ONBHAJJRFVHZLP-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CN(CC2)[S](C4=CC(=C3[NH]C=CC3=C4)C)(=O)=O,E73247C19CABFD91_40903ACB6F261D9B_6029_UN,9.327181,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100101000011010101110011000011100011011101111111000001110001111111101110011111111110,UJPUTEUFUDFJRL-UHFFFAOYSA-N
+C2(=C1OC=CC1=CC(=C2)F)N[C@H]3[C@@H](OCC3)C4=CC(=CN=C4)Br,7A6FE9B75C5FB7EE_EF696B7A1104AC06_7022_UN,9.326155,00000000000000000000000000000000000000000010001000000000010000100100000000000000000100010011000111100100110101010000001011000100000011110100001001010011110011110111110,OSXLBFQPYFMFOQ-PBHICJAKSA-N
+O(C1(CC2(C1)CNC2)C(F)(F)F)C3=C(C=NN)C=CC=C3,818F32B60E0D4257_3948417E2B15CA47_6035_UN,9.326049,00000000100100000000000000000000000000000010000000001000000000000010010000000010001010100010001001001000011100001100000101001011100110100110001110000011110001100111110,AAZXZHRKPABGPD-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)[NH]C3=C2CNCC3)CC[N]4N=C(N)C=C4,9912B8AB9AFA6D76_521B03B94C459C08_6031_UN,9.325852,00000000000000000000000000000000000000100000000000001100000000000100000000010101101110100011001111101100110001010000001011111110110111010110001011011001011111110111110,WPBZUEQPGZTTEK-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC(=C(N)C=C2Br)F)C(F)(F)F,5094131DE1DEFF11_171E84E459CB364D_6035_DP,9.324672,00000000000000000000000000000000000000000010001000000000000000000010000000000000001010110001000000101000101110011100101001000011110101110110001111010011110011101111110,BRNUXHJTRPPNOC-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC(=C(N)C=C2Cl)F)C(F)(F)F,9877C1EBC44D58E3_1E36E930A91E8CBB_6035_DP,9.324657,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000000101001101110011100101001000011110101110110001111010011110011101111110,ZBDFRYDHRZMUSD-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC(=C(N)C=C2F)Cl)C(F)(F)F,DC308698C2140B46_AD05C2A3E6A901ED_6035_DP,9.324652,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000000101001101110011100101001000011110101110110001111010011110011101111110,DRLGFBKXTYLNBY-UHFFFAOYSA-N
+N3C[C@@H]2CC[C@@H](OC1=CC(=C(N)C=C1)OC(F)(F)F)[C@@H]2C3,23EA43E009F4D1AA_B23969C7F6A0B0FE_6035_DP,9.322623,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110100111000111001100011100001100001001000011110111110110001110010011110011110111110,YDYBVCBCRNYXOC-MKPLZMMCSA-N
+C1(=CC2=C(C=C1)[NH]C=C2)NC3=CC(=C(OC)C=C3)N4CCOC4=O,BB1F724587993AB9_854B7DBA44029391_6041_UN,9.321852,00000000000000000000000100000000000000000000000000000000010000100100000000010000100101000000010110001100011001110100011011110111000111010110001111111011111011111111110,VGJOCGFYYYBECB-UHFFFAOYSA-N
+BrC2=C1C=CN(C(C1=CC=C2)=O)CC3CNCCCN3,268BD8680ACB2FFA_133D71DD1F3140BE_6034_DP,9.320701,00000000000000000001000000000000000000000000001000000110000000000100000000010001101001110011100000101100110100110100011011100101110100100110001111011011011110100111110,XSZOHWZIGNAYBC-UHFFFAOYSA-N
+FC2=C1C=CN(C(C1=CC=C2)=O)CC3CNCCCN3,CA1F19314E31C6DB_0ABAF7CE3B3AAC32_6034_DP,9.320696,00000000000000000001000000000000000000000010000000000110000000000100000000010001101001110011100000101100110100110100011011100101110100100110001111011011011110100111110,YQEFLLSYDXRIGI-UHFFFAOYSA-N
+ClC1=CC(=O)N(C2=C1C=CC=N2)C[C@H]3[C@@H](CNC3)C4=CC(=CC=C4)F,ABC29EEE8CA97C33_AF1E323AF9D55CB5_6034_UN,9.320189,00000000000000000000000000000000000000100010000000000000000000100100000000010100101101110011100011101101010100100100010011100101110000100110001111001011011110100111110,LTWJXQVZVUCZLD-BBRMVZONSA-N
+N(C1=CC2=C(C=C1)C=C(O)C=C2)[S](C3=C[NH]C4=C3C(=CC=C4)C#N)(=O)=O,82045EA034484E76_70F2395BA7B36895_6029_DP,9.319707,00000000000000000000000000000000110000000100000000010101001111001101010001000000110100001000001011000110011000001100010001001101001101011101001101101001100011110111110,NYYWKJYQCVRCTI-UHFFFAOYSA-N
+N2CC(COC1=C(C(=CC=C1C#N)F)F)CC(C)(C)C2,5DB83494FD6C25E1_BF0D05C060787BAD_6003_DP,9.316366,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000110010000001101000000111001101000001000011100000100110001111000111110101101111110,NXDUNVACHJWCIQ-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC=C(C(=C2N)F)Cl,C0C0F7118457D7BB_5F2E8F5045A26225_6035_UN,9.315367,00000000000000000000000000000000000000000010000000000000000000000010000000110001001011110001000100101001100110011101101011100011110111110110011111011111110111101111110,WHIKQFFVIYIULW-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC=C(C(=C2N)F)Br,176D128212CAE45E_D7E37FC8A5A8D74C_6035_UN,9.315361,00000000000000000000000000000000000000000010001000000000000000000010000000110001001011110001000100101000100110011101101011100011110111110110011111011111110111101111110,DJPOXFBLXSBJPD-UHFFFAOYSA-N
+COC2(COCC#CC1=CC(=CC(=C1)F)C#N)CCNC2,345E4013292899E8_7E53FC98D645D49A_6039_DP,9.312998,00000000000000000100000000000000000000000110000000000000000000000010000010000000001100110011010111001000100111011000101001000011110010100110001100010001110101111111110,SHELIQSBPDFLFL-UHFFFAOYSA-N
+FC1=CC=C(S1)[S](=O)(=O)NC3=CC2=C(C=C[N]2C)C=C3,3075B21C0C4ABECF_D5FE0155FD4C6045_6026_UN,9.3074875,00000000000000000000000000000000110010000010000000010001001111001101010001010000110101011000011010000110011100001000010011101100001001111100001000001001000010111111110,DDIGSMPXQWRHGF-UHFFFAOYSA-N
+ClC1=CC=C(S1)[S](=O)(=O)NC3=CC2=C(C=C[N]2C)C=C3,FF863DB9F8238711_E11BD52653DE3009_6026_UN,9.307476,00000000000000000000000000000000110010000000000000010001001111001101010001010000110101011000011010000111011100001000010011101100001001111100001000001001000010111111110,AKYCSIAWPVBHCO-UHFFFAOYSA-N
+O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C(C5=C(C=C4)N=CC=C5)Br,99BDDFD316005C87_B01AAA0A43A02D48_6035_UN,9.30679,00000000000000000000000000000000000000000010001000000000010000000110000000000000000000010100000010100100010100001100001011000111110010100100000111010010100011010111110,YWQUUPGKMCYPAJ-FQEVSTJZSA-N
+CC1=C(C=C(C(=C1)F)NC2=C(C=C(OCC)C=C2)C)[N](=O)=O,414B58271BC70DE2_92C39CF0CF82B81C_6041_UN,9.306156,00000000000000000000000010000000000000000010000001000000100000010000001100000000100000010000001000000010000101000110000100101111001001110000011111101111110111111111110,ZGYUPAOHVFGESF-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(=O)C3=CC4=C(C=C3)[NH]C=N4,3471ADFA14E1D9BD_94CB32570162431A_6038_UN,9.305913,00000000000000000000000000000000000000000010000000000000010000000100000000000101000100010010100011100100110101110100011011000100000111100100001011010001111011110111110,ZYSIBAOJUNPJIS-CYBMUJFWSA-N
+N2CC(COC1=CC=C(C=C1C(F)(F)F)C#N)(C2)C#N,4029B56DB74633D2_44B73DC4574F5E91_6003_DP,9.305846,00000000100100000000000000000000000000000110000000000000000000000010000000000000101000100010000001001000001101001100000001000011100000100110001110000011110101100111110,CBQMBSVWZWUQBU-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)N(C=C2)CCOCCN3CCNCC3,620ADCAEE6983DAB_F2D703773600480E_6034_UN,9.305786,00000000000000000000000010000000000000000000000001000000100000010100001100010001001101100001001110101110110001010000001111101110111011010110001001111001010111110111110,ZOJUJIWTGDBZSW-UHFFFAOYSA-N
+N4CCOC1=C(C=CC(=C1)OC(=O)C2=CC=CC3=C[NH]N=C23)C4,6D965EDF67D9C2A1_55D71A9EE4334DB1_6038_DP,9.305686,00000000000000000001000000000000000000000000000000001000010000000100010000000000101100100100001111001100110001010100001011011111110110000110001111110001111011110111110,HRKMVRRDIRCSAM-UHFFFAOYSA-N
+[NH]1C=CC2=C1C(=CC=C2)SC(=O)CCCCC3=CC4=C(C=C3)OCO4,67E196BF96533DF0_DA78CB136EE84CFE_6038_DP,9.304264,00000000000000000000000000001000000000000000000000000000010100001100000010000000010100001000000010000100010001000100001011010100010010000100000011110001111111010111110,AAEZAWJTARDLJY-UHFFFAOYSA-N
+O(C(=O)C2=C1C(=C[NH]C1=CC=C2)C#N)CC4COC3=C(C=C(N)C=C3)N4,84CDF495C55DC1CC_2F12BA4CE80AA64C_6031_UN,9.303888,00000000000000000000000000000000000000000100000000000100010000000100000000000000100110000101000110100100110001010100000011010110000101010110001011100001111111110111110,SLKUBEKOXLCOBI-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)C(=O)N(C=C2)CCCCN3CCNCC3,EC56A4333027AD58_35DF260144B5D79D_6034_UN,9.30242,00000000000000000000000000000000000000000000000000000000000000000100000000010001001011100001100000101100110000110100011011100101110101010110001111011011011110100111110,BKBQSHHMRBTPNT-UHFFFAOYSA-N
+CC(COC1=CC(=C(C=C1C#N)F)N)C2CCNCC2,B976635784CD70CD_06A7091F071997E7_6035_UN,9.302025,00000000000000000000000000000000000000000110000000000000000000000000000000000000001010110001000001101000100111010101101001000011110101110110001111010011110111101111110,IIPNLSRREGZUOV-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=NC=CC1=C(C=C2)NC3=CC4=C(C=C3)OCCCO4,9716DB5B4C0E0DEF_20C35173329764C5_6041_UN,9.3007,00000000000000000001000010000000000000000000000001000000110000010100001110000000100000000100001001100110010001000100001111101100001011010110101011111001110011110111110,IMZLAMNBPWJSSZ-UHFFFAOYSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)N=CC(=C4)Br,2FFAF4FC97046393_216A506771A03B71_6035_UN,9.300369,00000000000000000000000000000000000000000000001000000000000000100100000000000000001100010011000111101100110100010100001011000111000010100100001101010011110011100111110,BWPOJOXFZXQQDV-RTBURBONSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)N=CC(=C4)Br,DAA417A9C632C759_C56BABDB24D74AAA_6035_UN,9.3003645,00000000000000000000000000000000000000000000001000000000000000100100000000000000001100010011000111101101110100010100001011000111000010100100001101010011110011100111110,HTEIBHHVPFFOMA-RTBURBONSA-N
+O=[N](=O)C2=C1C=CN(C1=CC=C2)CCOC3=CC=C(CN)C=C3,A1492837B25958D8_AEA4F5EEBAEAD3CB_6034_UN,9.29877,00000000000000000000000010000000000000000000000001000000100000010100001100010000101111000000001110001110010001010100001101101111001011010110001101111001110111110111110,FLWXRFWWRHZVBZ-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=C(CC)C=C(C=C2)C#N,C8810A39AEDA8807_CE3AADCF619B251C_6035_UN,9.298265,00000000000000000000000000000000000000000100000000000000000000000010000000100000001001100001010101101000100010011111001001100011110010000110011111011111110101101111110,AKSCOZMDDARQSO-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)N(C=C2)CC3=CC4=C(C=C3)C=CC(=C4)CC#N,88F21C23E4767593_4BBDFFEADAF1EA9C_6034_UN,9.298127,00000000000000000000000010000000000000000100000001000000100000010100001100010000000101000000001010001110010000010000000101101100001001010100001001001000010110110111110,NXKJBDGCXMKRHY-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)C3=CC2=C(C=C(OCCOC)C=C2)C=C3)C#N,D81E6397CFB2FC7F_685EB40D13CA1FA7_6004_UN,9.298043,00000000000000000000000000000000000000000110000000000000000000100000000010000000000000110000010000000100010101000101101000000111000010100010000111010110110101011111110,XJXXIMSRCVPCJP-UHFFFAOYSA-N
+CC1=C(C(C3=C(N1C[C@@H]2CC(C)(CN2)C)C(=CC=C3F)F)=O)C,15AEF816D694E94E_105319A02C5538C2_6034_UN,9.297484,00000000000000000000000000000000000000000010000000000000000000000110000000110001001101010011000011101100110110011101100011100101110000100110011111001111111110101111110,FWOZBMNELUSXEC-LBPRGKRZSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(N)C=C2Br)F,F208BA3FDAA7099F_CF908B4E487352C5_6035_UN,9.2968025,00000000000000000000000000000000000000000010001000000000000000000010000000110001001011110001000100101000100110011101101011100011110111110110011111011111110111101111110,SSAWEDMGWYFZKC-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(N)C=C2Cl)F,FFE100C0E6A31E2D_C6B8E69AB8A6E833_6035_UN,9.296801,00000000000000000000000000000000000000000010000000000000000000000010000000110001001011110001000100101001100110011101101011100011110111110110011111011111110111101111110,RKPBFSRJQADNTL-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(N)C=C2F)Cl,2DADA90B2F401D00_758BCD09F7116565_6035_UN,9.296797,00000000000000000000000000000000000000000010000000000000000000000010000000110001001011110001000100101001100110011101101011100011110111110110011111011111110111101111110,BMGBNMHXYLKGAA-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)SC=C2)[S](C4=C3C(=C[NH]C3=CC=C4)CC#N)(=O)=O,C0F68B3A8C9E3077_2E1CB85C9BEC1570_6029_UN,9.294056,00000000000000000000000000000000110010000100000000010001001111001101010001000000011100001011001010001110011000011000010011001100001100001100001001001001010110110111110,GZPMCRPNUWBJJN-UHFFFAOYSA-N
+COC1=C[N](=C(C(=C1)NC2=C(C=CC(=C2C)C)[N](=O)=O)C)=O,0CB5DE0F0DB9EFC0_81A1027B03D49CCC_6041_UN,9.292144,00000000000001000000000010000000000000000000000001000000100000010100001100010001000000000100011101100010000000000100000101101111001001010100111111101111100011111111110,XHIIXMWAFGKHEQ-UHFFFAOYSA-N
+O([C@H]1[C@@H](NCCC1)C(F)(F)F)C2=C(C)C=C(C3=C2C=CC=C3)N,5F2825E0EB214E5C_2CCC995F147D14AB_6035_UN,9.291345,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010000011000100101100111100011100001001000111100111110100001111010011110011101111110,NRIGPGITLJWDQM-GDBMZVCRSA-N
+C1(=C(C=C(C=C1Cl)F)Cl)O[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)C(F)(F)F,8307A5F6B9017A9C_DF1E799B11F521CA_7022_DP,9.291115,00000000000000000000000000000000000000000010000000000000000000100000000000000000001000110001000100101001101100011100001001000111110010100110000111010011110001100111110,OSMYCWAVXRAGLP-CZUORRHYSA-N
+C1(=C(C=C(C=C1F)F)Br)O[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)C(F)(F)F,E4BE79BF885B29EA_3A5909E25D4B667F_7022_DP,9.29111,00000000000000000000000000000000000000000010001000000000000000100000000000000000001000110001000100101000101100011100001001000111110010100110000111010011110001100111110,RXXSRYBXCRRMIC-CZUORRHYSA-N
+C1(=C(C=C(C=C1F)F)Cl)O[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)C(F)(F)F,F1064BB32E1D90B8_903A0EC0E1FB60D0_7022_DP,9.291095,00000000000000000000000000000000000000000010000000000000000000100000000000000000001000110001000100101001101100011100001001000111110010100110000111010011110001100111110,NEYFNQFWFAHZEB-CZUORRHYSA-N
+CC1=C(C3=C([N]1CCCC2CCCN2)C=CC=C3)C4=CCNCC4,68417FF9C37B8A04_28FD4BEAE936716B_6034_DP,9.290239,00000000000000000000000000000000000000000000000000100000000000100100000000011000001101100011000010111100110010010000101011100100110100000110001011011011010110101111010,KKSUHURNLSYXJA-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=C(C(=CC=C2)C#N)Br,CDF98E5D0C6F8AE7_C499DC4020B0E401_6035_UN,9.289511,00000000000000000000000000000000000000000100001000000000000000000010000000110001001001110001000100101000100110011101101011100011110010100110011111011111110111101111110,QWRKJKNGHDHPHM-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)OCC2)[S](C3=C[NH]C4=C3C=C(F)C=C4)(=O)=O,DC9067D9922F6C5C_F7E4BB7CEB83F17C_6029_UN,9.2883835,00000000000000000000000000000000110000000010000000010101011111001101010001000000111100011000001011001110011101001100011011001100101110101110001011111001110111110111110,QIGVGWDVOYQAER-UHFFFAOYSA-N
+CC1=CC=C(C#N)N1CC2CNCC(OCCOC)C2,327FCB94930BB30F_2B9EFD0077A12E0E_6034_UN,9.287242,00000000000000000000000000000000000000000100000000000000000000000100000010010001101101100011010110101000000001000001101011100011110010000110001110011111110111111111110,NQVXTFZQYAQNCP-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2F)F)C,40A209C85BF3F1D3_E97305ECADE3FD21_6041_UN,9.287071,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010000001001000010000100000000000100101100001001110000001011001111000010111111110,UFAIGWHVIAQSNX-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)[NH]C=C2[S](=O)(=O)NC3=CC=CC4=C3CCNC4,A0A62661E2E399E1_797B6ED1AC36999B_6026_DP,9.286641,00000000000000000000000010000000110000000000000001010101101111011101011101000000111100101011001011101110111000011000011111101100111101011110101011111001010010110111110,JWDXIDFQXDKXKO-UHFFFAOYSA-N
+O(CC1=C[NH]C2=C1C(=CC=C2)F)C3=C(C(=CC=C3C)F)[N](=O)=O,50F45E169807C5B0_7C0A4E2CFB039A75_6003_UN,9.285734,00000000000000000000000010000000000000000010000001000000100000010100001100000000000100010111001111000110010111000100000101101111001001110100001111101011110111111111110,QLZAJMYXFQMUCW-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C(CCl)C(=O)N2CC3(COCC(C)(C)N3)C,B91A8AA73392A9C5_6B74CF11FB4659E8_6034_UN,9.285704,00000000000000000000000000000000000000000010000000000000010000000110000000110001000001110001100101101101110111111101010011100101100000100110011111001111011111111111110,KOOAHOIELFXCCS-UHFFFAOYSA-N
+N2CC(OCCC1=CC=C(OC(F)(F)F)C=C1)(C2)C#N,C20890ABB7700F68_4AF05C6C21A3C652_6039_DP,9.284552,00000000100100000000000000000000000000000110000000000000000000000010000000000000101000100011000100001000001101001100001001000011110010100110001100010001110101110111110,FKCMYYAPIJSNGF-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1OC(=O)CC2=CC3=C(C=C2)C=N[NH]3)C4,2421142892B80BD0_6E1E477EF1BE52AC_6038_DP,9.283812,00000000000000000000000000000000000000000000000000001000000000000100010000000000101100100001001010101100110000010100001011011111110110000110001111010001111111110111110,TYQQIRDTXNUKMK-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)N2CC#C)NC4=CC3=C(N=C[N]3C)C=C4,7599272AA0214826_35819BC4331150F5_6041_UN,9.283429,00000000000000000100000000000000000000000000000000000000010000000100000010010101100101000000110110101100010001110100010011100101010011010110001111001011111111111111110,QMYPKHNWHZEFIA-UHFFFAOYSA-N
+O(C[C@@H]1CC[C@@H](N1)C(F)(F)F)C2=C(C=C(C)C=C2C)Br,36F1839624D1645D_85014C35F008EE6C_6035_UN,9.283118,00000000000000000000000000000000000000000010001000000000000000000000000000000000000100010010000110000000101111011100001001000011110000100100000110010111110111101111110,CTTUEKNCPJLJNM-CMPLNLGQSA-N
+FC2=C1OCCC(C1=CC(=C2)NC3=CC4=C(C=C3)[N](O)N=N4)=O,252B2ECCCC20579C_A1830DEC748F1904_6041_UN,9.282632,00000000000000000000000010000000000000000010000000001000010000000100011100010101100100010100001111100110010101000100011011101101001111110101001111111001111011110111110,LDGREWXAFIWHHP-UHFFFAOYSA-N
+CSC1=NC=C(S1)NCC2=C(N(CCOC)C)C=CC=C2,C0C8C8BE73D39A2B_6375BAC1ABB04925_6041_UN,9.281691,00000000000000000000000000000000000010000000000100000000000100001100000000000001111101101000010110001000001011010001101011100110100011010110011010011111010111101111110,NNRPTXJPEALMMO-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)CC[S]2(=O)=O)C(=O)C4=C3[NH]C=C(C3=CC=C4)C#N,5E6E4EB3A63D6C0C_596B23B7FB253077_6038_UN,9.281678,00000000000000000000000000000000000010000100000000010101001111000101000001000000110100001000100011000110010000101000011011001101001111011100001111111001011010110111110,CITUHTHIJZKHAN-UHFFFAOYSA-N
+ClC2=C1N(C3=C(C1=CC=N2)CCCC3)CC=CC4=CC5=C(C=C4)OCO5,06F571EFD3EAAF81_D6C4B789639C354F_6034_UN,9.281549,00000000000000000000000000001000000000000000000000000000010000000100000010010001000101010000000010111101010101010100001011110100110000100110001011011000110111110111110,OHFJMBYZNYBRFX-UHFFFAOYSA-N
+N(C2=C1[NH]C=CC1=CC=C2)C(C3=CC(=C(SC)C=C3)[N](=O)=O)=O,965BEBBA1D1201C0_CE309BB266A958E9_6038_UN,9.281267,00000000000000000000000010000000000000000000000001000010100100011100001100000001010100001000111010000110010000100000010101101100001101011100001011101011001010111111110,JXIJPJWRJDYBOY-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NCC3=C(SC)C=CC=C3F,AA72F0ED0D604345_0942520E2A6BCACE_6041_UN,9.279789,00000000000000000000000000000000000000000110000000000100000100001100000000000000111100011000010010001100010110000000000001000100000101110100001011000011010110101111010,SHUAKRCMEAGQST-UHFFFAOYSA-N
+C2(=CC1=C(C=CC=C1)[NH]2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,76673DA5BDE1870A_FEFE5DBEF43500A2_6041_UN,9.279097,00000000000000000000000000000000000000100011000000000000010000100100000000010100000101110000000110101100010101010000001011100100110111110110001011011011010011100111110,HLECCPIFENHQKD-UHFFFAOYSA-N
+O(C[C@@H]1CCCN1CC(F)F)C2=CC=C(C=C2)C3CNCC3,81F682DC500BED35_FA778548FE5DE40E_6035_UN,9.274232,00000000000000000000000000000000000000000010000000000000000000100000000000010000001101100011000110001000100101010100001011100011110000100110001100011011110111100111110,CGUCDBLZOUQSOH-LOACHALJSA-N
+O(CC1CNCCC1(F)F)C3=CC2=C(N)C=CC=C2C=C3,201A365E9780E9C8_E844C91E889E025A_6035_UN,9.27292,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010110011000001101100110101011100001001000111110101110110001101010011110111100111110,TWGPNTIOCWIHAP-UHFFFAOYSA-N
+C2COC1=C(C=CC=C1)CN2[S](C3=CC4=C(C=C3)[NH]C(=C4)C#N)(=O)=O,50B5718064860885_047FD09B9934CCCF_6029_UN,9.272448,00000000000000000001000000000000110000000100000000010001011111001101000001010001010100101000001111001110011001011100011011101100111010001110001011111001110011110111110,ZVZCQTCXDVDBFP-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)C2=CC=C(C=C2)C3(O)CCC3)C#N)N,B509BBCBE59A5DFA_E737482AC36D4A3A_6006_UN,9.271847,00000000000100000000000000000000000000000100000000000000000000100010000000000000100010000011000000000000100000001000001000000101000111010001001111010011100011101111110,OIGAZXAKUKYFHT-UHFFFAOYSA-N
+ClC1=NC2=C(C=C1)N(C(=O)C=C2)CCC3=CC4=C(C=C3)COCC4,1FB77E42B0EC5B85_D8BA220528E6FEDA_6034_UN,9.271811,00000000000000000000000000000000000000000000000000000000010000000100000000010001000001110000100000101101010101110100011011100101110010100110001111011010011111110111110,JFWVMZWNLOGJCP-UHFFFAOYSA-N
+CC(C)(C)[C@@H]2CCN[C@H](COC1=C(C=CN=C1Br)C#N)C2,42BCB5218C1335DD_51DF3AA1E35D09C0_6035_UN,9.271357,00000000000000000000000000000000000000000100001000000000000000000110000000100000001000010001000101101000100111011100101011000011110000100110011111010111110111101111110,AWHYIPHCSRWETI-OLZOCXBDSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C4=C3C=CC(=CC3=NC=C4)Cl,714AD6D07154A04D_9282FACB67823011_6035_UN,9.270977,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100110011000111101101010100000100000011000111110010100110001101000011110111100111110,SVYZEZMEMVKZBL-FOIQADDNSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C4=C3C=CC(=CC3=NC=C4)Br,BB48D4D2571DCD11_CB96422BE5D543CC_6035_UN,9.270967,00000000000000000000000000000000000000000000001000000000000000000100000000000000001100110011000111101100010100000100000011000111110010100110001101000011110111100111110,HCLJFOUVOYZFRJ-FOIQADDNSA-N
+O=[N](=O)C1=C(N=CC=C1)NC3=C(SC)C=C2OCCOC2=C3,A29F7C05D0539640_C35ACCEF79413BC1_6041_UN,9.270408,00000000000000000000000010000000000000100000000001000000110100011100001110000101010000001000011001100110010001000100001111101100001011010110101011111011110011111111110,YPTGYISCTWZHLK-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)CC#N)NC3=CC2=C(C=C[N]2C)C=C3,B68A827859EA62DE_82013F9EE787E74F_6026_UN,9.270104,00000000000000000000000000000000110000000100000000010001001111001101010001010000110101001000011010000110011000011000010001101100001001011100001001001001000110111111110,RBRIRDWFMNLCRP-UHFFFAOYSA-N
+C1OCCN(C1)C3=CC2=C(C=CC=C2)N3CC(OC)CN,692C711834269DCC_965B4B036F5BFC13_6034_UN,9.269642,00000000000000000000000000000000000000100000000000000000010000100100000000010100101111100010010110101100010001010000101011100110110011010110001011011011110111111111110,NDPZPKHMDKRCGX-UHFFFAOYSA-N
+COC(=O)C3(C=CC1=CC2=C(C=C1)[NH]C=C2)CN(C)C3,015D19C3F0E2F3C0_30C21B61B1AF79AF_7019_UN,9.268022,00000000100100000000000000000000000000000000000000000000000000000110000000010000000101100000010011011100010010001001000011110110000000000110001000001101011011111111110,LBFTYORFHKPXSJ-UHFFFAOYSA-N
+C2(=C1OCCC(C1=CC=C2)=O)NC4=C3C=NC=CC3=C([S](C)(=O)=O)C=C4,087979D57201F944_4B359B2E0F3EAAAE_6041_UN,9.26755,00000000000000000000000000000000000000000000000000010001011111001101000001000000110000001101010100100110010001001100001011001101001011011100101111111001111011111111110,AFSNJQGJGYHUAO-UHFFFAOYSA-N
+O(CC1(CC1)C2=CC=CS2)CC3=CC(=C4C(=C3)OCO4)C5=C(C)[N](N=C5)C,B2D7274312B4FF7D_FA3E8748653ABA3D_6039_UN,9.267542,00000000000000000000001000001000000010000000000000001000010000100110000010010000110100101000011010000100010001001100000011111110110000000110001010111110110111111111110,CFVMWSBGSMYOGQ-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NC3=CC(=C(OC)C=C3)N4CCC[S]4(=O)=O,1FBC05E26E556B9E_3F082CEF337D1C48_6041_UN,9.267248,00000000000000000000000000000000110010000100000000010001001011100101000001010000110100001000011110101110011000011100011011101111011011011110001111111011110011111111110,CMXWFDSQNJUFMM-UHFFFAOYSA-N
+O([C@@H]([C@H]1NCCC1)C2=CC=CC=C2)C3=C(C=C(C(=N3)Cl)Cl)Cl,C31FABD6AA8E5BDA_81E8DE9EF8648CFE_6035_UN,9.267201,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100010011100110101001100100110100011011000111010000100100001111010011110011100111110,SSSOKOSHKCVLHL-UONOGXRCSA-N
+O(C1=CC2=C(C=C1)OCC2)C4=C([N](=O)=O)C3=C(N=CC=C3)C=C4,3A921FFB273FFC4C_D3267EED577D10CD_6003_UN,9.266891,00000000000000000000000010000000000000000000000001000000110000010100001100000000100100000100001110100110010001000100001111101111001011010100101111111010110011110111110,QKIGJUISLSVVFJ-UHFFFAOYSA-N
+CC(C)(OCC1=CC2=C(C=C1)COCC2)C3=CC4=C(C=C3)[NH]C=C4,AEDEE12500C3960B_2916A2F6BDF4FF50_6039_UN,9.266748,00000000000000000000000000000000000000000000000000000000010000000110000000100000000100100000000010100100010001001000101011000110110010000110000011010101110111011111110,HMXXYDQQSLYJPM-UHFFFAOYSA-N
+CNCC2=C1C=CN(C1=CC=C2)CCC3=CC=C(C=C3)[N](=O)=O,7699A90501F5FEE0_65BC0156C3B9A61C_6034_UN,9.265393,00000000000000000000000010000000000000000000000001000000100000010100001100010000001101100000011010001110010000010001001101101100001001010110001001011001010110111111110,SGPJQCJHRLFGKJ-UHFFFAOYSA-N
+O(C1(CNC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3F)C#N)Br,82B792766F62064E_FBE82F6A697DDD74_6035_UN,9.263618,00000000100100000000000000000000000000000110001000000000000000100010000000000000001000110010000100001000000100001100000001000111000010100110001111000011110001100111110,NVORVCKELWDRMK-UHFFFAOYSA-N
+O(C1(CNC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3Br)C#N)Br,99E598D566ED3D87_013BD01A421045CC_6035_UN,9.263617,00000000100100000000000000000000000000000110001000000000000000100010000000000000001000110010000100001000000100001100000001000111000010100110001111000011110001100111110,QFSRNJZUWSEIQK-UHFFFAOYSA-N
+O(C1(CNC1)C2=C(C=CC=C2F)F)C3=C(C=C(C=C3Cl)C#N)Br,6D9D7BF96F73DDEF_B9B33DACDF2267D5_6035_UN,9.263611,00000000100100000000000000000000000000000110001000000000000000100010000000000000001000110010000100001001000100001100000001000111000010100110001111000011110001100111110,WEYNHGLHWJFIJG-UHFFFAOYSA-N
+ClC1=CC=C(C=C1)N2C(=O)N(C3=C2N=CC=C3)CC4C(CCNCC4)N,FA6559E045BB22BC_EE4C673DF7A463BD_6034_DP,9.263462,00000000000000000001000000000000000001100000000000000100000000100100000000010101101111110011000011101101111100110100011011100101110101110110001111011011011110100111110,UEWFYLQFWDVWSD-UHFFFAOYSA-N
+COC1(CN(CCC1)CCC#C)COC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,965CAB1535E7DEEE_AA434E611CB176E3_6035_UN,9.2629795,00000000000000000100000000000000000000000000000000000000000000100010000010010000001001100001010101101000100011011101101011100011110010000110001101011111110101111111110,XXSANPGRNBNGCV-BSJAROSPSA-N
+[S](=O)(=O)(C1=CC(=CC=C1)C#N)NC3=CC2=C(OCCNC2)C(=C3)Br,36206508929F5B7E_9E6DF306910FF7AE_6026_DP,9.261993,00000000000000000001000000000000110000000100001000010001011111001001010001000000011000111001001101001110111101011100011011001100111111111110001011111001110011110111110,GONWEMFCMNYZBL-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4CN(C4)C5=NC=C(C=N5)F,0644181A755A5A8B_3CB90369233E4CCC_6038_UN,9.261968,00000000100100000000000001000000000000000010000000000000010000100110000000010100100001110010100001111100011100101100011011100100000011110110001011011001111011110111110,QPUIPOQIVYUZEB-UHFFFAOYSA-N
+N2CC(COCC1=C(OC(F)F)C=C(C=C1)C#N)(C2)C#N,D2DF7CE0C286B8C1_AE4D2837C473BA5E_6039_DP,9.261402,00000000100100000000000000000000000000000110000000000000000000000010000000000000101000100110000001001000001101001100000001000011100000100110001110000011110101110111110,ZFXIAISOYWXXAR-UHFFFAOYSA-N
+CCC1(CNCC1)OC2=CC4=C(C=C2)NC3=C(C=CC=C3)C4=O,A4DCD29924E9E6E8_B149D66EAFA3EA8E_6035_UN,9.260524,00000000000000000000000000000000000000000000000000000000000000000110000000000000001100100011000111101100110010011110101011000111110110000110001101010001111111111111110,DAZWJDFVJWNBSC-UHFFFAOYSA-N
+N(CC1=C(C(=NC=C1)Cl)F)C(=O)C3=CN2C(=NCC2)C=C3,B698B3D166951E04_98D0BDEA7AD4340F_6038_UN,9.259632,00000000000000000000000000000000000000100010010000100000000000000100000000001111101101010000100011111101010100110000011111100000000000100110001011011011011110100111110,CPZGBGCSAJPLAK-UHFFFAOYSA-N
+NC1(CC(C1)(F)F)COC2=CC=NC3=C2C=C(N)C=C3,3B4891140F84CAC2_2579EB5419146C3A_6035_UN,9.2582,00000000000100000000000000000000000000000010000000000000000000000110000000000000000010010001000101100100110101011100000001000111100101110100001101000001110111100111110,CPJAFWPSIHRABU-UHFFFAOYSA-N
+NN4C=NC1=C(C=C(C=C1)NC(C3=CC2=CC=CC(=C2O3)OCC)C)C4=O,55A644AFC018C40A_6C45ED763A2D1827_6041_UN,9.257722,00000000000000000000000000000000000000000000000000001000010000000100010010010101100110000000101111100100010001100110010011101111000101010100001111101111111111111111110,UTSNQSHLPQQOJH-UHFFFAOYSA-N
+N2CCC(CCCCCOCC1=C(F)C=C(C=C1F)C#N)CC2,EB6058E4FDF859F4_D14AC52327B547DE_6039_DP,9.256098,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101000100101010000001001000010110010100110001011010011010101100111110,GRVNHGGMEGCLJT-UHFFFAOYSA-N
+C[N]1C=CC2=C1C(=CC=C2)NC3=CC(=CC(=C3[N](=O)=O)OC)F,C90766B1466DB8EB_8426F08D09587B04_7022_UN,9.255813,00000000000000000000000010000000000000000010000001000000100000010100001100010001000101010100011111000110010100000100000101101111001001110100001111101111100011111111110,HJMPJFGYBMZFJF-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CC=NC1=CC=C2NC4=C(SC)C=C3OCCOC3=C4,61D95290AFDECE70_86CE472A3EA5180E_6041_UN,9.255589,00000000000000000000000010000000000000000000000001000000110100011100001110000001110000001000011001100110010001000100001111101100001011010110101011111011110011111111110,GHWBHKVLHKYXSC-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)SC(=C2)[S](=O)(=O)NC3=C4C(=C(OC)C=C3)C=CC=C4,23CF06EF56581794_ABA4AA9E220FF497_6026_UN,9.253708,00000000000000000000000000000000110010000010000000010001001111001001010001000000010100011000011010000110011100001100010000001111001001111100000101101001100011111111110,RDQWSBWMIIKDCB-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)SC(=C2)[S](=O)(=O)NC3=C4C(=C(OC)C=C3)C=CC=C4,5DDABCFAA659FCFB_0BEEE8F12A0780DE_6026_UN,9.253702,00000000000000000000000000000000110010000000000000010001001111001001010001000000010100011000011010000111011100001100010000001111001001111100000101101001100011111111110,IPLCAYQNYRLNCA-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=C(OC)C=C(C=C2)SC#N,9280127A6BA75364_05ED70A04A3B4CFD_6035_UN,9.251515,00000000000000000000000000000000000000000110000100000000010100001000000010000000011000101010010101101000001101001100000011000011100010100110001111100011110101111111110,JPRFKESZFHGSOG-UHFFFAOYSA-N
+C[N]1C=CC(=C1)COC2=C(C=C(CCN)C=C2)[N](=O)=O,3433A7525DDC315C_622349A0EE80CCC9_6035_UN,9.25072,00000000000000000000000010000000000000000000000001000000100000010100001100010000001111000100011111001010100011010100001101101111001001010110001110111011110111111111110,WFQMYUDQIOUHRO-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)NCCNCCOC,1297D4B0F78595E1_E4C0399AF8C9539B_6041_DP,9.250573,00000000000000000000000000000000000000000000000000000010000000000000000000010001001101100001110110001100110001110001111001100111110111010110001101011111011111111111110,ZEENXFAGVJPPJO-UHFFFAOYSA-N
+FC1=CC5=C(C(=C1)NC2=CC4=C(C=C2)OC3(CCCCC3)O4)C=CN=C5,BE0982E725C84E45_E2C3006943FD81EF_6041_UN,9.249728,00000000000000000000000000000000000000000010000000000000010000000100000010000000000100010000000011100100010100001100001011010100110011110100001011010001100011110111110,PKNATXHDAJMIJG-UHFFFAOYSA-N
+CC1CNCCC1C=CC2=CC(=C(C=C2)OCC=C)Cl,DF88D5766BE424B2_CF066FEACFFFA713_7019_DP,9.249409,00000000000000000000000000000000001000000000000000000000000000000000000000000000001000110001000000111001100111010101101001000011110000100110000111010011110101101111110,NFIFXTQTSFBYKR-UHFFFAOYSA-N
+O=C1C=CN=C(N1CC3=C2N=CC=CC2=CC(=C3)Br)C4CCNC4,557444B870B77E42_21F527FD62FE38CF_6034_UN,9.246917,00000000000000000000000000000000000000100000001000000000000000100100000000010100101101110011100011101100110100110100011011100101110000100110001111011011011110100111110,MUPLZWBZHSLKEM-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=NC=C2)NC3=C(OC)C=CC=C3[N](=O)=O,2F620E0B6221C59C_CF566A8A2135FC8E_6041_UN,9.246178,00000000000000000000000010000000000000000000000001000000100000010100001100000001000000000000011101100110010000000100000101101111001001010100001111101011100011111111110,QPFWUANYLSMJJI-UHFFFAOYSA-N
+FC1=CC4=C(C(=C1)N[C@@H]2CCN(CC)[C@H]2C3=CC(=C(C(=C3)F)F)F)[NH]C=C4,293154D83244ECD3_FC328B9F3C23CF46_6041_UN,9.245649,00000000000000000000000000000000000000000010000000000010000000100100000000010001100101110011000010001100110110010010101011100100110101110110001011011011010110101111010,STPSAARUYRACBJ-UZLBHIALSA-N
+C[S](=O)(=NC1=NC(=CC=C1)NC2=CC4=C(C=C2)OC3(CCC3)C=C4)C,3B30726B9129E93E_030C0B17A13C883B_6041_UN,9.245408,00000000000100000000000000000000110000100000000000010000011011000111000001100100100000101000011001110110010000001100011111001100001011010100001011011101100011111111110,VDMKOHQDBIKTQJ-UHFFFAOYSA-N
+N(C1CCOC2=C1C=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C(=O)NN4,83B77841AF9087D0_BCD0B630ED905480_6038_UN,9.243963,00000000000000000000000000000000000000000010000000001100010000000100110000000000100100010010101111100100110101110100011011001101000111101100001111110001111011110111110,URFLVTPHZBCRRJ-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3=C(C)C=C(C=C3C)C#N,469E577CD573C4EF_8A1A342A475D7CFA_6039_UN,9.243188,00000000000000000000000010000000000000000100000001000000100000010100001100000000100100000100001110000110010001000100100101101111001001010100001111101111110111111111110,QSVCULMRDPEHLI-UHFFFAOYSA-N
+CCC2=CC(=O)C1=C(C=CC(=C1)N)N2CC3(F)CNCC34CCC4,021C92A7619D44BF_C4BAAA1F763D603F_6034_UN,9.2425165,00000000000100000000000000000000000000000010000000000000000000000110000000010000101111110011000011101100010110011110001011100101110101110110001111011011111110101111110,ADLBSBSRMCSEKL-UHFFFAOYSA-N
+[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCC3=CC=C(OC)C=C3,0CA7F8EA4D681583_3F2FDBDB4C27CBF5_6026_DP,9.241179,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100001000011010001110011000001100010001001111001100001100001101101001110111111111110,OGXDPDYBDZTIRY-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C(=CC=C3)C4=CN=CC=C4)F,DFE6D58A0AB59B89_6B5BDA10C7D783D5_6035_UN,9.241131,00000000000000000000000000000000000000000010000000000000000000100100000000000000001100110001000111101000000100000100000011000111010010100110001111000011110001100111110,HSXYSPQBRXBOMB-AZUAARDMSA-N
+CC1=C(C4=C(N1C[C@@H]2CNC[C@H]2C3=CN=C[N]3C)C=CC=C4Br)C,8284157D1E8BBEC8_81B347FDCC635044_6034_UN,9.241059,00000000000000000000000000000000000000000000001000000000000000100100000000010101101101110011010010001100010110000000100011100100110000100110011010001111010110101111010,UKTAPUODNCIRNF-LSDHHAIUSA-N
+BrC1=CC2=C(C=C1)N(C(=C2)C#N)CC3NCC(C3)(F)F,74F7C55B672DBA1F_9AF555E528F1B00F_6034_UN,9.240963,00000000000000000000000000000000000000000110001000000000000000000100000000010001001101010011000010001100110100011000000011100100110000100110001010001011010110100111010,DRFOSFNHXXOMIB-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C(=C2)C#N)CC3NCC(C3)(F)F,1A29496C89B66D75_824F14177D8EAF8C_6034_UN,9.240959,00000000000000000000000000000000000000000110000000000000000000000100000000010001001101010011000010001101110100011000000011100100110000100110001010001011010110100111010,QIEHOBKMNPEQGD-UHFFFAOYSA-N
+NC1=C(C=C(C(=C1)C2=CC(=C(C=C2)C#N)C3CC3)C#N)N,6A86AB3DA93849AD_3F91F85DCC17A79F_6004_UN,9.238615,00000000000000000000001000000000000000000100000000000010000000100000000000000001000010000000000000000000000000000000000000000100000101010000001011010011000010100111010,NPQMHTGNROULJF-UHFFFAOYSA-N
+O(CCC[C@H]1NCCC1)C2=C(C=C(CCOC)C=C2)Cl,4FD6B05BA74109DC_CC33AB45DEF0377D_6035_UN,9.238283,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100110011010010001001100101010101101001000011110010100110000110010011110111111111110,NXLRKXJGDUDGML-AWEZNQCLSA-N
+N(CC2=C1OCOC1=CC=C2)C(C4=CC3=C(C=C(SC)C=C3)[NH]4)=O,0875F08569AEC43F_8FC1ACFD76E74254_6038_UN,9.237541,00000000000000000000000000001000000000000000000000000010010100001100000010000001011100001001110111001100010001100100010011010100100100000110001011100001111111111111110,ZXTJDRTVIPOXFZ-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(=CN2C3=CN(C)C(=CC3=O)CN)CCN,84472F041B7C1476_6F8B62A77877F19B_6034_UN,9.235079,00000000000000000000000000000000000000000000000000000000000000100100000000010001001111000000010111101100110000010100101011100111000101010110001111011111111111111111110,UQMCENCAEPBRMV-UHFFFAOYSA-N
+N4([S](=O)(=O)C2=C1C=C[NH]C1=CC=C2)CCN(C3=C(C=C(CN)C=C3)F)CC4,FB10D1B9C7C4DB16_A891118294E84CBA_7017_UN,9.233997,00000000000000000000000000000000110000000010000000010001001111101101000001010001011111111000001010101110011100011000011011101100111101111110001011011011010110110111110,FCNPADNRQXNQTC-UHFFFAOYSA-N
+C(C1=CC2=C(C=C1)N=CC=C2)=CC3=C(Cl)N=C(S3)N4CCCC4,3B5B5A9DF7174F1D_10453C0D62F9970A_7019_UN,9.233515,00000000000000000000000000000000000010000000000100000000000000100100000000010100010101111000000010111101011100010000001011100100010001110110001011011010010010100111010,SFYVZSNXDDFUKC-UHFFFAOYSA-N
+FC2=C(C=C1C(=C[N](C1=C2)CCC(C)C3CCNCC3)CC#N)F,29AFD16197BAF80F_E7A1BE29A518C3EA_6034_DP,9.232739,00000000000000000000000000000000000000000110000000000000000000000100000000010000001101110001000010101100110110010001101011100100110000100110001011011011010110101111010,PLFWDBIWIQWUBW-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC3=CC4=C(N=C3)CCCC4,AEF243527FEE910E_4B16F33B280CBD89_7022_UN,9.231455,00000000000000000000000000001000000000000010000000000000010000000100000010000001000100010001000011100100010101010100001011010100110001110100001011010011110011110111110,CFSPAQQYLDYPKY-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCC4=CC=C(CC)C=C4,A754D295B8C87836_4E2C53A308B43AFD_6026_UN,9.231225,00000000000000000000000000000000110000000000000000010001001111001101010001010000011101001000011010001110011000001010010001101100001000001100001001001101010110111111110,BYCFAXYZNCBXOK-UHFFFAOYSA-N
+NCC2=CC1=C(C=CC=C1)N(C2=O)CC3(OC)CNCC3,9A114484C2652ADA_ED27AE06413394DA_6034_UN,9.231106,00000000000000000000000000000000000000000000000000000000000000000110000000010000101111100011110111101100110010111100111011100111110110000110001111011011111111111111110,RMCMHLZTPOUXTI-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC=N2)NC3=CC(=CC(=C3)F)N4CCCC4,5DC3B2A543C26396_0C5295C1374CCFEB_6041_UN,9.2309675,00000000000000000000000000000000000000100010000000000100000000100100000000010100100101110000000010101100010100010000001011100100010101110110001001011001010010100111010,KWCYINBQAJFYEP-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC(=CC=C2C(F)(F)F)C)C#N)CC3,CF5AACF8985E63BE_BEEACE14922B06C0_6003_DP,9.226936,00000000000000000000001000000000000000000110000000000000000000000010000000000000001000100001000001101000111101011100001001000011110000100110001111010011110101101111110,ZQZFHDFUHRYGFJ-UHFFFAOYSA-N
+N1CCC2CCC12CNC(=O)C4=CC3=C(C=C(C=C3F)F)[NH]4,E0B7022C914CDF4D_028FBDE51CD1D0B6_6038_DP,9.226301,00000000000100000001000000000000000000000010000000000010000000000110000000000001001100010011100110001100110100111000011011000100110100100110001000010001011110100111110,XHMBOTZSUISTRG-UHFFFAOYSA-N
+N(CC2=C1C=C[NH]C1=CC=C2)C(=O)C3=CC=CN4C3=NCC4,119732314CA0F3D5_150FAB25FE5401DE_6038_UN,9.225659,00000000000000000000000000000000000000100000010000100000000000000100000000001111101101000001100011111100010000110000011111100100000100000110001001011001011110100111110,PBNXZFCLSWBZRB-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4=N[NH]C5=C4C=CC=C5,4544CE16C3B6FD58_BB93DB1E568254C5_6034_UN,9.225349,00000000000000000001000000000000000000000010000000001000000000000100010000010001101101110011001010001100110100010000001011101100110100100110001011011001010110100111010,VTBNOTAIOVMTDN-UHFFFAOYSA-N
+CC1=C(C(C3=C(N1CCNC2CCCNC2)C(=CC=C3F)F)=O)C,700F46C9D460CED4_8F6BCF2824560750_6034_DP,9.224625,00000000000000000000000000000000000000000010000000000010000000000100000000010001001001110011000001101100110110010100101011100101110101100110001111011111111110101111110,TZOTVKLVHYWZKE-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)C2=CC(=CC=C2)C3(O)CCC3)C#N,17136344C32CB535_71882FAC832F5398_6006_UN,9.223066,00000000000100000000000000000000000000000100000000000000000000100010000000000000000000000011000000000000100000001000001000000101000010000001000101010000100001001111110,HQOMEKWFFKFUDV-UHFFFAOYSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C3=CC4=C(N=C3)C(=CC=C4)Cl,9A58278C5FA7C172_5BABF855609460D5_6035_UN,9.222666,00000000000000000000000000000000000000100000001000000000000000000100000000000100000000010011000100100101110100010100001011000111110011110100001101010011100011100111110,JXDNNIYJUVXYSM-ROUUACIJSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C3=CC4=C(N=C3)C(=CC=C4)Br,038CE6CFB60DDC67_ACB70425295B95FA_6035_UN,9.222664,00000000000000000000000000000000000000100000001000000000000000000100000000000100000000010011000100100100110100010100001011000111110011110100001101010011100011100111110,VXVMGJCGGZVDKO-ROUUACIJSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C3=CC4=C(N=C3)C(=CC=C4)F,66C81C2A15C59E34_AF639E821F123912_6035_UN,9.222662,00000000000000000000000000000000000000100010001000000000000000000100000000000100000000010011000100100100110100010100001011000111110011110100001101010011100011100111110,WLMQRSACAHTIFB-ROUUACIJSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3=CC(=C(F)C=C3)F,7B2940A315D2FC92_5767C461978A3B67_6039_UN,9.222358,00000000000000000000000010000000000000000010000001000000100000010100001100000000100100010100001110000110010101000100000101101111001001110100001111101011110111110111110,BFBAAQXCMBJYIC-UHFFFAOYSA-N
+N2CC[N]1N=CC(=C1C2)OC(=O)C3=CC4=C(C=C3)CCC=C4,1817C7CD9BB300DE_5D307219440C9836_6038_DP,9.221683,00000000000000000000000000000000000000000000000000001000000000000100000000000001101100100001001111111100110000010100001011111111110000000110001111011001111011110111110,JLJDOYACCBVFQT-UHFFFAOYSA-N
+C1(=CC(=CC=C1)Cl)NC3=C2C=NC=CC2=C(C=C3)N4CCOCC4,62A67362DE46650A_920368293296B2A2_7022_UN,9.220877,00000000000000000000000000000000000000000000000000000000010000100100000000010000100001110000000100101101010101010000001011100100110011110110001001011001010011100111110,QHTXKXAFCMPNOJ-UHFFFAOYSA-N
+C1(=CC(=CC=C1)F)NC3=C2C=NC=CC2=C(C=C3)N4CCOCC4,7ED3048C97D5F34A_F26982490A2D24B2_7022_UN,9.220876,00000000000000000000000000000000000000000010000000000000010000100100000000010000100001110000000100101100010101010000001011100100110011110110001001011001010011100111110,CXFNIMHIFNOMGL-UHFFFAOYSA-N
+C1(=CC(=CC=C1)Br)NC3=C2C=NC=CC2=C(C=C3)N4CCOCC4,4B5038379EAEB6E7_EBD39B9580C5B276_7022_UN,9.220862,00000000000000000000000000000000000000000000001000000000010000100100000000010000100001110000000100101100010101010000001011100100110011110110001001011001010011100111110,OATQBOJMEBRQET-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)CC[C@H]3CNCC3)CC#N)F,9381CB35CA691E8A_2D8414807FE31675_6034_UN,9.220781,00000000000000000000000000000000000000000110000000000000000000000100000000010000001101110011000010001100110100010000001011100100110000100110001010011011010110100111010,LBXXSURZJIFPKE-NSHDSACASA-N
+CN[C@@H]3[C@@H](OC1=C(C=C(C2=C1N=C(C)C=C2)Cl)Cl)CNC4=C3C=CC=C4,62701BEC8451BDAD_C56E490A670BFAC8_6035_DP,9.220774,00000000000000000000000000000000000000000000000000000100000000000100000000000000101000010010010100101101010110000100000011000111000111110100001111000111110011101111110,GZIADUALTYHJCY-ROUUACIJSA-N
+O(C[C@H]1[C@@H](CCNC1)C2=CC=C(C=C2)F)C3=N[N](C)C(=C3)C(F)(F)F,2E83300E63FB7377_1D80BF66BFF9AF45_6035_UN,9.22043,00000000000000000000000000000000000000000010000000001000000000100100000000010000101100110011111111101000101101111100011011101111110000100110001111011011010111101111110,MGTFGVFPAJLQCS-JSGCOSHPSA-N
+COC1=C(C2=C(C=C1)N(C=C2)CC3=CC(=C(C)C=C3)[N](=O)=O)N,5D9B3D43641A6CEF_A3B0D3EFE78B21E9_6034_UN,9.218791,00000000000000000000000010000000000000000000000001000000100000010100001100010000100111000000011110001110010000000100000101101111001001010100001111101111110111111111110,HXDJKNJRRQILKB-UHFFFAOYSA-N
+O(CC2=C1C=C[NH]C1=CC=C2)C3=CC4=C(C(=C3)[N](=O)=O)C=N[NH]4,5BEFED5EC74E218B_0108B0F05A91CF0B_6035_UN,9.21825,00000000000000000000000010000000000000000000000001001000100000010100011100000000100100000001001011000110010001000100000111101111001101010100001101101001110111110111110,PEGRWUFWIRLRHC-UHFFFAOYSA-N
+CC3(C)[C@@H](OC2=C(C)C=C1C=NC=CC1=C2)[C@H]4CCCN[C@@H]34,B83328112713A6BA_FE69207B3617EB6F_6035_UN,9.217652,00000000000100000000000000000000000000000000000000000000000000000110000000100000001000000011000001101100110010011100001011000111100000000100011111010111110011101111110,ZRNNEUOUNPHMCJ-JQHSSLGASA-N
+CC2(C)OC1=C(SC=C1)[C@@H](N)[C@@H]2OC3=CC4=C(C=C3)CNCCO4,22443760B466DEEC_E98363296A28128B_6035_UN,9.2173,00000000000000000001000000000000000010000000000000000000010000000010000010100000011110101100000111101100110001011100001011000111110111000110001111110111110011111111110,PLNVRESSNDYPSJ-WBVHZDCISA-N
+[S](=O)(=O)(C1=CC(=CC=C1)CC#N)NC3=CC2=C(C=C[N]2C)C=C3,E7CF138B549B5C88_525EF25FA53222E8_6026_UN,9.215508,00000000000000000000000000000000110000000100000000010001001111001101010001010000110101001000011010000110011000011000010001101100001001011100001001001001000110111111110,DCQHYNVSGPUSMP-UHFFFAOYSA-N
+CN(C)CCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(SC)C=C3,274E5E26661BEB9E_D2D64A18B1FB00B1_1171_UN,9.215319,00000000000000000000000000000000000010000000000100000000000100101100000000100000010101101000010110001000000001010101101011100111000010000110011101011100110111101111110,AVVRXAUYYPIPEB-UHFFFAOYSA-N
+COC[C@H]1NC[C@@H](C1)OC2=C(C=C(N)C=C2)C(F)(F)F,D2AF3EDA98FA9C70_BB0142B31F7BEFFB_6035_UN,9.215269,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110100011010111001000101111011101000001000011110111110110001110000011110111111111110,HWSDWGNHPQTCFC-VHSXEESVSA-N
+N2CCCC(N)(COC1=C(C=C(N)C=C1)C(F)(F)F)C2,B8D4EB3521D1238C_B6947E0A6BA9D9EC_6035_DP,9.215181,00000000000000000000000000000000000000000010000000000010000000000010000000000001001010100011000101101000101101011100001001000011110101110110001111010011110111100111110,MTXYIPWGGWCCLP-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCC2)C#N)NC3=CC=C(CO)C=C3,F27621CA882D3F9A_82F499693B36A3D9_6041_DP,9.214693,00000000000100000000000000000000000000000100000000000000000000100010000000000000001000000000000000000000000001001000001000000100000101010001001001010001010111100111110,BURXNXGSOUIHJV-UHFFFAOYSA-N
+FC(F)OC1=C(C=CC(=C1)C#N)C=CC2CCC(CN2)(C)C,0064035D89A97971_292A66CF455BCB92_7019_DP,9.214468,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000000011000000111000101100011101101001000011110000100100001111010111110011101111110,YCJHFKXCESVKPY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=CN=C2NC3=CC5=C(C=C3)OC4(CCCC4)O5,3D7C8FCA7B8C6CFD_3E5F9DD2B566B41A_6041_UN,9.213724,00000000000000000000000000000000000000100010000000000000010000000100000010000100000100010000000011100100010100001100001011010100010011110100001011010001100011110111110,YIIMYCPDXJMIHM-UHFFFAOYSA-N
+O([C@H]1[C@@H](CCNC1)NCC2=CC=CC=C2)C3=C(C=C(OC)C=C3Cl)Cl,1BEEE656EDCF8354_BBB258594F73A5D7_6035_UN,9.213603,00000000000000000000000000000000000000000000000000000100000000000000000000000000101000110011010100101001100100010100001001000111110111100110001111010011110111111111110,CFCGCDOUWCKDDZ-QZTJIDSGSA-N
+O=[N](=O)C2=C1C=C[N](C1=CC=C2)CC(C3=CC=C(OC)C=C3)CN,AECB2AFDA5E2499C_297FDB29AF047EA9_6034_DP,9.212975,00000000000000000000000010000000000000000000000001000000100000010100001100010000101111000010011010001110010000000100000101101111001001010110001101101001110111111111110,IZUDJPDGMBKXQV-UHFFFAOYSA-N
+FC2=CC(=C1CCC(C1=C2)=O)NC3=C(C=C(C)C=C3)[N](=O)=O,E6F677E4E14ED156_11EFAE9650E4DD1E_6041_UN,9.212364,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010011001011000110010100000000001100101101001011111000001111111011101010111111110,FJHFTVGCTKKQEE-UHFFFAOYSA-N
+[NH]2C1=CC=C(C=C1N=C2CC4=CC3=C(C=C(OC)C=C3)C=C4)[S](=O)(=O)N,C76D7C8A4AC08294_E127FF22947027C0_7005_UN,9.209955,00000000000000000000000000000000110000100000000000010001001111001101010001000101010110001000011010000110111000011100010011001111001100001100001101101001100111011111110,WTDJQZUWKFQPFK-UHFFFAOYSA-N
+CC2=C1CNCCN(C1=CC=C2)[S](C3=C[NH]C4=C3C=CC=C4)(=O)=O,E58AAC1EC655A875_DBA22EADD48FF282_6029_DP,9.20981,00000000000000000001000000000000110000000000000000010001001111001101000001010001111100101000001011001110111000011000111011101100111100011110001011011001010010111111110,AEDJORPUGNSTHO-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)OCC2)CC4=NC3=C(C=C([N](=O)=O)C=C3)[NH]4,875A8D66F9F5EF6B_843E4250C8DC99ED_6039_UN,9.209528,00000000000000000000000010000000000000100000000001000000110000010100001100000101100100000000001110000110110001010100001111101111001011010110101111111001110111110111110,DZNRTPOICCYUPV-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C5=CN=C4C=CC(=CN4C5=O)Br,B4E14B6DD63DE2B0_F2224E57173E338F_6038_UN,9.209325,00000000000100000000000000000000000000100000001000000000010000000110000000000100100001010100100001110100010100101100011011100101000011111100001111111011101011110111110,KEKQDISCOREDJI-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C5=CN=C4C=CC(=CN4C5=O)Cl,B1FC7315DFD4331B_B6E7085CD5016DE6_6038_UN,9.209312,00000000000100000000000000000000000000100000000000000000010000000110000000000100100001010100100001110101010100101100011011100101000011111100001111111011101011110111110,NZHFOWXYLGOJKT-UHFFFAOYSA-N
+OCC1=CC(=CC(=C1)C2=CC(=C(C=C2)C#N)C3CC3)C#N,7CD9455B27242971_227EE48942EF7E60_6004_UN,9.209221,00000000000000000000001000000000000000000100000000000000000000100000000000000000001000000000000000000000000001000000000000000100000000000001001011010010010101000111110,JCHOVMRFKQOCFR-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=CC(=N1)Br)(C2)C3=CC=C(C=C3)Br,82D22857D80DC902_C053BC07056FD850_6035_DP,9.208738,00000000100100000000000000000000000000000000001000000000000000100110000000000001001010110010100100101000000100101100010011000111000111110110001111000011110011100111110,GZAYVSAYQXPTMJ-UHFFFAOYSA-N
+CCOC(=O)C1=CN(C(=C1)C)C[C@@H]2CCCN[C@@H]2C(F)(F)F,2D7A34ABDF0319E8_5FE9CC4761FA40B5_6034_UN,9.20844,00000000000000000000000000000000000000000010000000000000000000000100000000010000101101000011000011101000101101011010101011110010110000100110001010011111011111111111110,QRUNDHREUHROCS-AAEUAGOBSA-N
+C1(=CC2=C(N=C1)N=CC=N2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,FF2D497CC71F584C_9CD7B001279C6E47_6041_UN,9.20835,00000000000000000000000000000000000000100010000000000000000000100100000000010101100101110011010010101100110110010001101011100100000001110100001011011011010010101111010,UFNQVFZKUHCCIX-WBVHZDCISA-N
+C1(=CC3=C2C(=C1)CCCN2C(C3)=O)NC5=C(SC)C=C4OCCOC4=C5,9B51CF614EAD8038_6B7D4C67A6D80687_6041_UN,9.208061,00000000000000000000000000000000000000000000000000000000010100001000000010000000010101001001110011101100010001110100011011100101110011010110001111111011111011111111110,KZUGDJBGKCMCIB-UHFFFAOYSA-N
+CC[C@H](OC1=CC=C(C(=C1N)F)Cl)CN2CCNCC2,B5288872D6E7E4EA_EF5D802DAC924D52_6035_UN,9.20604,00000000000000000000000000000000000000000010000000000000000000000000000000010001001011110001000100101001100100010110101011100011110111110110001111011011110111101111110,ZZKZCDVFIPKTJQ-JTQLQIEISA-N
+CC[C@H](OC1=CC=C(C(=C1N)F)Br)CN2CCNCC2,1D373E11ACE99369_679070B54C98F83B_6035_UN,9.206033,00000000000000000000000000000000000000000010001000000000000000000000000000010001001011110001000100101000100100010110101011100011110111110110001111011011110111101111110,PNGRPLPNKCRPKA-JTQLQIEISA-N
+NC3(COC1=C(C2=C(C=C1)[NH]C(=C2)C)F)CCCNC3,9C6011AE95AF8AD2_D9E6DA24127E4A10_6035_DP,9.205967,00000000000000000000000000000000000000000010000000000010000000000110000000000001001110110011000111101100110101011100001011000111110101100110001111010011110111101111110,PIJNOORAJABSJD-UHFFFAOYSA-N
+N1CCC[C@H]1CCNC(=O)C3=CC2=C(C=C(C(=C2)Cl)Cl)[NH]3,1E37549BDBDC6479_25BAB67B5D31035C_6038_DP,9.204819,00000000000000000000000000000000000000000000000000000110000000000100000000000001101100010011100110001101110100110000011011000100110100100110001010010011011110100111110,FIKKGFFMIXLBKF-JTQLQIEISA-N
+CC2=C1C=CN(C1=C(C=C2)Br)CC3=CC(=CC(=C3[N](=O)=O)N)F,7248AADE5A067E73_F94638B517EEBE08_6034_UN,9.204712,00000000000000000000000010000000000000000010001001000000100000010100001100010001100111010001001011001110010100000000000101101100001001110100001011001011010110111111110,AJYXWZBOGZMSOP-UHFFFAOYSA-N
+C2(=C1C4=C(SC1=NC(=N2)C3=CN=CC=C3)CCCC4)NC(COC)C5=C[N](N=C5)C,676B4AA5E6ED68C3_3DA6DBAFAAA0C7E7_6041_UN,9.202491,00000000000000000000000000000000000010100000000100001000000000100100000000010100110100101001011110100100110001010001001011101110110001010100001011011101010111101111110,SIRWLHSFUCTYQI-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)C=CC=C2)F)NC3=C(C=CC(=C3)Cl)N4CCOCC4,11D177A713E06BE4_149E60B77F009E8B_7022_UN,9.202457,00000000000000000000000000000000000000000010000000000000010000100000000000010001000001110001000100101101010101010000001011100100110011110110001011011011010011100111110,UJVFNLYBJYXTEH-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)C=CC=C2)F)NC3=C(C=CC(=C3)Br)N4CCOCC4,DC2924D1415BA9D2_4F864DCEE1664D61_7022_UN,9.202452,00000000000000000000000000000000000000000010001000000000010000100000000000010001000001110001000100101100010101010000001011100100110011110110001011011011010011100111110,PVCCYQQGKQMMPF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[N](C3=C2CNCCC3)CC[C@@H]4CCNC[C@@H]4C=C,7CEE1DDC412F7BBA_829E7B7F8F9826A4_6034_DP,9.201302,00000000000000000001000000000000001000000010000000000000000000000100000000010000101101110011000010111100110100010000001011100100110100100110001011011011010110100111010,LVHSTSNXROGCLO-HOTGVXAUSA-N
+CC1=C(C3=C(N1CC2(CNCC2)C(F)(F)F)C=CC(=C3)N)C,F0FEFF3B94C223A0_E7FECF0A16D3EEA2_6034_UN,9.199427,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111100011000010001100111110011000101011100100110101110110001010011111010110101111010,FTLHDKAPGQWQFZ-UHFFFAOYSA-N
+CC(C)(COC1=C(C=CC=C1Br)CC#N)C2CCNCC2,387F7989CA97E670_7B5170D754689B4A_6035_UN,9.199076,00000000000000000000000000000000000000000100001000000000000000000010000000100000001000110001000000101000100111011101101001000011110000100110001111010111110101101111110,WCOCLSKBBIZNNH-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NC2=C(OC)C=CC=C2C#N,9BB8D8ACBB3B3EFD_6AF18AC56E1A6232_7022_UN,9.198808,00000000000000000000000000000000000000000100000000000000000000000000000000000000100000010000010100000001000100000100000000000111000001110000001111000011100011101111110,YUKAFBPMHZZZDG-UHFFFAOYSA-N
+[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCCCOC3=C4C(=CC=C3)C=CC=C4,2FF227B15CA371E5_DF9C74C97F250829_6026_DP,9.198737,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100001010001011001110111001011100011001001111001110001110001101111001110111110111110,VZLMEZSTUXPPCR-UHFFFAOYSA-N
+N(C1=CN=CNC1=S)C(C2=CC3=C(C=C2)CNCCC3)=O,9ECA46681DB9A5C9_490CD863496572FC_6038_DP,9.198668,00000000000000000001000000000000000000000000000100000010000100001100000001000101111000101011100000101100110000110000011011000100110101010110001011010011011010100111110,QUGPUFQMGURVEC-UHFFFAOYSA-N
+O(C(=O)C1=NC=C(C=C1)C#N)CC2=CC3=C(C=C2)CNCC3,E1C6F629113C6640_30E79128D231DB8E_6031_DP,9.198475,00000000000000000000000000000000000000000100000000000000000000000100000000000000101000100001000100101100110001010000001011010110110000000110001011010001011111110111110,GTYGJXVXDNRVJL-UHFFFAOYSA-N
+O(C2CN1C=CC=CC1=NC2)C(C4=CC3=NC=C(N)[N]3C=C4)=O,A488B3E690748E21_A683D8B13A8F54FA_6038_UN,9.1984625,00000000000000000000000000000000000000100000010000000000000000000100000000000111100111000000000110111100010000000000000111110111100011010110001101001001111011110111110,IJNRYECVSARWKW-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)Br)COC2=C(C3=C(C=C2)[NH]C=C3)[N](=O)=O,BF2F9FF1DC56C9B1_270B82F30307797E_6035_UN,9.198326,00000000000000000000000010000000000000000000001001000000100000010100001100000000100100010100001110000110010101000100100101101111001001110100001111101011110111111111110,NIPWBNGIXODFOY-UHFFFAOYSA-N
+O=C1N(C=NC2=C1C=C(C=C2)N3CCOCC3)CCCNC4CCC5=C4C=CC=C5,EBA16C4C7B7FAE27_7CF7AE3602022334_6034_UN,9.197794,00000000000000000000000000000000000000000000000000000000010000100100000000010100101001100011100111101100110001110100011011100101110011010110001111011011011111110111110,JJHVRGXGFORBTF-UHFFFAOYSA-N
+O([C@@H]1CCCOC2=C1C=CC=C2F)C4=C3NC(OC3=CC=C4)=S,8B5A69239783B48C_5B977B301C696FC0_6035_UN,9.197509,00000000000000000001000000000000000000000010000100000000010100001100000001000000010100011100000110000100011101100100011011000111000010100100000111110001110011010111110,SPSGJKZJBFOESW-GFCCVEGCSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=C(C=CC(=C2)C#N)Br,F84085C3A8B9C76D_26B8CECAFDF5293F_6035_UN,9.196009,00000000000000000000000000000000000000000100001000000000000000000010000000100000001100110011000011001000000111001101000001000011110000100110011110000111110101101111110,UTQHGMCXVSGMFZ-KGLIPLIRSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=C(C=CC(=C2)C#N)I,DB6A61436A7BC806_1774A85BCC019364_6035_UN,9.196003,00000000000000000000000000010000000000000100000000000000000000000010000000100000001100110011000011001000000111001101000001000011110000100110011110000111110101101111110,GVPUCWYMKQHPBE-KGLIPLIRSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC2=C(C=CC(=C2)C#N)F,59D6B0F4615F7B8F_106D624BAB4E1269_6035_UN,9.196001,00000000000000000000000000000000000000000110000000000000000000000010000000100000001100110011000011001000000111001101000001000011110000100110011110000111110101101111110,VTMMINYRCSILED-KGLIPLIRSA-N
+N(CCC1=C[N]2C(=N1)SCC2)[S](C3=CC4=C(C=C3)[NH]C=C4)(=O)=O,13DBEC9CF1DB7C0C_67042C2FCE87A15E_6029_UN,9.19596,00000000000000000000000000000000110010000000000100010001001111001101010001000101111101001000001010001110111000011000011011101100101100001110001010011001010110110111110,AJENKSDTTSOZCS-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=C(C=C2)Br)N3CC5(OC4=C3C=C(Br)C=C4)CC5,47883DACEEB9BCFA_3684B11F90994C1C_6026_UN,9.194291,00000000000000000000001000000000110000000000001000010001011111001111000001010000110100011000001111101110011100001100010011101100011010111100001011111001110011110111110,MRCJHRADPXQJSH-UHFFFAOYSA-N
+N2CCCC(OC1=CC=C(C=C1C(F)(F)F)C#N)(CC2)C#C,E6DBE2EEEBD25B4B_B7F0A972C27FFB23_6003_DP,9.193668,00000000000000000101000000000000000000000110000000000000000000000010000000000000001000100011000001001000101100011100001001000011110010100110001110010011110001100111110,DFHLDYNRYCGOEX-UHFFFAOYSA-N
+C1(=C(C=CN=C1)CC#N)NC2=CC3=C(C=C2)CCOC3=O,7C838EEABEC8E9D1_5915C6E839D3789D_6041_UN,9.192117,00000000000000000000000000000000000000000100000000000000010000000100000000000001000000000010000000100100010001010000001011010101000011010100001111010011011111110111110,BXZZDGTTZKAOFH-UHFFFAOYSA-N
+CO[C@@H]2C[C@@H](COCC#CC1=CC(=CC(=C1)F)C#N)NC2,7D4F8DC14ADD7A02_A10FFF054D8C3546_6039_DP,9.191564,00000000000000000100000000000000000000000110000000000000000000000000000000000000001100110011010111001000100101010000100001000011110010100110001100000001110111111111110,UNTRVMHYFYZVEY-JKSUJKDBSA-N
+N(C1=CC2=C(C=C1)N=CNC2=O)C(C3=CC4=C(C=C3)CNCCO4)=O,8042F0C862BC1116_1921CE28E227B6C8_6038_DP,9.190788,00000000000000000001000000000000000000000000000000000000010000000100000000000100101000100000100101101100110001110100011011000101110111011110001111110001111011110111110,NUKXBXFJQUKPEI-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(C=C2)C#N)Cl,2C91232FD2F516E5_BB6E6CEBCF05A55A_6035_UN,9.190464,00000000000000000000000000000000000000000100000000000000000000000010000000110001001001110001000100101001100110011101101011100011110010100110011111011111110111101111110,NMBNNCWYBCCJRU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2)NCC3N([S](C)(=O)=O)CCCC3,03D5028EA7A883C0_C8BC8CCAC98E87EE_6041_UN,9.190462,00000000000000000000000000000000110000000000000000010001001011001101000001010001011100001011011010101110011010011000111011101100111101011110001001011011010110111111110,XLYGHWPPILSTLB-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(C=C2)C#N)F,E4C881F431CC8057_5D7A6EB5D249EEC2_6035_UN,9.190359,00000000000000000000000000000000000000000110000000000000000000000010000000110001001001110001000100101000100110011101101011100011110010100110011111011111110111101111110,DUZSBJHATGYTCT-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=C(N=CC=C3)Cl,BC0A2A94BE8403D8_395C192542BFFDCD_6031_UN,9.190073,00000000000000000001000000000000000000000000000000000000000000000100000000000000001000110000000001101101110101010000001011010110110000100110001011010011011111110111110,BQOIDFIIYLTYHB-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=C(N=CC=C3)Br,C2D67B7FF82038ED_D31ADE2D4C4A93DB_6031_UN,9.190071,00000000000000000001000000000000000000000000001000000000000000000100000000000000001000110000000001101100110101010000001011010110110000100110001011010011011111110111110,UANDYVHQSCSQHL-UHFFFAOYSA-N
+FC1=CN(C(=O)C2=C1C=CC(=C2)Br)CC3C4=C(OCCN3)C=CC=C4,1B93F26C4EF592C9_FF7CF7FAFFD8F597_6034_UN,9.189904,00000000000000000001000000000000000000000010001000000000010000000100000000010001001001010000100101101100110101110100011011100101110010100110001111011011111111110111110,OJLJQOQFWLJCPU-UHFFFAOYSA-N
+OC(=O)C1=C(C2=C(C=C1)[NH]N=C2)NC4=CC3=C(OCCNC3)C=C4,26021F8FE91C57DD_73F4AC67FD03E8B0_6041_DP,9.189504,00000000000000000001000000000000000000000000000000001100010000000100010000000000101100100001001111001100110001010100001011011100110111010111001011110011111011110111110,YJQNAIRHJLSQAP-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=CC4=C(N=C3)C(=CC=C4)Cl,751D5783867B9528_4F6D42A06D87E53C_6035_UN,9.189154,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100110011000111101101010100000100000011000111110010100110001101000011110111100111110,VOPSZSOFMSRLSK-VQIMIIECSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=CC4=C(N=C3)C(=CC=C4)Br,F0FE824AFD1808EA_B871BED024481013_6035_UN,9.189152,00000000000000000000000000000000000000000000001000000000000000000100000000000000001100110011000111101100010100000100000011000111110010100110001101000011110111100111110,GMNPCDYNCJQDAG-VQIMIIECSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=CC4=C(N=C3)C(=CC=C4)F,FD8279FE77BBB0E6_BBA524771201BCFB_6035_UN,9.189145,00000000000000000000000000000000000000000010000000000000000000000100000000000000001100110011000111101100010100000100000011000111110010100110001101000011110111100111110,LZSJPGQLLWWUKZ-VQIMIIECSA-N
+O(C1(CNCCC1)C(F)(F)F)C2=C(C(N)=N)C=CC(=C2)Cl,E818184D8526D3FE_92F13D61F22978D2_6035_UN,9.188669,00000000000000000000000000000000000000100011000000000000000000000010000000000110001010110011000101101001101100011100001101000011110110100110001111010011110011100111110,WYJRBEZBDLIZJS-UHFFFAOYSA-N
+CC1(CNCCNC1)OC2=C(C)C=C(C=C2)CCC#N,E4FD6F1F6881AA51_EF7B26B2E33EF8B6_6035_UN,9.1883135,00000000000000000001000000000000000000000100000000000110000000000010000000000001101000100011000100001000100010011101001011000011110110000110001110010111110101101111110,IKRTUNNIMVRBRB-UHFFFAOYSA-N
+OC(=O)C2=C1OCCOC1=C(C=C2)NC4=C3C=NC=CC3=C(N(C)C)C=C4,C0417A8E7D685643_245A4509938A7FE3_6041_UN,9.187587,00000000000000000000000000000000000000000000000000000000010000000100000010100000100001100101010101100100010001000100001011110100000111010111101011111101111011111111110,VUYCGGPWHGUJAN-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC2=CN=C(SCC)C=C2,1592F8FF6EFA9F46_73312D77A63BDB1F_7022_UN,9.186664,00000000000000000000000010000000000000000010000101000000100100011100001100000001110000011000001000100010000100000010000101101100001001110100001011001011010110111111110,ANHZIUPWZJQLOG-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC2=CN=C(SCC)C=C2,78914A9506C20C17_38D9DF35185003BF_7022_UN,9.18665,00000000000000000000000010000000000000000000000101000000100100011100001100000001110000011000001000100011000100000010000101101100001001110100001011001011010110111111110,OKBGKXKEGDGHAP-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC4COC3=C(OC)C=CC=C3C4,3AF6B8277CCD0752_C9911FFA65B18797_6041_UN,9.185707,00000000000000000000000010000000000000000000000001001100110000010100011110000000100100000000011110100110110001010100000111101111101101010100101111101001110011111111110,HMXHSDOXIXYAHM-UHFFFAOYSA-N
+OC(=O)C2=C1OCCOC1=C(C=C2)NC4=CC3=C(C=C[N]3CCC)C=C4,84589CD7C28C1444_4249890B849B8647_6041_UN,9.185588,00000000000000000000000000000000000000000000000000000000010000000100000010010000100101000101000111101100010001010111001011110100000111010111101011111001111111111111110,IQDCLCSDEJVYSO-UHFFFAOYSA-N
+CC(C)(C)[C@@H]3CC[C@H](COC1=C(C(=CC=C1)C2CNCCC2)F)O3,64AEDCE725335BDE_C4C957DA14A6DB6E_6035_UN,9.185357,00000000000000000000000000000000000000000010000000000000010000100010000010100000001100110011000010101000100111011100101011000011110010100110010111010111110101111111110,RONYVOGQCGVDDV-MLMRRJNNSA-N
+O(C1(CNCC1)C(F)F)C2=CC3=C(C=C2)[NH]C=C3CC#N,A10993208654A763_4B85CFB64D80D8AB_6035_UN,9.182804,00000000000000000000000000000000000000000110000000000000000000000110000000000000001100100011000111001100110100011100001011000111010110100110001100010001110111100111110,HPWOLQIUUYTVTQ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC4=CC(=C(SC)C=C4)C#N,5A1E2EFE97E0F126_DD9AB6F6C471D79C_6041_UN,9.182417,00000000000000000000001000000000000000000100000000000000000100101100000000000000010100001001010010000100010000000000000001000100000101010100001011010011000010101111010,OZCRQIXXDQDEJU-UHFFFAOYSA-N
+CC1=C(C3=C(N1C[C@@H]2CCCN[C@@H]2C(F)(F)F)C=CC(=C3)N)C,E15AF4FC044F4421_6CFCC469B145BE8E_6034_UN,9.182322,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111000011000010101100111110011000101011100100110101110110001011011111010110101111010,OBZIWAORBWNYSD-LRDDRELGSA-N
+N2CCC(F)(F)C(COCCCC1=CC=C(C(F)(F)F)C=C1)C2,879D17B42BF0B296_DDEAC972726E7125_6039_DP,9.181295,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000110011000001101000101101011000001001000010110010100110000001010011010101100111110,IZIHPUIHRVDPEB-UHFFFAOYSA-N
+O(C(=O)C1(CCNCC1)CC2=CC(=C(C=C2)Cl)Cl)C[C@H]4C[C@@H]3CNC[C@@H]3N4C,B0C9CCE5C62CA8E1_897D8C60FC25A9E7_6031_UN,9.179811,00000000000000000000000000000000000000000000000000000000000000000010000000010001101101110011010110101101110111011000101011110010110100100110001011011011011111111111110,KZTBOKFVIIVDDJ-MDZRGWNJSA-N
+N3CCC1(CC1(COCC(C2=CC=C(C(F)(F)F)C=C2)(F)F)C#N)CC3,2496E5D820AD0549_A0DEDF141C7FCC93_6039_DP,9.179124,00000000000000000000001000000000000000000110000000000000000000000010000000000000001000100001000001101000111101011000001001000010110000100110001001010001010101100111110,ULGHDYAAYRWKJX-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]N=C2)NC4(C3=CC=C(OC)C=C3)CCC4,DCDE7D5E72FB878D_1D88B6C559211193_6026_UN,9.17853,00000000000100000000000000000000110000000000000000011001001111101111010001000000110100001011011010000110111000011100011011001111001101001100001101111001100011111111110,WSZNOVGRHFORRZ-UHFFFAOYSA-N
+C[N]1C=CC(=C1C#N)NC2=C(C=C(OC)C=C2)[N](=O)=O,3DF7E177964759BC_472969EEF02C1674_6041_UN,9.177967,00000000000000000000000010000000000000000100000001000000100000010100001100010001100101000000011011000010000000000100000101101111001001010100001110101111100011111111110,IJRMKUFFWJRAKA-UHFFFAOYSA-N
+N([C@@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C5=CC4=C(C=NC=C4)[NH]5,E3C25D9AE04BE404_8717198D69561D7E_6038_UN,9.177939,00000000000100000000000000000000000000000010000000000010010000000110000000000001000100010001100111100100110100111100011011000100110111100100001011010001101011110111110,CZRJVAORUOPIEC-INIZCTEOSA-N
+CC1(O[C@H](CNC1)COC2=CC=C(C=C2)C3=CCNCC3)C,4390F7D3A703DDA4_09AEE86052A39EA5_6035_UN,9.177813,00000000000000000000000000000000000000000000000000100000010000100010000010101000001000100011000101111000100011011101001011000011110110000110001101010101110101111111110,PHGBEMMVLSYVNV-QGZVFWFLSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NC2=CC(=C(OC)C=C2)SC,87152EE04BAA9556_1E04F8A0AECCF1DC_7022_UN,9.176927,00000000000000000000000000000000000000000100000000000000000100001000000000000000010000011000010000000001000100000100000000000111000001110000001111000111100011101111110,JVGSUZKAZPDQOL-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC2=CC3=C(C=C2)COCC3,D7BDEB1C6B90B1D9_519D2BF3D2887D47_6035_UN,9.174429,00000000000000000000000000000000000000000000000000000000010000000000000000010001001001100011000100101100110011010111101011100011110010000110001111011111110111111111110,HFTWDQSDFHXUCP-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CCNC2)CC3(CCNCC3)F,37DB81882711AE93_30485CCA5E369D22_6031_UN,9.17437,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110001000000101100110101011000001011010010110100100110001011010001011101110111110,HSTYBSBGYSEONT-UHFFFAOYSA-N
+FC2=C(C=C1C(=C[N](C1=C2)CC3(CC34CCNCC4)C#N)CC#N)F,16D5AEDCDA2C5BC7_5D53DB376977637A_6034_DP,9.173815,00000000000000000000001000000000000000000110000000000000000000000110000000010000101101110001000010101100110100011000001011100100110000100110001011011011010110100111010,ZQSMUOBEJRZXRL-UHFFFAOYSA-N
+N2CCC1(CC1)CC2COCC3=CC(=CC(=C3)C4=C(C(=C(C(=C4F)F)F)F)F)F,DAF2D6A251F82D68_DA0070B597C7EAC4_6039_DP,9.173238,00000000000000000000001000000000000000000010000000000000000000100010000000000000001000110001000100101000110101011000001001000110110000100110000011010011010111100111110,ZWISXLOHPJKSRS-UHFFFAOYSA-N
+BrC1=CC3=C(C=C1)[N]2C=CC=C2C(N3CC4(CNC4)C#N)=O,7FAC3CAA7E0274E2_C17DC346884D1862_6034_UN,9.173174,00000000100100000000000000000000000000000100001000000000000000000110000000010001101101110010100110101100010100101100010011100101100000100110001111001011011110100111110,UYWLBQXPTJUQHE-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)C(=CC=C2)F)NCC3=CC4=C(C(=C3)Cl)OCCCO4,C5FBB81F24678EDE_FE7B793B40F78FE6_7022_UN,9.172564,00000000000000000001000000000000000000000010000000000000010000000100000010000001001000010100000000101101010101000100001011000100000011110110001011010001110111110111110,SANPPYBJKURPEL-UHFFFAOYSA-N
+O(C(=O)C1=C(C=CC(=C1)F)C(F)(F)F)C[C@H]2NCC[C@@H](CC)C2,1234F92F1CDF632E_B48C874BEF86C05C_6031_UN,9.172089,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010001000100101000101111011010101001010010110000100110000011010011011111111111110,REVVTHACMYNIKH-PWSUYJOCSA-N
+C1(=CC(=CC=C1)C2(CC2)C#N)NC3=CC=C(CO)C=C3,645775D092A0DCCB_C3145C86588F4F38_6041_DP,9.172017,00000000000000000000001000000000000000000100000000000000000000100010000000000000001000000000000000000000000001001000000000000100000101010001001001010001010111100111110,HEHSBENALRTIKW-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=C2C(=C(C=C1)F)C=CC=N2)[C@H]4CCCN[C@@H]34,27AE01D092716C87_D2F3EE900BFF3C95_6035_UN,9.171328,00000000000100000000000000000000000000000010000000000000000000000110000000100000001000010011000101101100110110011100001011000111100000100100001101010111110011101111110,MHEWBKUKVHLPCG-VUCTXSBTSA-N
+CC1=C(N=C([N]1C[C@@H]2C[C@H]2C3CCNC3)C4CCCN4)C5=CC=CC=C5,0279DABB6C1852D0_1C74E4BBBF469C6E_6034_DP,9.170504,00000000000000000000001000000000000000100000000000000000000000100100000000010101001101100011000010001000100000010000101011100100110100000110001010011011010110101111010,KFOBMSIUBDZPLR-NUVZVAJJSA-N
+CC1=C(C=C(C=C1)CC#N)NC2=C(C)C=C(C=C2F)[N](=O)=O,D15BB610233A7CAD_612B26958F3788B4_6041_UN,9.170195,00000000000000000000000010000000000000000110000001000000100000010000001100000000000000010001001000000010000100010000000100101100001001110000001011001111000110111111110,PLOVSWPYUAGTFB-UHFFFAOYSA-N
+COC1=NC(=CC=C1)NCC2=C(CSC)C=C(C=C2)F,DDB6A9AD0CB8D267_AA3E2E61D429BDF2_6041_UN,9.169624,00000000000000000000000000000000000000100010000000000000000000000100000000000100001000111001110001101000000100100101010001000111010001110110001111000111010111101111110,NFVHMACKOPXXJN-UHFFFAOYSA-N
+CCC1(CCNCC1)OC2=C(C=C(C=C2)C(F)(F)F)C#N,99BB096102AAE890_D171236C20E396C2_6035_UN,9.169183,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000100001000001101000101110011110101001000011110010100110001111010011110101101111110,ALPFPIQAJQOZHQ-UHFFFAOYSA-N
+N4CCOC1=C(C=CC(=C1)OC(=O)C3=C2C(NC=NC2=CC=C3)=O)C4,5291EECBB24A4D2C_2BF226A2E395D648_6038_DP,9.168898,00000000000000000001000000000000000000000000000000000000010000000100000000000100101000100100100101101100110001110100011011010111110110001110101111110001111011110111110,AXAZDLNUZZHLMM-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCOC3CNC3)CC(C)(C)N,D42BC7B404706D29_7150A190E659ED71_6034_UN,9.167462,00000000100100000000000000000000000000000000000000000000000000000110000000110000001111100011000110001100110001011001001011100111110110000110011100011101110111101111110,LMVDRJWFNZBBEE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2=O)NCC3=CC=C(SC)S3,430C7D0270D3E4C0_24A01FE301A27997_6041_UN,9.1674595,00000000000000000000000000000000000010000000000000000000010100001000000000000000011100001100010010101100010001000100001010000101000011010110000111010001111111111111110,KZOXQVIJZPZAAC-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC3=CC(=C(C=C3)N4CCSCC4)Cl,02E600B4985B69D0_99FD0A8707335FF9_7022_UN,9.1670685,00000000000000000000000000000000000010000000000000000000000000100000000000010000000001111000000000101101010100010000001011100100110001110110001011011011010010100111010,AALIEOGJJDZLLU-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NC3=C(C=C(OCC)C=C3)C,3AC85281F60DBE07_8AE8DAB60E98B263_6026_UN,9.1664295,00000000000000000000000000000000110000000000000000010001001111001101010001010000010101001000011010000110011001001110010001101111001001011100011111101111110111111111110,APIOFOSNTXKEND-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(CCNCC2)C(F)(F)F)C=CC(=C3)C#N)C,0481A27A8AC9431A_C8FFFB0D38680624_6034_UN,9.166103,00000000000000000000000000000000000000000110000000000000000000000110000000010000001101100001000010101100111110011000101011100100110000100110001011011111010110101111010,SPRFUVQLYYBDQO-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)N=CS2)NCC4=CC3=C(C=C(OC)C=C3)C=C4,538F62D61EB4D91D_44247B918F67B439_6026_UN,9.164488,00000000000000000000000000000000110010000000000100010001001111001101010001000000011100001000011010001110011000001100010011001111001000001100001101101001110111111111110,CTUPNKINICHSNH-UHFFFAOYSA-N
+N1CCC(C1)[C@@H]2C[C@H]2COC3=CC(=C(C)C=C3C4CNCC4)Cl,2D712F8504CC774C_E64684EEBE8E029E_6035_DP,9.164397,00000000000000000000001000000000000000000000000000000000000000100000000000000000001100110011000010001001100101010100001011000011110100100110001110010011110101101111110,RUKZPTKANYHNEO-CKUJCDMFSA-N
+CNCC2=C1N(C=CC1=CC=C2)CCC3=C(C=C(C=C3)[N](=O)=O)Br,93A1AEF499C74393_2D587455F0DC861F_6034_UN,9.16364,00000000000000000000000010000000000000000000001001000000100000010100001100010000101101110000011010001110010100010001001101101100101001110110001011011011010110111111110,ZDKCOASHDJSCLW-UHFFFAOYSA-N
+N2CC(OC1=CC(=C(N)C=C1Br)F)(C2)C3=C(N=CC=C3)F,71A5793C5FCD9DCF_B607DD782DD123B1_6035_DP,9.161331,00000000100100000000000000000000000000000010001000000000000000100110000000000000001010110010000101101000000100001100000011000111000111110110001111000011110011100111110,NFGVQSIPJICHLV-UHFFFAOYSA-N
+N2CC(OC1=CC(=C(N)C=C1Cl)F)(C2)C3=C(N=CC=C3)F,42332FDA56B1225F_BF2FB0ACDD049947_6035_DP,9.161327,00000000100100000000000000000000000000000010000000000000000000100110000000000000001010110010000101101001000100001100000011000111000111110110001111000011110011100111110,ZBQHJADOZFRBFL-UHFFFAOYSA-N
+N2CC(OC1=CC(=C(N)C=C1F)Cl)(C2)C3=C(N=CC=C3)F,B2E80A049F2EBD57_0C1C9B3F92B31411_6035_DP,9.161318,00000000100100000000000000000000000000000010000000000000000000100110000000000000001010110010000101101001000100001100000011000111000111110110001111000011110011100111110,KQYNKEYQVQKASQ-UHFFFAOYSA-N
+CCOCC(OC1=CC2=C(C=C1)C=C[NH]2)CN3CCNCC3,5C860C90C9CE8274_761B71A80FB74BE8_6035_UN,9.160766,00000000000000000000000000000000000000000000000000000000000000000100000010010001001101100001000111101100110001010110101011100111110110000110001101011001110111111111110,PDRNOCWIHKGGOD-UHFFFAOYSA-N
+CSCC1=CC(=NC=C1)NC2=CC(=C(SC)C=C2)C#N,318465366111171F_7D362A0B07FFD74D_6041_UN,9.160495,00000000000000000000000000000000000000100100000000000000000100001100000000000100010000101001010000100000000000000001000001000100000001010100001011000111010110101111010,AMHMQALIEKKAPC-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)N4C3(CNC3)CC(C4)=O,81E6241FCD55AE49_91B3F784A121AFE2_6026_DP,9.160052,00000000100100000000000000000000110000000000000000010001001111001111000001010001011100101011001111001110011000011000010011101101111110001110001100101001111010110111110,XMJVROYJQRNBBH-UHFFFAOYSA-N
+S(CCCC1=C[NH]N=C1)C(=O)C2=CC3=C(C=C2)OCOC3,2DF128A6712230F7_0BD2556D7FF72114_6038_UN,9.159771,00000000000000000000000000001000000000000000000000001000010000000100010000000000110100101111001010100100010001000100001011011100100000000110001011110001111101010111110,VALBIHMCDIMJAX-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NC3=C(CC)C=CC(=C3)[N](=O)=O,CB56AA41F3F486DA_00F993E8B5410208_6041_UN,9.157741,00000000000000000000000010000000000000000100000001000100100000010100001100000000100100000011001010000110010000010010000101101100001101010100001011001011000110111111110,WVCNLUROZLSJHK-UHFFFAOYSA-N
+C2N(C(C1=CC=CC=C1)C23CCOCC3)[S](C4=CC5=C(C=C4)[NH]C(=C5)C#N)(=O)=O,FB44B48051C9C191_40FB6797CF8F0AC0_6029_UN,9.1575775,00000000100100000000000000000000110000000100000000010001011111101111000001010001010100101000001010101110011001001000011011101100111010001110001001111011010011110111110,HVUHOSCZPPRJGJ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)C2)NC4=CC3=C(C=C[N]3CC)C=C4,D292D611659DD7A4_6FC660A923FD411C_6041_UN,9.157158,00000000000000000000000000000000000000000000000000000000010000000100000010010000100101000001000010101100010001000110000011100101100011010110001111001001111111111111110,MUNDTXXMDHHIMS-UHFFFAOYSA-N
+CC1(NCCC(C1)COC2=CC(=C(C=C2)C(F)(F)F)C#N)C,A58C6F93103BB74E_F6CA2096DA12DEE7_6035_UN,9.156552,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000000001000000101000101111011101101001000011110000100110001111010111110111101111110,MMBXRIIAHBIMOJ-UHFFFAOYSA-N
+N1CCCC2=C1C(=CC=C2)OC(=O)C4=C3CNCC[N]3C=C4,449F4ED997CC2D59_B32DB0B6CF82ACC1_6038_DP,9.156467,00000000000000000000000000000000000000000000000000000000000000000100000000000001001101100011000111101100110000010100001011110111110100010110001111011001111011110111110,DCLJFOJRFLAAEG-UHFFFAOYSA-N
+ClC1=CC=C(C=C1)N2C(=O)N(C3=C2N=CC=C3)C[C@H]4NCC5(C4)CC5,DFC00B6A7B7C9F37_4CBB8F1479B5C9F1_6034_UN,9.1562195,00000000000000000000001000000000000001100000000000000000000000100110000000010101101101010011000011101101111100111100010011100101110001110110001111011011011110100111110,IWJZSEJHYHAEKF-AWEZNQCLSA-N
+N3CCC(=CCOC(=O)C2=CC1=C(C=CC(=C1)F)[NH]2)CC3,FCD6268722C47030_D11BDBBDF2EE20EF_6038_DP,9.156044,00000000000000000000000000000000000000000010000000100000000000000100000000001000001100110001000110111100110101010000001011010110110100100110001001010001011111110111110,NSGHQPQAUXQJDP-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[NH]C3=C2CCNC3C(=O)OCC4=CC=C(C(CN)N)C=C4,573E0189A3CACC94_3123E62BC5A492FC_6031_UN,9.155543,00000000000000000000000000000000000000000000000000000010000000000100000000000001001110000011010111101100110001010100001011010111000100000110001111110001111111111111110,QFLSPUJLCGSSRG-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)NCCC2)CC3=C[N](C)C(=C3)C#N,97CA609A52FCC16E_97968238A70CD276_6031_UN,9.154737,00000000000000000000000000000000000000000100000000000000000000000100000000010001001101000011010011101100110011010000001011110110100000010110001011011011011111111111110,AXRHSMMVBPYULB-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)OC=C2N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,AC5048F46F9085AC_4267BD999C39A267_6041_UN,9.154438,00000000000000000000000000000000000000000010000000000000010000100000000000010001100101110011010111001100110110010001101011100100000001110100001011011011110010101111110,YQESGDULGVWDLU-APWZRJJASA-N
+O([C@H]1CCOC2=C1C=C(C=C2F)F)C4=C3NC(OC3=CC=C4)=S,32BF04032487CB20_967572B4A630100D_6035_UN,9.154256,00000000000000000000000000000000000000000010000100000000010100001100000001000000010100011100000110100100011101100100011011000111000010100100000111110001110011010111110,QSKMCGIVMILPPC-NSHDSACASA-N
+C[C@@H]3[C@@H](OC(=O)C1=CC2=C(C=C1)[NH]C=C2C#N)CCN3,3F7AF31A91197E9C_E385D2642CC79B18_6038_DP,9.153485,00000000000000000000000000000000000000000100000000000000000000000100000000000000101100000011000111001100110010010000101011010111000110000100001100010011111011111111110,GHHZGVXNGLYVFG-OTYXRUKQSA-N
+CCC1=C(C(C3=C(N1CC2(CCNCC2)C(F)(F)F)C(=CC=C3)F)=O)C,ACDC5B3CD30B8A8D_4885B1A20A7CE1C8_6034_UN,9.152349,00000000000000000000000000000000000000000010000000000000000000000110000000010000001001110001000001101100111110011110101011100101110000100110001111011111111110101111110,ISEBVXSMVQAMBT-UHFFFAOYSA-N
+C[C@@H]2CC[C@H](OC1=CC=C(C(N)=O)C=C1C(F)(F)F)CN2,6ED0E1861E6BB38A_FD481DAD82BA8997_6003_DP,9.151711,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010000011100100101000101100111101111001000011110110100100001111010011111011111111110,DXTJKYYGNMYXOM-SCZZXKLOSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NCC3=CC=C(CC)C=C3,C180E04E57643B57_42E9B8A7D7A5CAAD_6026_UN,9.151172,00000000000000000000000000000000110000000000000000010001001111001001010001100000011001101000011000001110011000001010010000101100001001011000011001001101010110111111110,NZFYFIUVZZQIRJ-UHFFFAOYSA-N
+O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NC3=CC=CC4=C3N(C)CCC4,0F4BC542E7F634BB_BB9D0F994C0DC3EB_6041_UN,9.151096,00000000000000000000000010000000000000000000000001001000100000010100011100010001100101100001011011101110010010010001101111101100101101010100001011011001010010111111110,QXDZWLHALVNWEI-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCC4=C(C=C(CC)C=C4)F,2BD835DF24484FD4_53BF07C0E7CF90DB_6026_UN,9.149929,00000000000000000000000000000000110000000010000000010001001111001101010001010000011101011000011010001110011100001010010001101100001000101100001011001111010110111111110,HUOPKGUUHMCYCG-UHFFFAOYSA-N
+CC1=C(C(=C(C(=C1)OCCC2N(C)CCC2)C)C)C#N,FCBB53B251747958_A4DAC8BA85BF838C_6039_UN,9.149381,00000000000000000000000000000000000000000100000000000000000000000000000000010000000101100000010011001000000011010101101001100011110010000110011110011110110111101111110,AQTIHKNRCBRBNG-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)OCC2)[S](C3=CC4=C(C=C3)C=C(I)C=N4)(=O)=O,4833D1A65705302D_2E252A21058F5583_6029_UN,9.149209,00000000000000000000000000010000110000000000000000010001011111001101010001000000011100011000001010101110011101001100011011001100101010101110001011111001110111110111110,WOTWRVQXMUXAPT-UHFFFAOYSA-N
+N([C@H]1C3=C(OC2(C1)CCCC2)C=CC(=C3)F)C(=O)C4=NC5=C(C=C4)N=CC=N5,46700C4A7909B556_9207E0E248F05FC5_6038_UN,9.149084,00000000000000000000000000000000000000100010000000000000010000000110000000000101000000010001100111100100110100111100011011000100110011100100001011010001101011110111110,ZKQTWCGZTJOADL-QGZVFWFLSA-N
+CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC2=CC=C(C=C2)CCC3CCNCC3,0B8CA39C9BA6AE0D_11BACE147A9A6D87_6035_UN,9.148323,00000000000000000000000000000000000000000000000000000000000000000000000000100000001000100001000000101000100010010101101001000011110010000110010101010111110101101111110,LYEPVOVSJIFVDP-NMNUPHIUSA-N
+N1CCC[C@H]1CCNC(=O)C3=CC2=C(C(=CC(=C2)F)F)[NH]3,F4440A858B423895_E5021C9DAEC6513E_6038_DP,9.148134,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100010011100110001100110100110000011011000100110100100110001000010001011110100111110,ZUFVTKBGQMITAA-NSHDSACASA-N
+N3C[C@@H](OC(=O)C=CC1=CC2=C(C=C1)OC=C2)[C@H](CC#N)C3,E70160891F64C37A_47140AD4EB284E1F_6038_DP,9.147837,00000000000000000000000000000000000000000100000000000000010000000000000000000000001100100011000111011100010000010000000011010111110010000110001100100011111101110111110,OPVDGQFCXUFJNX-GDBMZVCRSA-N
+CC1=C(C=C(C=C1)NCCC2=C(OC)C=CC(=C2)C)[N](=O)=O,E7F34DDFD209F7BA_83139E57B94D0C40_6041_UN,9.146983,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000000011000001010100010010100001100101111001001010000011111111111110111111111110,XJIDCZXUUZGZNA-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C(=O)CC2)[S](C3=CC4=C(C=C3)[NH]N=C4)(=O)=O,F7D63549BF9259D7_2C573B1F5FE14CC4_6028_UN,9.146442,00000000000000000000000000000000110000000000000000011001001111001101010001000000110100001001001010000110011000001000011011001101001111011100001111111001101010110111110,QKEAJLKPBPBCFR-UHFFFAOYSA-N
+COCC2=CC(=O)C1=C(C=CC(=C1)F)N2CC3NCC=CC3,013FABA1E3832767_826A7652902D92C9_6034_UN,9.14619,00000000000000000000000000000000000000000010000000000000000000000100000000010001001001110001010101111100110101010101000011100111010000100110001111001011111111111111110,XAJVACBTDPCHCZ-UHFFFAOYSA-N
+COCC2=CC(=O)C1=C(C=CC(=C1)F)N2CC3=NC=C(C(C)(C)C)C=C3,9A5C2A3D27D715E5_66B8460625F51C6D_6034_UN,9.145266,00000000000000000000000000000000000000000010000000000000000000000110000000110001000001110000010101101100010101011101000011100111010000100110011111001110111111111111110,NLPBEQDZPWHYBL-UHFFFAOYSA-N
+NN1C(C2=C(C1=O)C=CC(=C2)NC4=CC3=C(N=C[N]3C)C=C4)=O,43A6903865ACE51B_755C275C719460CD_6041_UN,9.145153,00000000000000000000000000000000000000000000000000001000000000000100010000010101100111000100111110000100010000100000010011101101000101011100001111001011001010111111110,RDXCXAKIRUUTAF-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC3=C(C=C2)[N](C(=C3)C)C,83F588EC58B7AA7D_A6C9D0D2B0961C22_6035_UN,9.144353,00000000000000000000000000000000000000000010000000000000010000000100000010010000001101100010010111101100011101001100000011100111100010100110001111001111110111111111110,HOBDGBXSQMPTGC-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=CS2)C3=CC=C(SC)C=C3,51DFDE215C520364_E98A8982CF886722_7022_UN,9.143695,00000000000000000000000000001000000010000000000100000000000100101110000000100100010100101001010110000000001001001101000011010111000001010100011111000111110111111111110,SISGWNUEUCSUMM-UHFFFAOYSA-N
+N(C1=C2C(=CC=C1)C=CS2)[S](C3=CC4=C(C=C3)OCC4)(=O)=O,D7424873E50660FD_175F8CC1B0727A88_6028_UN,9.14227,00000000000000000000000000000000110010000000000000010001011111001001010001000000010100001000001010000110011001001100011010001100001011011100000011111001110011110111110,JJMKYDMHVHRGSU-UHFFFAOYSA-N
+N2CCN(CCCCOCC1=C(F)C=CC(=C1)C#N)CC2,1B0983E3C6003F02_0F07D2CCE8F06427_6039_DP,9.142258,00000000000000000000000000000000000000000110000000000000000000000000000000010001001001110001000000101000100101010000001011100010110010100110001011011011010101100111110,XOYQYRXCAZZJMF-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1COC(=O)CC2COC3=C2C=CC=C3)C4,E618E659315B9136_ADEEE1F9B515455D_6038_DP,9.141444,00000000000000000000000000000000000000000000000000000000010000000000000000000000001100100001000010101100110001010100001011010110110010000110000011110001111101110111110,BPKTVQAVVMTAED-UHFFFAOYSA-N
+COC(=O)C1=C(C=C2C(=C1)[N](C=C2)CC=C3CNC3)N,626AF372FA4C7FA6_64DE2D768E300028_6034_DP,9.141054,00000000100100000000000000000000000000000000000000100000000000000100000000011000001111100011010011011100010000000000000011110110010101010110001010001011011111111111110,CHKVNRMPPUWQPV-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C3(CC2)CC(=O)OC3=O)NC4=C(C=CN=C4)[N]5C=CN=N5,C481F27277759740_EFD5ACDE4CB0F9D3_6041_UN,9.140718,00000000000000000000000000000000000000000000000000001000010000100110001000010101100100000101001010100100010000001000001011111101111011011100001111111011001011110111110,UAKXBMSMQQFHAK-UHFFFAOYSA-N
+N2CCN(CC(C)(C)OC1=C(C)C=C(C=C1)CCC#N)CC2,2BE86F0F7A1F4FB3_C19F0FA22F4BBF05_6035_DP,9.13975,00000000000000000000000000000000000000000100000000000000000000000010000000110001001001100001000100101000100010011101001011100011110010000110011111011111110101101111110,ISLPQZQZCCPZMH-UHFFFAOYSA-N
+FC(F)OC1=CC2=C(C=C1)C(=O)N(C=N2)CC3(NCCNC3)C,D37B15100640972E_3D309D216C18B59F_6034_DP,9.139733,00000000000000000000000000000000000000000010000000000010000000000110000000010101101001100011100001101100111110111101111011100111110100100110001111011011111111111111110,BUSIXFKOKCYFSV-UHFFFAOYSA-N
+CN(C)[C@@H]1CCC[C@H]1OC2=CC=C(C=C2)C3=C[NH]N=C3,578834EEC48A6029_4B82BBB0B0C8638D_6035_UN,9.139639,00000000000000000000000000000000000000000000000000001000000000100100010000100000100101100000011110000000000010010100101011101111010011000100001100011111100011101111110,SZGUFVZPPHUFSZ-HZPDHXFCSA-N
+O=C2N(C1=C(CCCC1)C3=C2C=CC=C3)CC4=C[NH]C5=C4C=C(C=C5)Br,A53A982607E55C34_129E223778A97B6C_6034_UN,9.139279,00000000000000000000000000000000000000000000001000000000000000000100000000010000100101010011100010101100010100110100011011100101110000100100001111011011011110100111110,UKJKLJFJQVMTFK-UHFFFAOYSA-N
+N(CCOC1=CC2=C(C=C1)CCC2)[S](C4=CC3=C(C=C(Cl)C=C3)C=C4)(=O)=O,76C5DB3047C53265_0F30751452B9B681_6029_UN,9.139176,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000011000001110001111111101011100011000001111011010101010000111111001110111110111110,XRFWCNHLSMTNEE-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2F)F)C,2C06DECDC2ACBB14_F475B4D42BAD1D4D_6041_UN,9.137975,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010000011001000010000100000100000100101111001001110000001111101111100011111111110,CQQWXIPFUFGMBW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)CCCO2)NC4=CC3=C(C=C[N]3CCOC)C=C4,E538343780B4792C_B6ED5FDB236584A4_6041_UN,9.137956,00000000000000000001000000000000000000000000000000000000010000000100000000010000100101100100010111001100010001010101101011100111000011010110001111111001111111111111110,SYKICPWYFQXOOA-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)C2=CN=C(N2C[C@@H]3CNC[C@H]3C)C4CCNCC4)F,BB56299450117F25_546078B1F13E7F52_6034_UN,9.137722,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011000010101000100110010001101011100100110100100110001011011011010110101111010,PUOYHASBMIOPGR-CJNGLKHVSA-N
+N([C@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C5=C4N=N[NH]C4=CC=N5,51A94FD0A0064206_266128A2B85671A8_6038_UN,9.136785,00000000000100000000000000000000000000000010000000001000010000000110011000000101100100010001101111100100110100111100011011001100111111100100001011010001101011110111110,NSWRYZAZFKEQSE-CYBMUJFWSA-N
+N2CC(OC1=C(N)N=CC(=C1)Br)(C2)C3=CC=C(C=C3)Br,99103EBC0D9DED10_1CE40892505D100B_6035_DP,9.136187,00000000100100000000000000000000000000100000001000000000000000100110000000000100001010110010000100101000000100001100000011000111000111110110001111000011110011100111110,GWLAFCJSVAYCBN-UHFFFAOYSA-N
+N2CC(OC1=C(N)N=CC(=C1)Cl)(C2)C3=CC=C(C=C3)Br,17FF79145A498236_D094BC4545199173_6035_DP,9.136177,00000000100100000000000000000000000000100000001000000000000000100110000000000100001010110010000100101001000100001100000011000111000111110110001111000011110011100111110,WKPHRSYCZKEBRK-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C(=CN(C2=O)CCC3=CC=C(CN)C=C3)F,BE3AB1A65DB6ED8D_B21766ACEEE02023_6034_UN,9.1343,00000000000000000000000010000000000000000010000001000000100000010100001100010000001011010000101000101110010100110100011101101101001001111110001111111011011110110111110,OQMMKLQDYGPJDH-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)[N](=O)=O)NCCC2=CC=C(CCCC)C=C2)C,53DD4C22DFF61555_DAB6821B176E0003_6041_UN,9.133951,00000000000000000000000010000000000000000000000001000000100000010000001100000001001000000000001001001010100010010011101100101100001001010000011011011111010110111111110,FKEZLGZHZSMOQD-UHFFFAOYSA-N
+C1C5=C(C2(O1)CCN(CC2)[S](C4=C3C(=C[NH]C3=CC=C4)CC#N)(=O)=O)C=CC=C5,50E51E6881965ECB_FC619272D42D1914_6029_UN,9.133823,00000000000000000000000000000000110000000100000000010001011111001111000001010000010100101011001011101110011001011000011011101100111010001110001011111001110111110111110,ICHRSCQVAYVYDG-UHFFFAOYSA-N
+N1CC2(C1)CC(C2)NC(=O)C4=C(C=C3C=NC=CC3=C4)F,89BEF5116AEAE6BE_132DF25FC3A689A6_6038_DP,9.133162,00000000100100000000000000000000000000000010000000000000000000000110000000000000001000110011100000101100110100111000010011000100100101100110001011000011011010100111110,AKWCXWYBCNWSGI-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C4=C(N2CC=CC3=CC=C(C=C3)Br)CCNC4,1319EA5A452846B5_A226E59869121770_6034_UN,9.132904,00000000000000000000000000000000000000000010001000000000000000000100000000010000101101110001000010111100110100010000001011100100110000100110001011011001010110100111010,WNKOQBJJYMPEOO-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C4=C(N2CC=CC3=CC=C(C=C3)Br)CCNC4,894EA15405D029E7_D63F9D08238BAC76_6034_UN,9.132904,00000000000000000000000000000000000000000000001000000000000000000100000000010000101101110001000010111100110100010000001011100100110000100110001011011001010110100111010,NWSONFKYENZPFR-UHFFFAOYSA-N
+O([C@H]1[C@@H](NCCC1)C(F)(F)F)C2=CC=C(OCCCCC)C=C2,EC6C7B1405BD0F5B_85A43CEC3406962A_6035_UN,9.132672,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000000011000100101000101111011111101001000011110010100110000101010011110111111111110,KASASSSPXBQJCM-HZPDHXFCSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)NC3=CC(=C(OC)C=C3)[N](=O)=O,4E643C31D15FA064_D4CF507B90374788_7022_UN,9.132423,00000000000000000000000010000000000000000000000001000000100000010000001100100000100001100100011100000110010000000100000100101111001001010000011111101111100011111111110,FKVWQGMNPGVIIE-UHFFFAOYSA-N
+CC1(C)CNCCN1CCOC3=C(C=C(CN2CCN(C)CC2)C=C3)N,F6B01FC72FED9626_4B27171A1CD6E6B7_6035_UN,9.132042,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011100001010100101000100011011101101011100011110111010110011111011111110111101111110,YSQUCKWYFXLPFY-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)C2(CC2)C#N)C3=CC=C(C=C3)C4CNCC4,053DC8C5255F960B_EE226A284C2D1620_6035_UN,9.13131,00000000000000000000001000000000000000000100000000000000000000100010000000000000001100100011000010001000100001011100001001000111010000000110001101010001110101100111110,VRHYRRXQWUCAHI-UHFFFAOYSA-N
+O=[N](=O)C1=C3C(=C(C=C1)C2=C(OC)C(=CC=C2)O)CCNC3,5A071401370BEF19_D21DAB0957CD432C_6004_UN,9.131133,00000000000000000000000010000000000000000000000001000000100000110000001110000000101000100001011000101110110000010100001101101111111101010111101111111011110011111111110,PBMWVDPGBPJPIV-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1N)COC2=CC(=C(C=C2)F)[N](=O)=O)C3,9965F72E57269C5E_1BEAFADD03925B86_6035_DP,9.130924,00000000000000000000000010000000000000000010000001000000100000010000001100000000001010110011001001101110110101010100001101101111111101110110001111111011110111110111110,PBWRKRCXZRVMHS-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1N)COC2=CC(=C(C=C2)Br)[N](=O)=O)C3,380320CD49AC38FB_6A4ECCB321889D8B_6035_DP,9.130903,00000000000000000000000010000000000000000000001001000000100000010000001100000000001010110011001001101110110101010100001101101111111101110110001111111011110111110111110,UUTSWHXLZMOFSH-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1N)COC2=CC(=C(C=C2)Cl)[N](=O)=O)C3,C72D49900B5B6132_B09532B8C40D02FD_6035_DP,9.130896,00000000000000000000000010000000000000000000000001000000100000010000001100000000001010110011001001101111110101010100001101101111111101110110001111111011110111110111110,HLBVLNCZHMDKRI-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OC(=O)C=C2)[S](C3=CC=CC4=C3[N](C)C=C4)(=O)=O,F72F179B7DBBB9FE_DAEF7A68DADAD9FE_6028_UN,9.130265,00000000000000000000000000000000110000000000000000010001011111001101010001010000110101001000011011100110011000001100010011111101001001011100101101101001101010111111110,NVWRBLPLJCMNRZ-UHFFFAOYSA-N
+COCCC1=CC(=C(C=C1)OC2=CC=C(C(=C2F)C)C#N)Cl,87CCA163191167CE_907D0600798C6B4E_6003_UN,9.130049,00000000000000000000000000000000000000000110000000000000000000000000000000000000000000110000010000000001000101000101101000000111000010100000000111010110110101011111110,VAFSGSWWCLXMBF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=O)N(C=C2I)CC3=CC=CC4=C3CCNC4,E6AF64162F4824B7_2F1720B8B575FFBF_6034_DP,9.129877,00000000000000000000000000010000000000000010000000000000000000000100000000010000001001110001100000101100110100110100011011100101110000100110001111011011011110100111110,GWKQWRAHDKCYHY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=O)N(C=C2Br)CC3=CC=CC4=C3CCNC4,A2B091BD9FFF6343_3151BC3706561679_6034_DP,9.129877,00000000000000000000000000000000000000000010001000000000000000000100000000010000001001110001100000101100110100110100011011100101110000100110001111011011011110100111110,JYESVUGCXZEGNP-UHFFFAOYSA-N
+C(C1=NC(=CC=C1)C#N)=CC2=C[NH]C3=C2C(=C(OC)C=C3)[N](=O)=O,5B7053A38FC257DF_074DAB02936298DE_7019_UN,9.129858,00000000000000000000000010000000000000000100000001000000100000010100001100000001100100000100011110110110010000000100000111101111001001010100001111101011100011111111110,SARHYWKPFIHBSS-UHFFFAOYSA-N
+CC2=C1C(=C[NH]C1=CC=C2)COC(C3=CC=CC4=C3OCCNC4)=O,E0D3E4259C1EC2A6_DE8FB76E3A48488B_6038_DP,9.129667,00000000000000000001000000000000000000000000000000000000010000000100000000000000001100100111000111001100110011010100001011010110110110000110001011110001111111111111110,UCPLWGHCPWCCKG-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N=C(CBr)N(C2=O)CC3NCCC4=C3C=CC=C4,78DEB749C193CA3F_E3EBFBE78D3BAE2C_6034_UN,9.129251,00000000000000000000000000000000000000100000001000000000000000000100000000010101101001010001100001101101110100110100011011100101110000100110001111011011011110100111110,DXBWPHQDBZUQDY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=CO1)C#N)NC3=CC2=C(OCCNC2)C(=C3)Br,8AC0E3ABBC04CE94_4D4C813A492D87BA_6026_DP,9.129051,00000000000000000001000000000000110000000100001000010001011111001001010011000000011100111001001111001110111101011100011011001100111111111110101010111011110011110111110,JAJFJTDOCLAIQN-UHFFFAOYSA-N
+O=C3C=CC1=C(C2=C(C=C1)C=CC=N2)N3C[C@H]4[C@@H](CNC4)C5=CC(=CC=C5)F,466E3C01E62ABF15_C69DBCBC9A2574C4_6034_UN,9.12885,00000000000000000000000000000000000000000010000000000000000000100100000000010001101101110011100010101100010100100100010011100101110000100110001111001011011110100111110,AXOJVUJQIHYBNQ-ICSRJNTNSA-N
+NCC2(OC1=C(C(C)(C)C)C=C(C=C1Br)Br)CCNCC2,965741DCBCB081E7_C0575E765D5E5378_6035_DP,9.128505,00000000000000000000000000000000000000000000001000000000000000000010000000100000001010110011000101101000100100011100001001000011110110100110011111010111110101101111110,CDBMSWUFXIGQDT-UHFFFAOYSA-N
+NCC2(OC1=C(C(C)(C)C)C=C(C=C1Br)I)CCNCC2,ED730E886315BB78_224ECD6348F15F6F_6035_DP,9.1285,00000000000000000000000000010000000000000000001000000000000000000010000000100000001010110011000101101000100100011100001001000011110110100110011111010111110101101111110,TWYVNQFZKATGGN-UHFFFAOYSA-N
+CN4C(=O)CC1=C(C=CC(=C1)NC3=CC2=C([N](C)C=C2)C=C3)C4=O,E12B315FC697F376_E00FB94A67DA0116_6041_UN,9.127196,00000000000000000000000000000000000000000000000000000000000000000100000000010000000101000101110010100100010000110000110011100101000011011100001111001111001010111111110,BDRQBJGXYXEONU-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)N[C@H]2CO[C@H]3CNC[C@@H]23,C471EF5270DAA1FC_B6600A5CB8099E9F_7022_DP,9.127169,00000000000000000000000000000000000000000010000000000100010000000000000000000000101100110011000111001101111101011100000011000011110111110110001110000011110011110111110,QWAMSARCIFBUAW-PEXQALLHSA-N
+FC1=CC2=C(C=C1)C(=CC=N2)NC3=CC5=C(C=C3)OC4(CCCC4)O5,1F4A0112671E17F0_8603850A205384E4_6041_UN,9.127019,00000000000000000000000000000000000000000010000000000000010000000100000010000000100100010000000011100100010100001100001011010100010011110100001011010001100011110111110,FKBZJAUOVOGVDD-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)NCCC2=C(OC)C=CC(=C2)C)[N](=O)=O,C451FB4074370E6A_35280BBD1CB16305_6041_UN,9.126467,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000000011000001010100010010100001100101111001001010000011111111111110111111111110,ZOOSJXXFSIHVQU-UHFFFAOYSA-N
+CN1CC(C1)OC2=CC3=C(C=C2)[NH]C(=N3)C4=CSC=N4,81153279090D8DE3_41252F969049ADAB_6035_UN,9.125493,00000000100100000000000000000000000010100000000100000000000000100100000000010101000101101000010111001100010000000101000011100111000010000110001100001001110011101111110,ZVVWBFPJLOHUML-UHFFFAOYSA-N
+N1CCC[C@H]1CCNC(=O)C3=CC2=C(C=CC=C2F)[NH]3,4103743582DC90A9_70A4839980DF31E3_6038_DP,9.124815,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100010011100110001100110100110000011011000100110100100110001000010001011110100111110,OPDGBBZHKQOADD-JTQLQIEISA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NC3=CC=C(C=C3)N4CCCC[S]4(=O)=O,939042D3D5295BC8_71202A0397BDB6A7_6041_UN,9.124756,00000000000000000000000000000000110010000100000000010101001011100101000001010000110100001000001010101110011000011000011011101101111111011110001101011011010010110111110,ZXTAMAMOKBIYAV-UHFFFAOYSA-N
+COC2(COC1=C(N)C=C(C(=C1)Cl)C(F)(F)F)CCNC2,7A401CFCFEF243BF_442DBC1520A795EE_6035_DP,9.1243,00000000000000000000000000000000000000000010000000000000000000000010000010000000001110110011010111001001101111011100101001000011110111110110001110010011110111111111110,QDYUTUFEZIUYQZ-UHFFFAOYSA-N
+COC2(COC1=C(N)C=C(C(=C1)F)C(F)(F)F)CCNC2,65D55BCA916D1F7F_BD10EAD00A9FFDD2_6035_DP,9.124272,00000000000000000000000000000000000000000010000000000000000000000010000010000000001110110011010111001000101111011100101001000011110111110110001110010011110111111111110,NTSMOTIUOOVDLD-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C(=CC=C3)C4CNCCC4)F,EBA70FAA3D67E15B_30685D4DB64FACAC_6035_UN,9.124177,00000000000000000000000000000000000000000010000000000000000000100000000000000000001100110011000111101000100100010100001011000111110110100110001111010011110001100111110,GVIDWKJEYJTDJX-WVGSSIFTSA-N
+N2CC(COCC1=CC(=C(C)C=C1)C#N)CC(C)(C)C2,F863242568D18EF9_E8BD93400D4F74E2_6039_DP,9.123662,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100010000001101000000011001001000001000010100000000110011011000111010101101111110,QWNOTDLMOMOLMV-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2CN(C2)C3=NC=NC=C3,637077E2392723CC_9FF6DE9150172858_6041_UN,9.122917,00000000100100000000000010000000000000100010000001000000100000110100001100010101100001110011001000101010100100010010000111101100001001110110001011001011010110111111110,UDRHPLUGFGRMGW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2)N(OC)CC3C4=C(OC3)C=CC=C4,D4826EEAA66D7C05_0449B59150C0F044_7022_UN,9.122387,00000000000001000000000010000000000000000000000000000000010000000000000100000000000100000000011011001110010001000100101010101110000011010110000011111000110111111111110,YSSXIBAVBRCCDR-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=N1)Br)(C2)C3=CC=C(C=C3)Br,E26621311F87AD05_5EED70B52E3995E7_6035_DP,9.122182,00000000100100000000000000000000000000000000001000000000000000100110000000000001001010110010100100101000000100101100010011000111000111110110001111000011110011100111110,HQGCSGMSZUDGBK-UHFFFAOYSA-N
+CC3(C)[C@@H](OC2=NC1=C(C)C=CC=C1C(=C2)C)[C@@H]4CCN[C@H]34,68FA660B1CA21BBD_6D51A565B7F5FA4E_6035_UN,9.121516,00000000000100000001000000000000000000000000000000000000000000000110000000100000001100000011100011101100110010111100011011000111000000000100011101010111110011101111110,IPKVJSDHDAHFTP-JLSDUUJJSA-N
+CC5CC1=C(C=CC(=C1)COCC2=CC(=C3C(=C2)OCO3)C4=C(C)[N](N=C4)C)O5,AB4D3D1887DD1791_A144171F9611C7AC_6039_UN,9.121455,00000000000000000000000000001000000000000000000000001000010000100100000010010000100100100000011010000100010001000101000011111110100010000110111011101110110111111111110,BQAWMEGNAFHXAB-UHFFFAOYSA-N
+N3C[C@@H]2CC[C@@H](OC1=C(C=C(C)C=C1Br)CC=C)[C@@H]2C3,410503B8E7186FDE_6FEAA986D68052D7_6035_DP,9.1207695,00000000000000000000000000000000001000000000001000000000000000000000000000000000001100110011000011011100010110000100001001000011110010100110000110010011110101101111110,FRTRUELDQABQRF-SQWLQELKSA-N
+O(CC1=CC2=C(C=C1)[NH]C=C2)C3=C(C=C(C=C3)[N](=O)=O)C#N,C90A9AAC38A0EE70_DA40D2CA2202062B_6035_UN,9.120306,00000000000000000000000010000000000000000100000001000000100000010100001100000000000100000000001011000110010001000100000101101111001001010100001111101011110111110111110,CUIVWWMOWVQAOD-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=C(C=CC(=C2C)C)C,15EC17CFA7445E51_5EBF9EE0635A5FD9_6035_UN,9.119885,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000000011000001101000101111011100001001000011110000100110010111010111110111101111110,LVIINCJBPWWUAS-ZFWWWQNUSA-N
+O(CC1=CC2=C(C=C1)[NH]N=C2)C4=C3CCNCC3=C(C=C4)[N](=O)=O,630BE2528A1F5DF6_0F5EEE7248633082_6003_DP,9.11959,00000000000000000000000010000000000000000000000001001000100000010100011100000000101100100001001010101110110001010100001111101111111101010110001111111001110111110111110,PFVVPSDOOLLNPA-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NC2=C(COC)C=C(C=C2)F)F,FBE5B40AFD6FDC9A_B92BD66489274DED_6041_UN,9.118872,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000110010011001000010000101000001000100101110001001110000001011101111010111111111110,OPBKOJPGPCQIQZ-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=C(C(=C2)Cl)C(F)(F)F)C(F)(F)F,838DB1AE52EB462E_B237CA402C57EDC4_6035_DP,9.117046,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000100101001101110011100101001000011110101110110001111010011110011101111110,VCCDHRMPKSRWQX-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=C(C(=C2)F)C(F)(F)F)C(F)(F)F,EC18A713AA35DDA7_4B0A9C85066F85F8_6035_DP,9.117033,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000100101000101110011100101001000011110101110110001111010011110011101111110,DPKJRQYRFMIMTF-UHFFFAOYSA-N
+N3CCC[C@H](OCC1=CC(=CC(=C1)C2=C(C(=C(C(=C2F)F)F)F)F)F)C3,A8DCE4672F89E12D_DC3E13FA64B63A61_6039_DP,9.115726,00000000000000000000000000000000000000000010000000000000000000100000000000000000001000110011000100101000100101010000001001000111110010100110000111010011110101100111110,PWLDYOBFCMFLRH-LBPRGKRZSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)C3(CNC3)CCC4,D6921525143C991C_A5ECC8D2765C30EE_7017_UN,9.115164,00000000100100000000000000000000110000000000000000010001001111001011000001010001011100111011001010001111011100011000011011101100111000101110001001011001010010110111110,QTDZYKBBAXWAFX-UHFFFAOYSA-N
+NCCNCCOCCOC1=CC3=C(C=C1)NC2=C(C=CC=C2)C3=O,DD909B97FC0F4DA0_53188B2F5882A944_6035_UN,9.114265,00000000000000000000000000000000000000000000000000000010000000000100000010000001001010100001000101101100110001010100001001000111110110000110001101110001111111110111110,JLLOKDUXTKMVGL-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)C=NC=C2Br)CC3=CC=C(C4=C3CNCC4)N,786FDDF44926416D_EED0E3B96497F7A1_6031_DP,9.113658,00000000000000000000000000000000000000000000001000000000000000000100000000000000001010110011000000101100110101010000001011010110110101110110001011010001011111110111110,CWAWHDTWKVSGHK-UHFFFAOYSA-N
+N(C2=C1C=C[NH]C1=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN[S]4(=O)=O,591E73FDA647D7CF_6983323F1D905CB6_6038_UN,9.113408,00000000000000000000000000000000010010000000000000000101001011100101010001010101111100001011101010001110111000111000011011101101001101011110001101111011011010110111110,MNHIYQHPCXVZMN-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=C(CNC)C=CC=C2Br,5C9A461CCD3B683D_A895C8F9EBDF1D39_6035_DP,9.112893,00000000000000000000000000000000000000000000001000000000000000000010000000110001001001110001010101101000100110011101101011100011110110100110011111011111110111101111110,SCYHWYQCXCQYOS-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)NC4CC3=C(C=C(OC)C=C3)OC4,8AC446857960343F_FE3E4AD01D9D1794_6026_UN,9.112229,00000000000000000000000000000000110000000000000000010001011111001001010001000000010000001100011100100110111001011100010000001111101001001100100111101101110011111111110,JKVPEFDOOWXXKB-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)C2CCNCC2)C3=C(N)C=CC(=C3F)F,F738D58C01DC610B_1BB7E7D0F57B490B_6035_UN,9.110562,00000000000000000000000000000000000000000010000000000000000000100000000000000000001010110001000100101000100101010100001001000111110101110110001111010011110111100111110,SIUDXJKDWBHBJW-UHFFFAOYSA-N
+CCC1=CC2=C(C=C1)CCN(C2)[S](C3=C[NH]C4=C3C=CC=C4)(=O)=O,C7C0DF646267A991_7BEA400EC1AFA44D_6029_UN,9.110469,00000000000000000000000000000000110000000000000000010001001111001101000001010000110100101000001011101110011000011010011011101100111000001110001011011001010110111111110,DQKNRRBUYFXEHN-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=C(C=CC(=C1)C(F)(F)F)Cl)[C@@H]3CCN[C@H]23,C8D6BAB4FAFF079E_3671830B481D7946_6035_UN,9.110211,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100010011000011001001111110011100001001000011000000100100000110010111110011101111110,IIGFYEXAQQWNRZ-ICCXJUOJSA-N
+CC2(C)[C@@H](OC1=C(C=CC(=C1)C(F)(F)F)F)[C@@H]3CCN[C@H]23,B9D9C71BDE6B9517_AD5CBA0E2EA75F2C_6035_UN,9.110203,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100010011000011001000111110011100001001000011000000100100000110010111110011101111110,VLHGPORNYWDEGI-ICCXJUOJSA-N
+CC2(C)[C@@H](OC1=C(C=CC(=C1)C(F)(F)F)I)[C@@H]3CCN[C@H]23,3F7B94EC7039E1F2_9DEE81FBF586D4BA_6035_UN,9.110195,00000000000100000001000000010000000000000010000000000000000000000010000000100000001100010011000011001000111110011100001001000011000000100100000110010111110011101111110,TWEMRSPMEPFVML-ICCXJUOJSA-N
+CC2(C)[C@@H](OC1=C(C=CC(=C1)C(F)(F)F)Br)[C@@H]3CCN[C@H]23,8001D5FA8EECD531_733152E2BD198993_6035_UN,9.110194,00000000000100000001000000000000000000000010001000000000000000000010000000100000001100010011000011001000111110011100001001000011000000100100000110010111110011101111110,FQEUOTJYZHHICP-ICCXJUOJSA-N
+N3CCC2CC(OC1=C(C=CC=C1)SC(F)F)CCC2C3,AC12F75B1D676058_8C0DD809A6D4FE73_6035_DP,9.109918,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000101011000000101100111100010100001001000011110010100110000111010011110001100111110,VSPSLLOTSJRAQF-UHFFFAOYSA-N
+N(CCOC1CC1)[S](C2=CC3=C(C=C2)[NH]C(=C3)C#N)(=O)=O,AEF5EE1859A92540_F7D4F11D7CDA3C00_6029_UN,9.109259,00000000000000000000001000000000110000000100000000010001001111001101010001000001011100001000001110001110111001011000011001001111111110001110001100111001110111110111110,DQIOQARXKYHXAJ-UHFFFAOYSA-N
+N2CC[N]1N=CC(=C1C2)SC(=O)CC3COCC4=C3C=CC=C4,25EF53D1B458790B_DBA20B9F1F701AE1_6038_DP,9.109194,00000000000000000000000000000000000000000000000000001000010100001100000000000001111100101001001010101100110001010000001011101100110010000110001011011001011111110111110,XUPSYHXLEJNPGK-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C[S](=O)(=O)C2)C(=O)C3=CC(=CN=C3)C4=CC5=C(C=C4)OCC5,1CA9A4F9AF5D0EC4_E7395A8EDCAED946_6038_UN,9.109189,00000000000000000000000000000000000010000000000000010001011011100101000001000000100100101001100011100110010001101100011011001101011011011110101111111001111011110111110,AERVRSVSKBCRDR-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NCC2=NC=C(CC)C=C2,B913BC1605210D28_7C5EDE3BBCE7C3D7_6041_UN,9.108696,00000000000000000000000010000000000000000010000001000000100000010100001100000001101000010010001000101010000100010010000101101100101001110100001011001111010110111111110,MAFVOOJBTUHVJK-UHFFFAOYSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NC3=C(C=C(C(=C3)F)C#N)F,948E382B8BD30A65_E705A3BC64CFA08B_6041_UN,9.108435,00000000000000000000000000000000000000000110000000000010000000000100000000000001000100010011000010000100010100010000000001000100000101110100001011000011000110100111010,GTDUXCKFZACXHK-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC3CNCC34CCOCC4,6CF723974B8E6206_875D03126B378068_7022_DP,9.108375,00000000000000000000000000001000000000000010000000000110010000000010000010000001101100110011000011101100110101011100001011010000110111110110001011110011110011110111110,WLBNKAWAVUUFRC-UHFFFAOYSA-N
+C1(=CN=C(C=C1)N2CCSCC2)NC3=C(C=CC=C3)SCCC#N,47D31A36168F4A33_FDB2F746F81A9A6A_6041_UN,9.108315,00000000000000000000000000000000000010100100000000000000000100101100000000010101010001101001000000101000000000010000001011100100110001010110001011011011010110100111010,OCERDDFJNNEMSF-UHFFFAOYSA-N
+N3CCCC(N)(COC1=CC2=C(C=C1)[N](C(=C2)C)C)C3,B70CA8029B2AAED5_E3DD1E4FE4442AF8_6035_DP,9.108106,00000000000000000000000000000000000000000000000000000010000000000110000000010001001111100011010111101100110001011100001011100111110101000110001111011111110111101111110,DTGIDVHSQNCMLL-UHFFFAOYSA-N
+C[C@]56CC[C@H]3[C@@H](CC=C4C[C@@H](OC2=C1C=CC=C(C1=NC=C2)Cl)CC[C@]34C)[C@@H]5CC=C6C7=CN=CC=C7,C4DD8922CB617D85_DF493B530DCCE557_6035_UN,9.107384,00000000000000000000000000100000000000000000000000100000000000100110000000001000000000010000000011110101010110001101101011000111110010100100001101010110100011001111110,ZHALOSOLKBIALK-FDIBGDSYSA-N
+C[C@]56CC[C@H]3[C@@H](CC=C4C[C@@H](OC2=C1C=CC=C(C1=NC=C2)F)CC[C@]34C)[C@@H]5CC=C6C7=CN=CC=C7,293A30F6F89B09D9_71A181436CAB7EF0_6035_UN,9.107359,00000000000000000000000000100000000000000010000000100000000000100110000000001000000000010000000011110100010110001101101011000111110010100100001101010110100011001111110,DHRVPLCJCRQXHO-FDIBGDSYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)O[C@@H]3CNCC[C@H]3C,CE7687202A103845_EF4A81EB83CFF370_7022_DP,9.106394,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010100101100110000010101101001100111110011010110011101011111110011101111110,PBUCWOAEHPYIPN-FZKQIMNGSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(C=C2)C(F)(F)F)C#N,C08DAB73409A1339_2B9BF848BA7C1EFE_6035_UN,9.105811,00000000000000000000000000000000000000000110000000000000000000000010000000110001001001100001000100101000101110011101101011100011110010100110011111011111110111101111110,RKFIJIOZKOKOQZ-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCC2)NC3=CC(=C(C=C3F)[N](=O)=O)C,700140C2E4047D1C_3C788F2C084F4ED2_6041_UN,9.105595,00000000000000000000000010000000000000000010000001000000110000010100001100000001000100010001101010100110010101100100011111101100001011110100001011111011010011111111110,GWVQXZBQQQPCKA-UHFFFAOYSA-N
+CC1=C(C(C4=C(N1C[C@H]2[C@@H](CNC2)C3=CC=C(C=C3)Cl)C(=CC=C4)F)=O)C,2B9405365916C237_D8A7D9BD9F7C2C2C_6034_UN,9.105069,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011000011101101010110000100100011100101110000100110001111001111111110101111110,LNHVSUBXFXHJFV-LPHOPBHVSA-N
+CC1=C(C(C4=C(N1C[C@H]2[C@@H](CNC2)C3=CC=C(C=C3)Cl)C(=CC=C4)Cl)=O)C,9026AF6C81992D8A_2057649298CE4011_6034_UN,9.105053,00000000000000000000000000000000000000000000000000000000000000100100000000010000101101110011000011101101010110000100100011100101110000100110001111001111111110101111110,MBAPOCVBIDSGMJ-LPHOPBHVSA-N
+CC1=CC=C(S1)C2=NC5=C(C(=N2)NC3C4(C(OC)C3C)CCC4)C=CC=C5,2F9036FF441F13DD_525256908F3EDF6F_6041_UN,9.1032,00000000000100000000000000000000000010100000000000000000000000100110000000000100110100001011010011100100010010001000001011000111000001010100011101010111100011101111110,HWTYZDAMAYRIJL-UHFFFAOYSA-N
+CCOCC(OC2=CC1=C(N)C=CC(=C1C=C2)C#N)CN3CCNCC3,1944B94A4FCDD5C3_49EFBD77E11E3370_6035_UN,9.1031,00000000000000000000000000000000000000000100000000000000000000000000000010010001001011100001000101101100110001010110101011100111110111010110001101011001110111111111110,FESFCJCYMFEESA-UHFFFAOYSA-N
+N2C[C@@H](OCC1=C(C(=C(F)C(=C1F)F)F)F)[C@H](CC#N)C2,3C08346B17147BAE_2CBCFB569909BE28_6039_DP,9.102136,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100110011000111001000000101010000000001000011110010100110001110000011110101100111110,UFOGXSTYEXPYGD-HTRCEHHLSA-N
+FC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CCC4CCCNCC4,613BDAE19D9A9A41_C8CB9A29458CECA9_6034_UN,9.101011,00000000000000000001000000000000000000000010000000000000000000100100000000010000001101110011000010001100110100010000001011100100110000100110001011011011010110100111010,LFKDTSNTVUBXGA-UHFFFAOYSA-N
+S(C1=CC2=C(C=C1)OCC2)C(C4=C(C3CNC3)OC=N4)=O,6B5B76AC9EDDA704_EDA6F52A2D19B289_6038_DP,9.100832,00000000100100000000000000000000000000000000000000000000010100101100000000000000011100101110000111001100010001100100011011000100000010000110001010110011111011110111110,YVAOVNKJEWDVGC-UHFFFAOYSA-N
+N#CCC1=CC2=C(C=C1)[N](C=C2)CC45OC3(CNC3)C(C4)(N)C5,389298D716F4E022_0F4E48C7CB410480_6034_DP,9.100761,00000000100100000000000000000000000000000100000000000100010000000110000000010000101111100011000111001100110000011000000011100100110111000110001000001001110111100111110,XOJSDCRYGMOZKF-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NC3=C(C=C(CC)C=C3)Br,A7DCEEBAD50E24E4_7CC890CCE61C5386_6026_UN,9.100516,00000000000000000000000000000000110000000000001000010001001111001101010001010000010101011000011010000110011100001010010001101100001001111100001011001111000110111111110,JGDLPSKBDOUBOO-UHFFFAOYSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C4=C3C=C(C=CC3=CC=N4)Br,EBFCD55BB707D2A1_2E5EDA5AD2421C35_6035_UN,9.099996,00000000000000000000000000000000000000100000001000000000000000000100000000000100000000010011100100100100110100110100011011000111110011110100001101010011100011100111110,UNGOMUBZIWAEGC-ROUUACIJSA-N
+O([C@H]1CCCC[C@@H]1NC2=NC=C(C=C2)Br)C4=C3C=C(C=CC3=CC=N4)Cl,4ECC64E719EC1E99_F183726FD92A1EA9_6035_UN,9.099981,00000000000000000000000000000000000000100000001000000000000000000100000000000100000000010011100100100101110100110100011011000111110011110100001101010011100011100111110,KTUSKZDWWBRZCK-ROUUACIJSA-N
+CC[N]3C=C(O[C@@H]1CNC[C@H]1OC2=CC(=C(C=C2)Br)C(F)F)C=N3,235F90F05C41B40B_F8CC7759E5218216_6035_UN,9.099883,00000000000000000000000000000000000000000010001000001000000000000100000010010000101100110001001111001000000100010110000011101111010010100110001110001011110111111111110,GBIIWLLDYSOHJW-HUUCEWRRSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC3=CC2=C(C=C[N]2C)C=C3,650BD0BC1E669D9E_11C7AD6D2DAC1B91_6041_UN,9.098233,00000000000000000000000010000000000000100000000001000000100000010100001100010101100101000000011111100110010000000100000111101111001001010100001111101111100011111111110,KQRNQZYLXZOWQP-UHFFFAOYSA-N
+COC1=CN=C(C=C1)NC2=CC=C(SCCN(C)C)C=C2,1D8B33EA2FB9B314_CA3B64E8C3734E0E_6041_UN,9.097688,00000000000000000000000000000000000000100000000000000000000100001100000000100100010001101000010100101000000000010101101001100111000001010110011101011101110111101111110,VNKYUMOEZVADPT-UHFFFAOYSA-N
+O=[N](=O)C2=C(C=C1[NH]N=CC1=C2)NCC3(OC)CNC3,E48B2AE9C11534F0_3EA4C231D7B9197A_6041_DP,9.097189,00000000100100000000000010000000000000000000000001001100100000010110011100000001101100100010011111001110010000001000100111101111101111010110001110101011110111111111110,YICHZKYFQFFNFC-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=C[NH]1)NC2=CC3=C(C=C2)CCOB3O,878743ED91733F50_BC9A7D6BB0287DF4_6041_UN,9.09702,00000000000000000010000010000000000000100000100001000110110000010100011100000101100100000011001111100110010001000000001111101101001111010101101111111011010011110111110,VVAPXVOKDZZQCB-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NC2=C(C(=C(OC)C=C2C)C)C,BD33A61F2879EBFA_DA9B7837D7284B35_6041_UN,9.096422,00000000000000000000000010000000000000000000000001000000100000010000001100000001000000000000011001000010000000000100000100101111001001010000111111101111100011111111110,WHYBLNAYYBQUHS-UHFFFAOYSA-N
+N1C[C@H](C[C@H]1C(=O)OCC2=C[NH]C3=C2C(=CC=C3)F)OC(F)(F)F,5E8F8A9271E261DF_7C0D45978F60A0C8_6031_DP,9.096113,00000000000000000000000000000000000000000010000000000000000000000100000000000000001100010011000111001100111101011000000011010111110110100110001100100001111111110111110,GRXVPWPLNXEUQG-CABZTGNLSA-N
+N3CCC1(CC1(COC2=C(C=CC=C2)SC(F)F)C#N)CC3,596CBF41DE5047FA_197BF85CA3B15E69_6035_DP,9.095783,00000000000000000000001000000000000000000110000000000000000100001010000000000000011000101001000001101000111101011100001001000011110000100110001111010011110101100111110,IWIMKJXLXVMVDT-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NCC3=C4C(=CC=C3)CCO4,F74843BA272EC2CA_891613EF7F541E48_6026_UN,9.0956,00000000000000000000000000000000110000000000000000010001011111001001010001100000011101101000011011001110011001001100011000101100101011011110001011111101110111111111110,UHOMGMPGURESKV-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NCCC3(OC)CNC3,45998E2348FC6F13_14B6FB01E42D63D0_6041_DP,9.095403,00000000100100000000000000000000000000000100000000000000000000000010000000000000001000100011010101001100110010011000101001000111110111010110001101010001110111101111110,PTKRQMYJYXNKBG-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NC3=C(C=C(CC)C=C3)Br,5BB1C995D08EFA7E_FA795339F05DCC12_6026_UN,9.094704,00000000000000000000000000000000110000000000001000010001001111001101010001010000010101011000011010000110011100001010010001101100001001111100001011001111000110111111110,VVRPKXZFBTXPAU-UHFFFAOYSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CC4=CC(=CC5=C4N=CC=C5)F,B66A29B74E8C46D6_A41718F96701E92F_6039_UN,9.094444,00000000000100000000000000000000000000000010000000000000010000000110000000000000000000010100000001100100010101001100001011000111110010100100000111010000110111010111110,JVYGIDCPTIZINY-FQEVSTJZSA-N
+FC2=C1C=CN=C(C1=CC=C2)NC3=CC5=C(C=C3)OC4(CCCCC4)O5,BF0D572456B824B6_D5F4BA0E5D1848A4_6041_UN,9.094196,00000000000000000000000000000000000000100010000000000000010000000100000010000100000100010000000011100100010100001100001011010100110011110100001011010001100011110111110,JEFOJBDNCCSLHO-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)N=CC(=C2)Br)CC3=CC=C(C4=C3CNCC4)N,73D455CC6A4B1AD2_E7698D163FBC82C0_6031_DP,9.092813,00000000000000000000000000000000000000000000001000000000000000000100000000000000001010110011000000101100110101010000001011010110110101110110001011010001011111110111110,WOXGVKZAFFRUGI-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC4=C[N](C3CCNCC3)N=C4,5A368E612F12B2DB_720F0C78EE3DC170_7022_DP,9.091772,00000000000000000000000000001000000000000010000000001000010000100100000010010001101100110001001011101100110101010100001011111100110101110110001011011011110011110111110,HCGCHFCKWLFFNJ-UHFFFAOYSA-N
+NC3CNCC(OC2=C1C=CC=CC1=C(N)C=C2Cl)C3,C6E5FCC0856A0AF0_663C52AC793AC1C0_6035_DP,9.091398,00000000000000000000000000000000000000000000000000000010000000000000000000000001001010110011000101101101110100010100000001000111100111110110001111000011110011100111110,NPJUOJYIGPNYLE-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)N4CCCC(CC3=CC=C(OC)C=C3)C4,3D19F1DD66ACD5B1_3B248EC06FF16F31_6026_UN,9.0911875,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100101000011010101110011000011100011011101111111000001110001101111001110111111111110,YFRUERUYWNITBO-UHFFFAOYSA-N
+CC3(C)[C@@H](OC2=CC1=C(C=C(C)C=C1)C=C2)[C@@H]4CCN[C@H]34,382666C99D9EF71A_9229043641604AAA_6035_UN,9.0906105,00000000000100000001000000000000000000000000000000000000000000000010000000100000001100000011000011001100110010011100001001000111000000000100010101010111110011101111110,BNELUUZGMIHHFW-SQNIBIBYSA-N
+N3CCC(C)(CNC(=O)C2=CC1=C(C=C(C(=C1)Cl)Cl)[NH]2)C3,9ABD344DF9CDABCA_9C3C6CAAC3D3C728_6038_DP,9.089988,00000000000000000000000000000000000000000000000000000110000000000110000000000001101100110011100110001101110110111001111011000100110100100110001010010011011110101111110,VDSUDXZGQFUCJI-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C4=C(N2CC=CC3=CC(=CN=C3)Br)CCNC4,57A39D8808654011_3328AA5B1AAD8826_6034_UN,9.089738,00000000000000000000000000000000000000000000001000000000000000000100000000010000101101110001000010111100110100010000001011100100110000100110001011011001010110100111010,GPOIRBLHZCWVEM-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C4=C(N2CC=CC3=CC(=CN=C3)Br)CCNC4,311BB94E2A6FFC78_4731D2CB50343320_6034_UN,9.089723,00000000000000000000000000000000000000000010001000000000000000000100000000010000101101110001000010111100110100010000001011100100110000100110001011011001010110100111010,GFVOCWRAUHLEGN-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1OC(=O)CC2=CC3=C(C=C2)[NH]N=C3)C4,2BEFDA4CDC8D5A04_362855419C92AB10_6038_DP,9.089689,00000000000000000000000000000000000000000000000000001000000000000100010000000000101100100001001010101100110000010100001011011111110110000110001111010001111111110111110,LAQJJWJCRKLJJN-UHFFFAOYSA-N
+CC1=C(C(C4=C(N1CC3CNC2(CCC2)C3)C(=CC=C4F)F)=O)C,43005F9A105C58C4_0AD215CF1A75025D_6034_UN,9.089432,00000000000100000000000000000000000000000010000000000000000000000110000000010000101101010011000011101100110110011100101011100101110000100110001111011111111110101111110,AUIZKCKAYJGMBB-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NC3CCC4(CC3)OCCO4,C98C2CBEFB9946BE_D58E77F7C4146A51_7022_UN,9.08923,00000000000000000000000000000000000000000000001000000000010000000000000010000000000100010010000010000100110101011000001010010100110011110110000011010011110011110111110,SWAHCGSUKLWQKW-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CCC4(CC3)OCCO4,F5FFAA554818E009_856E3FC12F9F0E27_7022_UN,9.089224,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100010010000010000101110101011000001010010100110011110110000011010011110011110111110,IWGBQZKFTGOYBG-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)OCC2)[S](C3=CC=CC4=C3[N](C)C=C4)(=O)=O,A1CE3B461050576C_53F0F245FF5DF5FE_6028_UN,9.088783,00000000000000000000000000000000110000000000000000010001011111001101010001010000111101001000011011001110011001001100011011101100101010001110001011111001110111111111110,NSRNZBAJNFVZIY-UHFFFAOYSA-N
+CC3(O)CCCN(CCC#CC1=CC2=C(C=C1)CC=C2)CC3,1FB39DD5EDA909AA_8D1E644CC03015DB_2267_UN,9.088734,00000000000000000101000000000000000000000000000000000000000000000010000000010000000001100011000011011100110010011001101001100001110010000111000110011000110101101111110,ITEFDZMYNJLERQ-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)C=CC=C2)F)N[C@@H]3CCC[C@@H]3[N]4C=C(Br)C=N4,BE0297793140AF56_6FC22AA07799915C_7022_UN,9.088201,00000000000000000000000000000000000000000010001000001000000000100100000000010001100100010011001010000100110100010000001011101100010001110100001011011011000010100111010,YLAAHYDFEDCWOV-WBVHZDCISA-N
+COC1=C(C2=C(C=C1)C=CC=C2)NC4=C(C[S](C)(=O)=O)C=C3OCCOC3=C4,D7D4AD906405A458_46732C153E82B349_6041_UN,9.088059,00000000000000000000000000000000000000000000000000010001011011000001000011000000000000101010010101100110010001001101001010001111001011011110100111111111110111111111110,WFVWXIISBIUVOV-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)OCCC2=O)NC3=CC=C(SCCOC)C=C3,D96E2BBD59564BB3_141A039BEA6DC6BE_6041_UN,9.088056,00000000000000000000000000000000000000000000000000000000010100001000000000000000010000101101010001100100010001000101101000000111000011010110000111110111111111111111110,GBCOAPNJONSDSW-UHFFFAOYSA-N
+O([C@H]1CCOC2=C1C=C(C=C2F)F)C(=O)C4=CC3=C(C=CC=C3)[NH]4,3CDB0D6E831AC4D9_F50F68CCA8B73555_6038_UN,9.088027,00000000000000000000000000000000000000000010000000000000010000000100000000000000000100010100000110100100010101000100001011010111000010100100000111110001111011010111110,OBVDCXVNRBCESX-INIZCTEOSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=C(C(=CC=N3)Br)Cl,B5E72258933418D6_A243E8CF67061FF0_6035_UN,9.08802,00000000000000000000000000000000000000000000001000000000000000100110000000000000001100110011100111101001100100111100011011000111010010100110001111010011110011101111110,NHMZLGZRMTYRDL-UHFFFAOYSA-N
+O(CC1(CCNC1)C2=CC(=CC=C2)F)C3=C(C=CC=C3Br)CC#N,45BA21C5D401FED4_4D445BE00012C0B5_6035_UN,9.087335,00000000000000000000000000000000000000000110001000000000000000100010000000000000001100110011000011001000100101011100001001000111110000100110001111010011110101100111110,ZWXCQSJLKJXQRF-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)O[C@@H]3CCNC[C@H]3C,540E495A7CFB659D_A6C1B3D99C4C6F77_7022_DP,9.087139,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010001101100110010010101101001100111110011010110011101011111110011101111110,XJOLZUXQDJATQI-CXAGYDPISA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=CN=C(C=C2)C3=CC=CC=C3,2318E921EE7E6CF0_EA39D1C672B61501_6035_UN,9.086834,00000000000000000000000000000000000000000000000000000000000000100100000000100001101101100001010111101000000010010100100011100111010011000110001101001111110011101111110,ACCXPVIJXASLBF-IAGOWNOFSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NCC34CCC3CCN4,F0A81BE86D7855D9_2E1B07FE5E52391F_6041_DP,9.085492,00000000000100000001000000000000000000000100000000000010010000000010000000010001101101100011000110101000110001011000001011100000110111010110001011011011010111100111110,WQTCQXDTNHWZDH-UHFFFAOYSA-N
+C2(=C1C(COC1=CC=C2)=O)NC3=CC=C(CSC)C=C3,661C25D7BD5882A9_610EEEC3C6135CFE_6041_UN,9.085005,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100101101010011000100010001000101000000000101000011010110000111000001111111111111110,SNWNJPHBUCTYPU-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C(=O)CC2)[S](C4=CC3=C(C=C[N]3CC)C=C4)(=O)=O,E9883E13266054A0_CDCDEED0767CBF97_6029_UN,9.084316,00000000000000000000000000000000110000000000000000010001001111001101010001010000010101001001001010001110011000001010011001101101001011011100001111111001111110111111110,SXEFETOZXZFBPP-UHFFFAOYSA-N
+N2CCC(CCOCC1=CC(=CC(=C1)C(F)(F)F)N)C2,E7EAEDF3829BA0BA_C864BA4C7B84ABFA_6039_DP,9.084287,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110100011000010001000101101011000001001000010110111110110001000010001010111100111110,IMVABIIMPMJNNX-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C(C4=C3CCNCC3=C(OC)C=C4)=O,91862A6F4C1FFECC_F734DF6EBEBC3CBA_6038_DP,9.08428,00000000000000000000000010000000000000000000000001000000100000010100001100000000101100100101011111101110110010010100001111111111111101011110101111111011111011111111110,FPCCZZZDJMAELA-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=NC=CC1=C(C=C2)NC3CN(C)CC3,FE8B16A091855B86_026CB77BBC45987A_6041_UN,9.083324,00000000000000000000000010000000000000000000000001000000100000010100001100010001100101100011011010101110110010010001101111101100011001010110001001011001010010111111110,BYIVRKVQSSKNPU-UHFFFAOYSA-N
+N3CCC(=CCOCC2=C1N=CC=CC1=C([N](=O)=O)C=C2)CC3,BC847569596FD2A4_2501822F47E65A31_6039_DP,9.083092,00000000000000000000000010000000000000000000000001100000100000010100001100001000101000100001001001111110110001010000001111101110111001010110001001111001010111110111110,CWQAGBFWXZOJHT-UHFFFAOYSA-N
+O(CC2=C1C=C[NH]C1=CC=C2)C3=C(C=CC(=C3Br)F)[N](=O)=O,4090761617705708_9089D57D518AACD8_6035_UN,9.082922,00000000000000000000000010000000000000000010001001000000100000010100001100000000000100010101001110000110010101000100000101101111001001110100001111101011110111110111110,NTXFWSPCBAQHSD-UHFFFAOYSA-N
+N1CCC[C@@]1(C)CNC(=O)C3=CC2=C(C=C(C(=C2)Cl)Cl)[NH]3,CA9FFB6011191A47_D4C873FC049FE945_6038_DP,9.082875,00000000000000000000000000000000000000000000000000000010000000000110000000000001001100010011100110001101110110111001111011000100110100100110001010010011011110101111110,KVYLEOASMYCHFO-HNNXBMFYSA-N
+O(CC2=C1C=C[NH]C1=CC=C2)C3=C(C=CC(=C3Cl)Br)[N](=O)=O,2609FEBB8978392D_FE91A608CA528786_6035_UN,9.082873,00000000000000000000000010000000000000000000001001000000100000010100001100000000000100010101001110000111010101000100000101101111001001110100001111101011110111110111110,YZAHADYNRDJONI-UHFFFAOYSA-N
+CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)NCC(CC)OC4=C(C=CC=C4)C,CDBABF0269222CD0_73CF398D1DAFD580_6041_UN,9.082336,00000000000000000000000000000000000010100000000100000000000000000100000000000100111100001011000110101100010000000111101011000111110011010100011111010111110111101111110,LXORCWOSZFSRNO-UHFFFAOYSA-N
+CSC1=CC(=CC(=C1)NC2CCN(CCCCOC)CC2)C#N,45C66F6A01956379_92BE54EA4A5A0554_6041_UN,9.081651,00000000000000000000000000000000000000000100000000000000000100001000000000010000110001101010010000101000100011010001101001100010110011010110001001011101010111101111110,VOQJKXVQHNNWGZ-UHFFFAOYSA-N
+N1CCCNCC1COC2=C3C(=C(N)C=C2)C=CC(=C3)Cl,CF80CF434FE357D4_507DA9DB38E16125_6035_DP,9.081325,00000000000000000001000000000000000000000000000000000110000000000000000000000001101010110011000101001101110101010100001011000111110101110110001101010001110111100111110,GXFKCZPANODAHX-UHFFFAOYSA-N
+O=[N](=O)C1=CC(=C(N=C1)NC3=CC2=C(OCCNC2)C=C3)C#N,5D4CFCE4771D0BA6_94BFAD35DAD95A65_6041_DP,9.080586,00000000000000000001000010000000000000100100000001000000110000010100001100000101101000100001001101101110110001010100001111101100111111010110001011111011110011110111110,OZKWIFLRSREVGF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=NC(=C2)NCC3=CC=C(O3)[N](=O)=O,FB2F46D0C2D53E2D_3D712D931DA3343E_6041_UN,9.080423,00000000000000000000000010000000000000100010000001000000110000010100001110000100001100010000101110101110010100100000010111101100001011110100001001101001110110110111110,QMLDJPMVKCGNRA-UHFFFAOYSA-N
+N3CCC(F)(F)C(COC1=CC2=C(C=C1)[NH]C=C2CC#N)C3,A522C9B88EEF56DA_854F1DAA1F6A8AAA_6035_DP,9.079293,00000000000000000000000000000000000000000110000000000000000000000100000000000000001100110011000011101100110101011100001011000111110100100110001101010011110111100111110,ATFUOSDWTCKVQJ-UHFFFAOYSA-N
+CC1COCCC1OCC2=CC(=C3C(=C2)OCO3)C4=C(C)[N](N=C4)C,1A50E3ED35F5F896_5089CE0C3840484D_6039_UN,9.078903,00000000000000000000000000001000000000000000000000001000010000100100000010010000100100100100011010100100010011000101101011111111110010000110111111111110110111111111110,LGJJKLKHFVEFNO-UHFFFAOYSA-N
+NCC2=CC1=C(C=CC(=C1)Br)N2C[C@@H]3C[C@H](OC)CN3,58F1122FFDA885B8_03903D0EE68255E9_6034_UN,9.077865,00000000000000000000000000000000000000000000001000000000000000000100000000010001001111010011010111001100110100010000100011100111110110100110001110001011110111101111110,CNMXWZQQDCEZHY-JSGCOSHPSA-N
+CC2(C)CN(CCOCC1=CN=CC(=C1)C(C)(C)C)CCS2,CA26FD608AB808FA_6ED121DF471D9FF4_6039_UN,9.077419,00000000000000000000000000000000000010000000000000000000000000000110000000110000010001101000000101101000000011011001101011100010110010000110011001011100010101101111110,VDFLWYUAUOTMPW-UHFFFAOYSA-N
+O([C@H]2[C@@H]1NCC[C@@H]1CC2)C3=N[N](C(=C3)N)C4=C(C=C(C=C4)F)F,CEBC6E162D270853_B761640BFD79350F_6035_UN,9.077413,00000000000000000000000000000000000000100010000000001000000000100100000000010101101110010011101111001100110100110100011011101111110111110100001110011011110011100111110,IFBNHSZBSQQGOU-LQBHMHGISA-N
+ClC1=CC2=C(C=C1)N(C(=CC2=O)C3CC3)CC4=CC(=C(C=C4)Cl)N,A0D382D9AA2D231D_F700645F2C65D19A_6034_UN,9.075842,00000000000000000000001000000000000000000000000000000000000000100100000000010000000011010001000001101101010100000100000001100101100001110100001111011011111110100111110,BYMCWLLBUMAPBN-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C(=CC2=O)C3CC3)CC4=CC(=C(C=C4)Br)N,E14733AF7E3530F2_A6A33BC9E8D66ECA_6034_UN,9.075839,00000000000000000000001000000000000000000000001000000000000000100100000000010000000011010001000001101101010100000100000001100101100001110100001111011011111110100111110,LSQHJZXLPZFCJY-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N3CCC4=CC=CC(=C34)C,E7ADAE068398EBC6_B3CF785520838707_6026_DP,9.075135,00000000000000000000000000000000110000000000000000010001001111001101000001010000110100001000011011001110011010011100011011101111001000011100001111111101110011111111110,SVWIRWOVJUINPR-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=NC(=CC=C3)CBr,FDBB56FE307CD551_A71B664E54AEE166_6031_UN,9.075034,00000000000000000001000000000000000000000000001000000000000000000100000000000000001000100000000100101100110001010000001011010110110000100110001011010001011111110111110,CLTBEVMHVOXYMN-UHFFFAOYSA-N
+OC(=O)C1=C[NH]C(=C1)NC3=CC2=C(CCCN2C)C=C3,7B75C45841A36354_168FBD6F9127BCEF_6041_UN,9.07499,00000000000000000000000000000000000000100001000000000100000000000100000000010100100101100000010011101100010010010001101011110100100101010101001011011001011011111111110,GNXUPQVCMIWZHG-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NC3=C(C)C=C(C=C3)SC#N,90A561E04395404D_B5648FCDEF2093EF_6026_UN,9.073711,00000000000000000000000000000000110000000100000100010001001111001101010001010000010101001000011010000110011000001000010001101100001001011100001011001111000010111111110,VAMMQUQDYQXQSJ-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)NC4=C(OC)C=CC=C4[N](=O)=O,4F984EE444607218_D4ACA16C872582C6_6041_UN,9.072452,00000000000000000000000010000000000000000000000001000000100000010000001100010001000101000000111111000110010000100100010101101111001001011100101111101111101011111111110,WRWXQAZENTZVDL-UHFFFAOYSA-N
+ClC1=CC4=C(C=C1)[N](CC=CC2=NOC3CNCC23)C=C4,974315264E740A94_E6A1CAB5624240F5_7019_DP,9.071131,00000000000000000000000010000000000000000000000000000000010000000100000100010010101101110001001111011111010100000000000111101100010010100110001000001001110111100111110,UKTPPWOCLIVMHM-UHFFFAOYSA-N
+N3C[C@@H](NC(=O)C2=CC1=C(C(=CC(=C1)F)F)[NH]2)[C@@H](F)C3,382D1FFBC3AD0B67_0E0344859143E0DA_6038_DP,9.070677,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100110011100110001100110100110000010011000100010101100110001000000011011010100111110,PYALUQXYHMVOLP-GXSJLCMTSA-N
+N3CCC[C@@H](CNC(=O)C2=CC1=C(C(=C(C=C1)Cl)F)[NH]2)C3,95D64B032CAB261C_82274F5C0A0F93AD_6038_DP,9.070286,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100110011100110101101110100110000011011000100110100100110001011010011011110100111110,YHYNQKMGJAEAMT-SECBINFHSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCC4=C3C=CC=CC3=CC(=C4)F,CE6E6CF18DF499C2_2E058F743A06BACA_6026_UN,9.070285,00000000000000000000000000000000110000000010000000010001001111001101010001010000011101011000011010001110011100001000010001101100001000101100001001001001010110111111110,QSPPKFLMAWGNGU-UHFFFAOYSA-N
+N3CCC[C@@H](CNC(=O)C2=CC1=C(C(=C(C=C1)Br)F)[NH]2)C3,D65D8BC9CAD4F71F_1918F0E4DE4F793A_6038_DP,9.070267,00000000000000000000000000000000000000000010001000000110000000000100000000000001101100110011100110101100110100110000011011000100110100100110001011010011011110100111110,RCAOJKBPWDRXRV-SECBINFHSA-N
+C2(=C1N=C([NH]C1=CC=C2)CC#N)NC4=C(C=C3CCOC3=C4)[N](=O)=O,893E7112B089E18E_D2AF99A380F1B4A8_6041_UN,9.070107,00000000000000000000000010000000000000100100000001000100110000010100001100000101100100000000001011000110110001010100001111101100001111010100001011111011110111110111110,WLEKWFAKOGNPFK-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3=CC4=C(C=C3)[NH]N=C4,75D58AB932313818_80ABC20ED4AFA158_6039_UN,9.069598,00000000000000000000000010000000000000000000000001001000100000010100011100000000100100000100001110000110010001000100000111101111001101010100001111101011110111110111110,IXKDNIRQFQJFBU-UHFFFAOYSA-N
+N2CCC(OCCSC1=C(C=C(F)C=C1)F)(CN=[N]#N)CC2,4AD53C1C7C4F0A91_C43E52E85CADA837_6039_DP,9.068339,00000000000000000000000000000000000000000010000001001000000100001010001000000100011000111001001101101000100101011000001101001011111010100110001111010011110101100111110,KINVUUHSXNKVIO-UHFFFAOYSA-N
+O(C[C@H]1NC[C@H](C1)Cl)C2=CC=C(C=C2)C3=CCNCC3,E8BCF1A87BFC836E_1683A1D186C21EFD_6035_UN,9.068139,00000000000000000000000000000000000000000000000000100000000000100000000000001000001100110011000110111001100101010100001011000011110100100110001101010001110111100111110,FRGOJGHUSVYQHJ-GJZGRUSLSA-N
+O(C[C@H]1NC[C@H](C1)F)C2=CC=C(C=C2)C3=CCNCC3,FE7A8750BE65ADC5_FC801BAB4A8801C9_6035_UN,9.068133,00000000000000000000000000000000000000000010000000100000000000100000000000001000001100110011000110111000100101010100001011000011110100100110001101010001110111100111110,RGYKHCRQKUTFHQ-GJZGRUSLSA-N
+N(CC2=C1C=C[NH]C1=CC=C2)C(=O)C4=CN=C3SCCN3C4=O,7753B2CF6BBC49A8_501D17FB89AA06F6_6038_UN,9.068029,00000000000000000000000000000000000010000000000100000000000100000100000000000100111101001101100011101100011000110100011011100101000100001110001111011011011110110111110,QNKZHLMZIGQSKC-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)F)[C@H](C)OCCC2(CCNCC2)C#N,921B76907BE92AF2_DF5BEFE94890158C_6039_DP,9.067863,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000110101010000101000100111011100101001000011110010100110001111010111110101111111110,FKRXXDMNFKWCAS-ZDUSSCGKSA-N
+FC1=C(C=C(C(=C1)NCC2(CCNC2)C(C)(C)C)C#N)F,81DE122A99C5D1E4_F638211A8C48C6DA_6041_DP,9.067377,00000000000000000000000000000000000000000110000000000100000000000010000000100000101100110011000010001000100110011000101001000000110101110110011010010111010110101111010,CTQMBXYCODCHBR-UHFFFAOYSA-N
+N2CC(CSCCOCC1=C(OC)C=C(C=C1)C#N)C2,F568C1179EB9623A_B82F6F15FFFF6B4C_6039_DP,9.067354,00000000100100000000000000000000000000000100000000000000000000000000000000000000001000101110010000001000000011000100001001000011110010000110001110010011110101111111110,YABBJTNHMSFFNJ-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)[NH]C=C2)C(=O)C4=C(C=C3OCCOC3=C4)[N](=O)=O,FCA10578B21CA2FD_E5FCEBAD3169D6BA_6038_UN,9.066015,00000000000000000000000010000000000000000000000001000000110000010100001110000000100100000000101011100110010001100100011111101100001111011110101011111011111011110111110,VITMGSLLIVVYJQ-UHFFFAOYSA-N
+OB(O)C1=C(SC=C1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,0CCFD4F97E1890F9_6611A0372AF95D0E_6041_UN,9.065866,00000000000000000010000000000000000010000011100100000100000000100000010000110000110101111000010011101010000110010000101011101100111101110111001011011111010010111111110,GLQQVHZZFIZINN-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C=C[NH]2)C(C4=CC3=C(OCCN3C)C=C4)=O,2B6C947B5268C079_5C5DF72E56AA4C9A_6038_UN,9.065376,00000000000000000000000000000000000000000000000000000000010000000100000000010000000101100000010111101100010001010101101011110111000010010110001111111001111011111111110,JHUMHXISBZGHAP-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC(=C(C=C2Br)Br)N)C#N)CC3,76332C5BBA242A60_511B08C20EB74D19_6035_DP,9.065278,00000000000000000000001000000000000000000100001000000000000000000010000000000000001010110001000001101000110101011100001001000011110101110110001111010011110111100111110,CPDSQEMCOQHHMJ-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC(=C(C=C2F)F)N)C#N)CC3,D0AAB6A7EF06C8C2_2BB10F6FAC574455_6035_DP,9.065275,00000000000000000000001000000000000000000110000000000000000000000010000000000000001010110001000001101000110101011100001001000011110101110110001111010011110111100111110,JALTWEGBSSMHBF-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC(=C(C=C2Cl)Cl)N)C#N)CC3,2A595199BED51C84_A5834120D9DBAD37_6035_DP,9.065264,00000000000000000000001000000000000000000100000000000000000000000010000000000000001010110001000001101001110101011100001001000011110101110110001111010011110111100111110,AJZMDZCDCQEVLF-UHFFFAOYSA-N
+N1CCCC14CCC(NC(=O)C3=CC2=C(C=C(C(=C2)Cl)Cl)[NH]3)CC4,4BAEB8F4E11E85C9_C16EEAF9B75D85D9_6038_DP,9.065235,00000000000000000000000000000000000000000000000000000010000000000110000000000001001100010011100110001101110100111000011011000100110101100100001011010011011010100111110,ANXYSVKXIZAYMP-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)C[C@@H]3CCCN[C@@H]3C(F)(F)F)CC#N)F,53C6D9ACDE025A94_0919B02BA54965E9_6034_UN,9.065192,00000000000000000000000000000000000000000110000000000000000000000100000000010000101101010011000010101100111100011000001011100100110000100110001011011011010110100111010,BTMYMBVLQSLXMO-ZBEGNZNMSA-N
+N1C4(CC(C1)CNC(=O)C3=CC2=C(C=C(C=C2F)F)[NH]3)CCC4,EE5C811A64223A93_5D5F70864049DA59_6038_DP,9.065016,00000000000100000000000000000000000000000010000000000110000000000110000000000001101100010011100110001100110100111000011011000100110100100110001000010001011110100111110,JRZCNEFIXLITDU-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)[NH]C=C2)NCC3C4=C([S](CC3)(=O)=O)C=CC=C4,61E01EFA713E1650_A670E2A8B68CFBF7_6041_UN,9.064739,00000000000000000000000000000000000010000000000000010101001111000101000001000000111100001011010110101110010000001100001011001111011111011110001111111011110111111111110,WVALDGWYXUDHCC-UHFFFAOYSA-N
+O(CCN1CCC(F)(F)C1)CC#CC2=CC=CC(=C2)OCCOC,F635E12123435AFC_D049F7D278DC55E7_6039_UN,9.063913,00000000000000000100000000000000000000000010000000000000000000000000000010010000000101110000010110001000000101011101101001100011110010100110000100111000110101111111110,QGMANTKGYBTGGB-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)SCCC2)[S](C4=CN=C(C3(CNC3)C#N)C=C4)(=O)=O,D390FD529FD7000B_D19D21CB82389E89_6029_DP,9.063881,00000000100100000000000000000000110010000100000000010001001111101111010001000000111000101011001001101110011000001000011011001100101101011110001011011001010010110111110,BXVKKYIJRZMFDG-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)[S](=O)(=O)NC2=CC(=NC=C2)N(C)C)C)Br,59B5E08DD6F6E6CC_6D5A1015168C63D0_6026_UN,9.063025,00000000000000000000000000000000110000100000001000010001001111001101010001100100110001111000011000100010001100001000010001101100001001111100011011001111000010111111110,ZZQYXKOLTQKZFP-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)[S](=O)(=O)NC2=CC(=NC=C2)N(C)C)C)F,E128B61BD0C02277_5F0AEA95CD70C9D3_6026_UN,9.063025,00000000000000000000000000000000110000100010000000010001001111001101010001100100110001111000011000100010001100001000010001101100001001111100011011001111000010111111110,DGIIEHPVGHTDAC-UHFFFAOYSA-N
+CC1(CC2(C1)CNC2)OC4=CC=C([C@@H]3[C@H](C)CCNC3)C=C4,E2BF58304C5EE3E9_7C98C5A19AE37D91_6035_UN,9.06287,00000000100100000000000000000000000000000000000000000000000000100010000000000000001000100011000000101000110010011101101011000011110110000110001101010111110001101111110,CBPFKAJZMQWOOI-PBHICJAKSA-N
+COC1=C(C2=C(C=C1)N(C=C2)CC[N]4N=C(C3=CC=C(CCC)C=C3)C=C4N)Br,D94D5F30DD60C49C_DE331DB875DA2DA2_6034_UN,9.062445,00000000000000000000000000000000000000100000001000001000000000100100000000010101100111010011011010001100010100010111001011101111000001110110001111011111110111101111110,STLWONNFNIFSHN-UHFFFAOYSA-N
+NC1=CC3=C(C=C1)C(OC2=C(C=C(C=N2)[N](=O)=O)C#N)CCC3,A53286017FD8E087_90E20E7A021F57FF_6035_UN,9.061819,00000000000000000000000010000000000000000100000001000000100000010100001100000001100010000001101001100110010000100100011101101111101011010100001111111011100011110111110,IWRTUYVGMYPCAM-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)C)NC2=C(COC)C=C(C=C2)[N](=O)=O,4EEC168D21085F65_993E14CF7E4F4A74_6041_UN,9.061464,00000000000000000000000010000000000000000000000001000000100000010000001100000000000000100010011001000010000001000001000100101110001001010000011011101111010111111111110,YFKFXGLXGVCWOK-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NC4=CC3=C(CNC3)C=C4,E8D4C32F712E44B8_5136E0D4CB77CD90_6041_DP,9.061028,00000000000000000000000000000000000000000100000000000000010000000000000000010001101101100001000110101100010001010000001011100100110111010110001011011011010011100111110,CSOVZOMFJQGJAD-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=CC(=CC(=C2)C(F)(F)F)N,BB55780AD222007A_260AD68173AE1EDB_6035_UN,9.06014,00000000000000000000000000000000000000000010000000000000000000000000000000010000000111100000000111001000001100011100001001100011110011110110001100011001110111100111110,YZIHGHOYIQQISX-JTQLQIEISA-N
+C2(=C1C(=C[NH]C1=CC=C2)CC#N)NC3=C(C)C=C(C=C3F)[N](=O)=O,A75642A94E73558D_2CB3E68D94A41F36_6041_UN,9.058724,00000000000000000000000010000000000000000110000001000100100000010100001100000000100100010011001010000110010100010000000101101100001101110100001011001011000110111111110,KKABYOPQFNWEHP-UHFFFAOYSA-N
+S(CCC1=C[NH]C2=C1C=CC=C2)C(=O)C3=CC4=C(C=C3)COC4,E45B7B28BAA239F6_DE927259BFFAFA34_6038_UN,9.057629,00000000000000000000000000000000000000000000000000000000010000000100000000000000010100101011000010000100010001000000001011000100010000000110000011010001011111010111110,SNTCLAUMNJAIGH-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=C(C(N)=N)C=C(C=C3)Cl,7D7FE7EDD2334661_5C8278CDF3BC2BAB_6035_UN,9.057149,00000000000000000000000000000000000000100011000000000000000000100010000000000110001110110011000111001001100100011100001101000111010110100110001111010011110011100111110,DXCRKBIXNPYWQY-UHFFFAOYSA-N
+N2CCC(F)(F)C(COCCSC1=CC(=C(C)C=C1)C)C2,92F2A3688FF1FC30_531B8BB7651F2C5D_6039_DP,9.057066,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000111011000001101000100101011000001001000010110010100110000011010111010101101111110,ANUCLPRJYKUJGH-UHFFFAOYSA-N
+CC(C)O[C@@H]1COC[C@H]1OC2=CC(=CC=C2)C3=CCCNC3,C915921EE68D2312_E3900768E30E64B1_6035_UN,9.0568495,00000000000000000000000000000000000000000000000000100000010000100000000010101000001100100101000010111000100011010100001011000011110010000110000101110111110001111111110,JXZRTSBKSPNTNR-QZTJIDSGSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC[N]5C4=C(C=C(N)C=C4)C=C5,3C165CD6690F48C3_8BC2FB25814A97B8_6034_UN,9.056736,00000000000000000001000000000000000000000010000000000000000000000100000000010001101111110011000010001100110100010000001011100100110101110110001011011001010110100111010,VENWIUSTPJQRLS-UHFFFAOYSA-N
+N2CC(OC1=C(N)N=CC=C1Br)(C2)C3=CC=C(C=C3)Br,0301C73E385E76C5_F263DF269F164618_6035_DP,9.056559,00000000100100000000000000000000000000100000001000000000000000100110000000000100001010110010000100101000000100001100000011000111000111110110001111000011110011100111110,CZJAPFMEIWQORG-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)[S](=O)(=O)NC2=C(C=C(CCC)C=C2)I)C#N,CF36715D3BAAE69B_DA8953B87F010CC6_6026_UN,9.056494,00000000000000000000000000010000110000000100000000010001001111001001010001000000010000011000001000000010001100001011011000001100001001111000001011011111000110111111110,SORYEANAKZMUGE-UHFFFAOYSA-N
+FC2=C1C(=NC=NC1=CC=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,082169D4CF9595F9_E2A089F02F0D711D_6041_UN,9.056398,00000000000000000000100000000010000000100010000000000000000000000100000000100100100000110000010000100110010101001000100011001110000001110100011001001101010111101111110,WSXFIQRKFQMVFC-UHFFFAOYSA-N
+N2CC(OC1=C(OC)C=C(C=C1CC=C)C)(CC#N)C2,4E01482C3CD79458_2EBD7F1110EAE201_6035_DP,9.056188,00000000100100000000000000000000001000000100000000000000000000000010000010000000001000100010010101011000000010011100000001000011100010000110001110000111110101111111110,MPWQIGVGOFAICE-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=C(C(C)C)C=CC(=C1)C)[C@@H]3CCN[C@H]23,5F25006B043ECAA5_2C6D738917325D78_6035_UN,9.056112,00000000000100000001000000000000000000000000000000000000000000000010000000100000001100000011000011001000110010011100001001000011000000000100010110010111110011101111110,PAQCZUZUORRTRO-PVAVHDDUSA-N
+CC(C)OC1=CC=C(C=C1)[C@H](C)OCC2CNC3(CO2)CCC3,DFDAF84226C8ADC7_C47C49EC2C337D50_6039_DP,9.055922,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000000011000101101000110001011100101011000011110010000110010101110101110111111111110,OBVKDLPEAPNWPU-BUSXIPJBSA-N
+O(C(=O)C1=C(C=NC(=C1)NC2CC2)Cl)C[C@@H]3CC[C@@H](N3)C(F)(F)F,67096431C8CF1580_4A126B1353C437B9_6031_UN,9.055776,00000000000000000000001000000000000000100010000000000000000000000100000000000100000100010010000110100001101101011000001011010010110101110100001010010011011111110111110,IZUXOBVZVUYEJW-JOYOIKCWSA-N
+COC(=O)C1=CC2=C(C=C1)[N](C=N2)CC3=CC4=C(C=C3)CNCC4,F5FB253DDA2163E7_A1C4C372F17AC0B1_6034_DP,9.055588,00000000000000000000000000000000000000000000000000000000000000000100000000010101001101100001010010101100110000010000001011110110110000000110001011011001011111111111110,UMROKUYAAXVNNQ-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)C#N)NC2=CC(=C(OC)C=C2)[S](=O)(=O)N(C)C,657A1884123A9090_4F10674D79764140_6041_UN,9.05521,00000000000000000000000000000000110000000100000000010001001111001001000001100000110000101100011001000010001000001100010000101111001001011000011111101111100011111111110,BOLSXHOKTJJDEZ-UHFFFAOYSA-N
+C[C@@H]1NCC[C@@H]1N(C)CCOC2=C(C=C(C(C)(C)C)C=C2)I,F95CBDD84CD8D610_E5FB04115D52F1B0_6035_UN,9.054954,00000000000000000000000000010000000000000000000000000000000000000010000000100001101101110011010110001000100111011101101001100011110011100110011110011111110111101111110,DMOFYZMRYKEXBT-BBRMVZONSA-N
+C[C@@H]1NCC[C@@H]1N(C)CCOC2=C(C=C(C(C)(C)C)C=C2)Br,0A6B2EA10B1A5635_463E75411D48CDA9_6035_UN,9.05494,00000000000000000000000000000000000000000000001000000000000000000010000000100001101101110011010110001000100111011101101001100011110011100110011110011111110111101111110,CXHAMFSEIPMTKB-BBRMVZONSA-N
+CC2=C1N(C=C(C1=CC=C2)CC#N)CC3(NCC(OC)C3)C,A7369E2CEE60F5FD_C4369AB8CC3FDC65_6034_UN,9.054705,00000000000000000000000000000000000000000100000000000000000000000110000000010001001101000011010111001100110010011001100011100111110010000110011100001101110111101111110,FKFTZLKDWQUHDP-UHFFFAOYSA-N
+N3C[C@@H](OC1=C(N)C=C(C(=C1)F)C(F)(F)F)[C@H](CC2=CC=CC=C2)C3,BFED1DB62CC93B2C_9BB6EDBB711F0B4B_6035_DP,9.054532,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110110011000111001000001100001100000001000111110111110110001111000011110111100111110,WOLPEVSPDTZRCK-SJKOYZFVSA-N
+N3C[C@@H](OC1=C(N)C=C(C(=C1)Cl)C(F)(F)F)[C@H](CC2=CC=CC=C2)C3,195428EAFEBB9FF1_628BBB7E5B276377_6035_DP,9.054529,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110110011000111001001001100001100000001000111110111110110001111000011110111100111110,BRZQUYOSUYKOIC-SJKOYZFVSA-N
+CC4(C)CNC(COC1=CC2=C(C=C1)CNCC23CC3)C4,9BEF0A7EC6B7F9B4_41F007F78AE0D244_6035_UN,9.054304,00000000000000000000001000000000000000000000000000000000000000000010000000100000001100100011000110101100110011011101000011000011110100000110001111010101110111101111110,KKHHDPSQFJXWPQ-UHFFFAOYSA-N
+NC2=CC1=C(C=CC=C1)C(=O)N2CC3CCNCC3(F)F,E9E5CD85B191BE85_484B12D2ECB15467_6034_DP,9.053876,00000000000000000000000000000000000000100010000000000000000000000100000000010100001011110011100001101100110100111100011011100101110101110110001111011011011110100111110,RDQYKOOZNQLDID-UHFFFAOYSA-N
+CC1=C(C2=C(N1CCCCC(F)(F)F)C=CC=C2)C3=CCNCC3,9B0ABB0912EF6B6D_125E2E05306F9A2B_6034_UN,9.053759,00000000000000000000000000000000000000000010000000100000000000100100000000011000001101100001000010111100111110011000101011100100110000100110001011011011010110101111010,BXHZVJWZORWYTH-UHFFFAOYSA-N
+N3C[C@@H](OC2=CC1=C(C=C(C)C=C1)C=C2)[C@H](CC#N)C3,8AA5E6A7C0231A36_AA2FC588A7BB6237_6035_DP,9.052803,00000000000000000000000000000000000000000100000000000000000000000000000000000000001100100011000111001100010000010100000001000111110010000110001101000011110101101111110,IPWWBJLIGKJPFX-NVXWUHKLSA-N
+C1(=CC(=NC=C1)Cl)N[C@H]2[C@@H](C2)C3=CC4=C(C=C3)OCCO4,7D1AC5B09A50D322_8D61095892A716DA_7022_UN,9.052499,00000000000000000000001000000000000000000000000000000000010000100100000010000000100000010010000000100101110101010100001011000100000011110110001011010011110011110111110,NHRHBAZSRPKQIZ-QWHCGFSZSA-N
+O=[N](=O)C1=CC2=C(C=C1)[NH]C=C2NC3C4=C(OCCC3)C=C(C=C4)F,FD0771E12D6DA367_3D1FB33EE92E6D81_6041_UN,9.052178,00000000000000000001000010000000000000000010000001000110110000010100001100000001100100010011001011000110110101010100001111101100001111110100001011111001110011110111110,NKFAKNMZDTXFFN-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCOC3CNC3)CC#N,05C2081281933938_BBE2373118CF3FD7_6034_UN,9.052015,00000000100100000000000000000000000000000100000000000000000000000100000000010000001101100011000110001100010001010000001011100111110010000110001100011001110111101111110,MLXQXSXPNKPDTA-UHFFFAOYSA-N
+C1(=C(N=CN=C1)OC2=CC3=C(C=C2)OCO3)NCC4=CC=C(CN(C)C)O4,016A89CCBB9A195F_07555FA21A22F937_6041_UN,9.051862,00000000000000000000000000001000000000000000000000000000010000000100000010100101101101100100110111101100010001100101010011110111100011010110101111101111110111111111110,QMXAGSZPBXPGLX-UHFFFAOYSA-N
+COCCOC3CNCC(COC1=CC2=C(C=C1)OCC2)C3,15B55621A12B8A23_EE47D433A260EDA6_6035_UN,9.051036,00000000000000000000000000000000000000000000000000000000010000000000000010000000001100100011010111101100010001000101101011000011110010000110100111110001110101111111110,AXURJUMACFEULK-UHFFFAOYSA-N
+CC1=NC2=C(C=C1)C=CC(=C2F)N[C@H]3[C@H](CCNC3)C4=CC(=C(C=C4)F)F,C8F0A032AF4798AA_057498329F31158D_6041_DP,9.049994,00000000000000000000000000000000000000000010000000000010000000100100000000000001101000110011000000101100110100010000001011000100110101110110001011010011010010101111010,RCXUBWPQOYXUNB-DNVCBOLYSA-N
+FC(F)C2=NC1=C(C=CC=C1Cl)N2C[C@H]3NCC[C@@H](C(C)(C)C)C3,DABA08BF8885C53A_59CAB676E745D3CE_6034_UN,9.049572,00000000000000000000000000000000000000100010000000000000000000000110000000110101001101010001000010101101110110011000101011100100110000100110011011011111010110101111010,SWYZOXMILIOOGO-NEPJUHHUSA-N
+ClC1=CC(=O)N(C2=C1C=CC=N2)CC3=C(C=CC=C3)C4CCNCC4,FE9429B1D2248D0F_E6A7D3662CB8FA50_6034_UN,9.049248,00000000000000000000000000000000000000100000000000000000000000100100000000010100001001110001100001101101110100110100011011100101110000100110001111011011011110100111110,OJAMGHSJEUNTMW-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3C4=C(N(C)CCC3)C=CC=C4,7E19BEEA1F46C4CB_28775DE417C91AFF_6041_UN,9.049057,00000000000000000001000010000000000000000000000001001100100000010100011100010000100101100011011010001110110010010001101111101100001101010100001011011001010010111111110,KLGVHYWSCRNFSR-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2)C3(CNC3)CCCC4,3A63371078B85914_2248C6D30611AD63_7017_UN,9.048341,00000000100100000000000000000000110000000000000000010001001111001011000001010001011000111011001000101111011100011000011011101100111000101110001001011001010010110111110,VLWQNFQPVFHBDU-UHFFFAOYSA-N
+O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(C(C)C)C=CC(=C3)Br,0D24A3998FCBCF48_BF66C62E39931D5E_6035_UN,9.04811,00000000000000000000000000000000000000000000001000000000010000100000000000100000001100110011000011101000000101000100001011000011110010100110000111010111110101111111110,OSZNBVYJQHDDIJ-YJBOKZPZSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NC4=C(OC3=CC=C(OC)C=C3)N=CC=C4,31C8215A53E2254E_C247B19AB18E3A9B_6026_UN,9.047553,00000000000000000000000000000000110000000000000000010001001111001101010001100001010001101000111100100110011000101100010001101111001001011100111111101111100011111111110,WRUUZEBFAYXLOI-UHFFFAOYSA-N
+COCCOC1=CC2=C(C=C1)N(C=C2)CC3=C(OCC)C=CC(=C3)N,CDDEAB9190F4038D_537C58D5680E3D06_6034_UN,9.047383,00000000000000000000000000000000000000000000000000000000000000000100000010010000000111100001010011001100010001000111101001100111100011010110001111111111110111111111110,OODJJYNFQMCKIF-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=C(C=C(C)C=C3Br)CC=C,9A93EA9A9C0C8C25_A7C3E57558D0EB49_6035_UN,9.0473385,00000000000000000000000000000000001000000000001000000000000000100010000000000000001100110011000111011000100110011100001001000111010010100110000111010111110101101111110,ORJSFILPUYGLCR-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C3=C2CCNC3)CC4=C(C=C(C(=C4)F)[N](=O)=O)Br,CB9B33B053875A66_D9A568DE40B4C7B6_6034_UN,9.047054,00000000000000000000000010000000000000000010001001000000100000010100001100010001001101110001011010101110110100010100001111101111111001110110001111111011110111111111110,OZTCBGKGMFIDSD-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NC3=CC(=C(CC)C=C3)[N](=O)=O,4530210F65F86D63_2E91A8FDCED41861_6041_UN,9.046358,00000000000000000000000010000000000000100100000001000000100000010100001100000100100000000000001000100110010000000010000101101100001001010100001011001011000110111111110,XNGDUQSGQKCTNM-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)N(C(=O)C=C2Cl)CC3=C(C=C(CN)C=C3)F,F5C0415F1A024B51_64F1F23DF6ED2456_6034_UN,9.045495,00000000000000000000000010000000000000000010000001000000100000010100001100010000001011010000101000101111010100100100010101101101001001111110001111101011011110110111110,WKXYYLARVLVJIU-UHFFFAOYSA-N
+COCCC1=CC=C(C=C1)NC2=C(OC)C=C(C(=C2)Br)C,DC29B1E09E063CAC_1A679BC90D8BB12C_7022_UN,9.045494,00000000000000000000000000000000000000000000001000000000000000000000000000000000000000110000010100000000000101000101101000000111000011110000010111010111110111111111110,WVGZSBYWHSFINC-UHFFFAOYSA-N
+N2CCC(C=CC1=CC(=C(OC)C(=C1)C)C)(CC2)C#N,A3AB3AF31B538D10_FC3F614C703BFBC3_7019_DP,9.045412,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100001010000111000100000011100001001000011110000000110011111010111110001101111110,VEOABQGSTSHCFA-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C(=CC(=C2)F)F)CC3(N)CCOC3,958A0B23DDAC4833_D9929B363FFC494E_6034_UN,9.045275,00000000000000000000000000000000000000000010000000000000010000000110000000010001001111110011000111001100110101011000001011100100110111100110001000011001010111100111110,ODPBZYLLQLQVOC-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C(=CC(=C2)Cl)Cl)CC3(N)CCOC3,00014A74A3D40DB1_DC5680D066CB97EA_6034_UN,9.045269,00000000000000000000000000000000000000000000000000000000010000000110000000010001001111110011000111001101110101011000001011100100110111100110001000011001010111100111110,DBTQQUHAWNYUKY-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)OCCNC2)CC3(CCNCC3)F,8ACD85591EB0CD47_8EBEC8AE961A21F2_6031_UN,9.045142,00000000000000000001000000000000000000000010000000000000010000000010000000000000001000110001000101101100110101011100001011010010110110100110001011110001111101110111110,ZELRHZRCFAYATC-UHFFFAOYSA-N
+OB(O)C1=CC(=C(C=C1)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F)F,5948ECB37CEA0246_B84C1446C21D21F6_6041_UN,9.044661,00000000000000000010000000000000000000000011100000000000000000100000010000110000100001110000010000101010000110010000101001101100111101110111001011011111010010111111110,LXEQLKRYFFRWQX-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)C=C[N]2CCC(C)C3CCNCC3,6D43A975A3F83CDC_4197423CBE8A0958_6034_DP,9.044324,00000000000000000000000000000000000000000100000000000000000000000100000000010000001101100001000010101100110010010001101011100100110000000110001001011001010110101111010,SQRIIZPSIVASBO-UHFFFAOYSA-N
+BrC2=C1C(=CN(C1=CC=C2)CC3CNCCC3(F)F)CC#N,A20D151B0DEE9118_F2676F111EBB1022_6034_UN,9.043517,00000000000000000000000000000000000000000110001000000000000000000100000000010000101101110011000010101100110100011000001011100100110000100110001001011011010110100111010,RUDBMWGZNDVLAB-UHFFFAOYSA-N
+ClC2=C1C(=CN(C1=CC=C2)CC3CNCCC3(F)F)CC#N,D1D655F581C49529_DBEF3B77402D74FE_6034_UN,9.043515,00000000000000000000000000000000000000000110000000000000000000000100000000010000101101110011000010101101110100011000001011100100110000100110001001011011010110100111010,QFFHKUGFPCCSHR-UHFFFAOYSA-N
+O(C1COC2=C1C=CC(=C2)Cl)C4=CC=C3C(NC=C([S](Cl)(=O)=O)C3=C4)=O,6C33EB0987DFC352_45E0757627CA4072_6003_UN,9.043495,00000000000000000000000000000001000000000000000000010001011111001101000011000000010100011100100011100111011101101100010011001111001010101100100111101001111011010111110,NFVXYNJKCWVCNL-UHFFFAOYSA-N
+ClC2=C1N(C=CC(C1=CC(=C2)Br)=O)CC3CNCC34CNC4,3DD598A113187CD9_0F9BFD6B469939A3_6034_DP,9.042944,00000000100100000000000000000000000000000000001000000100000000000110000000010000101101110011000011101101010100001100000011100101110100100110001101001001111110100111110,PQGSTKPJIGUHNJ-UHFFFAOYSA-N
+FC2=C1N(C=CC(C1=CC(=C2)Br)=O)CC3CNCC34CNC4,80993B5571538581_DCFDDC7007AFC8DA_6034_DP,9.042935,00000000100100000000000000000000000000000010001000000100000000000110000000010000101101110011000011101100010100001100000011100101110100100110001101001001111110100111110,OLZNNERQBDXGRS-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)[S](=O)(=O)NC2=CC(=C(CN(C)C)C=C2)C)C#N,6EBEBCB9886C66F8_8B2298F0A2ECDB73_6026_UN,9.042321,00000000000000000000000000000000110000000100000000010001001111001001010001100000010001101000011000001010001000001001110000101100001001011000011011001111010110111111110,SAEKHSREUPWGFS-UHFFFAOYSA-N
+C[N]1C=CC(=C1C#N)NC(C2=CC(=C(OCC)C=C2)OC)C,9D0CAEE6EA9617C9_F939F82410F7F987_6041_UN,9.041468,00000000000000000000000000000000000000000100000000000000000000000100000010010001100101000000010010000000000001000110000001100111000001010100011110001111110111111111110,LFGGJVRBFKUXFF-UHFFFAOYSA-N
+COCC1=NC(=CC=C1)NCCC2=C(C=C(C)C=C2C)C,B11528A67664F0E7_A04544F2E2B6FE12_6041_UN,9.041155,00000000000000000000000000000000000000100000000000000000000000000100000000000100001000100001010100101000100011010001101001000110000001010110011011010111010111101111110,CCYRRMFTTLOMGO-UHFFFAOYSA-N
+COCCOC1=C(C=C(C=C1)NC2=CC(=C(C=C2)F)C3CC3)C#N,CC9E6B98B4436FCA_D4835A384BA247ED_6041_UN,9.040928,00000000000000000000001000000000000000000110000000000000000000100000000010000000000000110000010001000000000101000101101000000111000011110010001111010011110111111111110,WFCNIRSLOAOEAI-UHFFFAOYSA-N
+OB(O)C1=C(C=C(C=C1F)F)NC3=CC(=C(N2CCC(N(C)C)CC2)C=C3)F,58347A782926BA4C_ECDC9E83C5C12DA4_6041_UN,9.04077,00000000000000000010000000000000000000000011100000000100000000100000010000110000100001110000010001101010000110010000101001101100111101110111001011011111010010111111110,KRJVOIFVCHIKSC-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN(C2=O)CCC3(CNC3)CN)Br,FCC36D491E8BD1E5_D457DAC0B2E46516_6034_DP,9.040676,00000000100100000000000000000000000000000010001000000100000000000110000000010000101011110011100000101100010100111100011011100101110100100110001111011011011110100111110,OAVMQJMVUFFYHW-UHFFFAOYSA-N
+C1(=CC=C(C=C1)F)NC2=CC4=C(C=C2)N=C3CCCN3C4=O,33C13B0753EB4A38_74AAF0B6EFBCD732_7022_UN,9.0406,00000000000000000000000000000000000000100010000000000000000000000100000000000100100101010000100011101100010100110100011011100101010001110100001111011001011010100111110,YFZUKCBRIHWDSD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)Br)NC2=CC4=C(C=C2)N=C3CCCN3C4=O,407E724AA582CE98_BF6FD00A4819939C_7022_UN,9.040596,00000000000000000000000000000000000000100000001000000000000000000100000000000100100101010000100011101100010100110100011011100101010001110100001111011001011010100111110,DCPVJALOKTUNPA-UHFFFAOYSA-N
+C1(=CC=C(C=C1)Cl)NC2=CC4=C(C=C2)N=C3CCCN3C4=O,4D853C5793A39DB8_2FF65010BE0FFE46_7022_UN,9.040591,00000000000000000000000000000000000000100000000000000000000000000100000000000100100101010000100011101101010100110100011011100101010001110100001111011001011010100111110,CMNILOUBVVULTA-UHFFFAOYSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)NCC2=CC=C(CSC)C=C2,1BC6908F88E0EF7C_7BD0DB00E0F6B616_6041_UN,9.040034,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000101000011100101010000010000001000101101100001001010110001011001111010110111111110,SGKXVCASZDTUKU-UHFFFAOYSA-N
+N2CC[C@@H](N)[C@H](OC1=C(C(=CC=C1)OC(F)(F)F)Br)C2,34EAEDB9DDF8E94B_F6923DCAD6276D11_6035_DP,9.039442,00000000000000000000000000000000000000000010001000000100000000000000000000000000101010110111000100101000101100011100001001000011110111100110001111010011110011110111110,LOXFQPVRDUSGJB-GMSGAONNSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCOC4CC4,539E6D325ABDAD97_D85FE68CC4C2B2EE_6034_UN,9.039355,00000000000000000001001000000000000000000010000000000000000000000100000000010000101101110011000110001100110101010000001011100111110010100110001110011001110111100111110,SDRGEWBXCIWBHN-UHFFFAOYSA-N
+OC(=O)C2=C1N=C(C=CC1=CC=C2)NC3=C(C4=C(C=C3)CNCC4)F,065550485018E0A0_75AF31F5F09CA040_6041_DP,9.039134,00000000000000000000000000000000000000100010000000000000000000000100000000000100001000110001000001101100110100010000001011010100110101110111001011010011011011110111110,NKQCREYEEIWZPR-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C2=NN=C(O2)NC3=CC=C(CO[Si](C)(C)C)C=C3,7A93637548A2BAF4_40EBD9F3B0B3DB9A_6041_UN,9.038828,00000000000000000000100000000010000001000010000000001000010000100100000000100101100100110000111110000010001101101000110011001110001001110100011001001101010111111111110,WTYVZHPXPIFALC-UHFFFAOYSA-N
+O(CCC1=CN=C(C=C1)Cl)C2=C(C=C(CN)C=C2)[N](=O)=O,1F31C818BAF98770_84389E00CDF56F18_6035_UN,9.038484,00000000000000000000000010000000000000000000000001000000100000010100001100000000001010010100001100101011000101000100001101101111001011110110001111111011110111110111110,KPEOPUWBDKRAIB-UHFFFAOYSA-N
+O(CCC1=CN=C(C=C1)F)C2=C(C=C(CN)C=C2)[N](=O)=O,B7D5CE50B156B26A_0E434128D237988B_6035_UN,9.038483,00000000000000000000000010000000000000000010000001000000100000010100001100000000001010010100001100101010000101000100001101101111001011110110001111111011110111110111110,QFSFVJSSTOJKQI-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)NC3=C(N(C)C)C=CC=C3Br,024B6B54597AE646_ADB4B509BA237869_6026_DP,9.038443,00000000000000000000000000000000110000000000001000010101001111001101010001100001110101111000011011000110011100001100010001101111001101111100011111101111100011111111110,PXSGSEFYNOUUGW-UHFFFAOYSA-N
+FC1=C(C=CC=N1)N[C@@H]2CCN(CC)[C@H]2C3=CC(=C(C(=C3)F)F)F,48C3F31635CFA6E1_2836B9C31AD5BEE9_6041_UN,9.037164,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011000010101000100110010010101011100100110001110110001011011011010110101111010,CBPXPJVIRWQMDT-CJNGLKHVSA-N
+N2CCC(C)(COC1=CC=C(C=C1C(F)(F)F)C#N)CC2,E8C6B8187D1E2674_083BA678B4D343FB_6003_DP,9.036706,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000100001000000101000101101011101101001000011110000100110001111010011110101101111110,AYAVWAOEBQMSOL-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2Cl)F)CC3(COC)CCNC3,7DA77507A3A7F146_5CB5151DE1A563D6_6034_DP,9.036293,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011010011001101110111011001001011100110110100100110001000011001010111101111110,KHMXASHBTJKMIW-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2F)Cl)CC3(COC)CCNC3,152E348DB74D81AC_A4B5881F823986EF_6034_DP,9.036288,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011010011001101110111011001001011100110110100100110001000011001010111101111110,JOPBTKUIVKYQJM-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2Cl)Cl)CC3(COC)CCNC3,93FC3D3A670EDA82_2F193EA030E1809D_6034_DP,9.036287,00000000000000000000000000000000000000000000000000000000000000000110000000010000101111110011010011001101110111011001001011100110110100100110001000011001010111101111110,CWEUGCZNQHCHOX-UHFFFAOYSA-N
+C1CN(CCN1)C3=C2C=CN(C2=CC=C3)CCOC4=CC=C(C=C4)[N](=O)=O,9FA5B86F36772DC5_3AE2BEB1F982B2C8_6034_UN,9.036163,00000000000000000000000010000000000000000000000001000000100000110100001100010001101101100001001110101110110001010100001111101111111011010110001101111001110111110111110,FMGCIXGXJFBMHZ-UHFFFAOYSA-N
+N([C@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C=CC4=NC=CN=C4,35064D4E78F46304_8B86F20D995F0A48_6038_UN,9.036081,00000000000100000000000000000000000000000010000000000000010000000110000000000001000000010001100001110100110100111100011011000100110011100100001011010001101011110111110,OGAJFBXBYWTCEP-MRXNPFEDSA-N
+NC1=CC2=C(C=C1)C=CN(C2=O)CCNC3=C(OC)C=C(C=C3)[N](=O)=O,D1CE903C428293D5_891F45BBACDE4049_6034_UN,9.035227,00000000000000000000000010000000000000000000000001000000100000010100001100010001001011000000111101101110110000110100011101101111001101011110101111111011111111111111110,DDNYEMAMFIPMOU-UHFFFAOYSA-N
+CC1=C(C=C([N](=C1)=O)NC2=C(C=CC(=C2)OC)C)[N](=O)=O,17E15D8916ECC6DA_3E8338B145C83B59_6041_UN,9.035191,00000000000001000000000010000000000000100000000001000000100000010100001100010100100000000000011101100010000000000100000101101111001001010100111111101111100011111111110,MNXUXFDMLWWGDK-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)I)[S](C2=CC=CC3=C2CNCC3)(=O)=O,E4A0A9D38FB79036_BF4A4541B6A37470_6029_DP,9.035044,00000000000000000000000000010000110000000000000000010001001111001001010001000000011000111001001000101110111100011000011001001100111101111110001011011001010010110111110,GKDBJKOPEXPFAE-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C(=O)C=N2)CC4CSC3=C(C=CC=C3)O4,23EC20C2302D13F2_38C4F594AD93B176_6034_UN,9.034574,00000000000000000000000000000000000010000000001000000000010100000100000000010001010001011000100100101100010100100100010011100101000010100110001111001010111111110111110,XZVWKHAOEZZQQP-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NC2=CC=C(COC)C=C2)F,FFA478E9075DC3EA_2CB934A2C4AF714F_6041_UN,9.034429,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000110000011001000010000101000001000100101110001001110000001011101111010111111111110,YCHQFISZJBPEAK-UHFFFAOYSA-N
+C2(=C1OCCC(C1=CC=C2)=O)NC3=C(CCSC)C=CC=C3,BAC9CB4830487DF2_3690DDB2F1C375B9_6041_UN,9.033831,00000000000000000000000000000000000000000000000000000000010000000000000000000000000000101111010100100100010001000101101000000101000011010110000111010011111111111111110,FTASHUSQVUONGS-UHFFFAOYSA-N
+N4CCC1=C(C=C(C(N1CC(CC)C2=CC3=C(C=C2)CCCC3)=O)C#N)C4,2051ED243AB5D8E8_8C6FFC96BED9FCDC_6034_DP,9.033804,00000000000000000000000000000000000000000100000000000000000000000100000000010000101001100001100001101100110000110110111011100101110000000110001111011011011110101111110,JTTBLADSHBIJSO-UHFFFAOYSA-N
+CC2=CC1=C(C(=CC(=C1)Cl)Cl)N2CC3(C(C)CNC3)C,80A22461F6E152AF_A96429CEA6E13C73_6034_UN,9.033684,00000000000000000000000000000000000000000000000000000000000000000110000000010000101101110011000010001101010110001001100011100100110000100110011010001111010110101111010,QJKVLTVCEAVJKK-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC(=C(OC)C=C2)C,521F63DDB3004B26_B585EE6163D93B80_6035_UN,9.033622,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100010010101101000001101001100000011000011100010100110000111100111110101111111110,KTXOUWWJBSEIBY-UHFFFAOYSA-N
+O([C@@H]1CN[C@H]2COC[C@@H]12)C3=C(N)C=CC(=C3)OC(F)(F)F,D76648FF21F535F9_3D9D1079F154F157_6035_UN,9.033095,00000000000000000000000000000000000000000010000000000000010000000000000000000000001110100111000111001100111101011100000011000011110111110110001110100011110011110111110,JKFSDMGMJSCUHS-UBHAPETDSA-N
+C(CCCOC1=CC2=C(C=C1)CCC(=O)N2)=CC4=CC3=C([N](=O)=O)C=CC=C3C=N4,5D3358B33ED832B0_BC5310796B2374D3_7019_UN,9.032606,00000000000000000000000010000000000000000000000001000000100000010100001100000000000000000011101001110110110001110100011111101111001011011100101111111001111111110111110,OMFKVKXZMHASOU-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N)C(=O)C4=C3SC=CC3=C(C=C4)F,2DCC86AE7B60DB7D_D015312B35D7BDE2_6038_UN,9.031532,00000000000000000000000000000000110010000010000000010001001111001001010001000000010110011000101010000110011100101000010000001100001101111100001001101001001010110111110,KKZFRFNSYDNZKM-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)N3C(=O)C2=C(C=CC=C2)N(C3=S)C[C@@]45[C@@](C4)(CNC5)C(F)(F)F,53FDB08E916020AE_3FAE312C57892FC0_6034_UN,9.03138,00000000000000000000001000000000000000000010001100000000000100101110000001010100111101111011100011101100011100101100010011100101110001110110001111001011011110100111110,XIHFBFKSTTUOJK-WOJBJXKFSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCC4=C(C=CC=C4)C#C,A423DC9BB262A2C6_355FD74E2CDACC13_6026_UN,9.031256,00000000000000000100000000000000110000000000000000010001001111001101010001010000011101001000011010001110011000001000010001101100001000001100001011001011010110111111110,ACQNXYAUKKANFZ-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)[N](=O)=O)CCC3=C(C=CC=C3F)Cl,BB7B79F33611D74C_84DFA8D7C4F19464_6034_UN,9.030975,00000000000000000000000010000000000000000010000001000000100000010100001100010000001111010000001010001111110100010000001101101100101001110110001011011011010110110111110,HCBDYUDRDZDYOM-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)[N](=O)=O)CCC3=C(C=CC=C3Cl)Cl,16A85E5C81E5A936_D404630A8494CE95_6034_UN,9.030971,00000000000000000000000010000000000000000000000001000000100000010100001100010000001111010000001010001111110100010000001101101100101001110110001011011011010110110111110,ZWXPKSZXYDZDLE-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)[N](=O)=O)CCC3=C(C=CC=C3F)F,4AD39F00B8EFFEEA_1EBDA99381E6FB2A_6034_UN,9.030955,00000000000000000000000010000000000000000010000001000000100000010100001100010000001111010000001010001110110100010000001101101100101001110110001011011011010110110111110,VZPNRTNMQFQOQB-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)N3C(=O)C2=C(C=CC=C2)N(C3=S)CC4(F)CNCC45CCC5,705615185E057430_8848BEF9B002ABB2_6034_UN,9.030288,00000000000100000000000000000000000000000010001100000000000100101110000001010100111101111011100011101100011100101100011011100101110001110110001111011011011110100111110,PKSXMDYQTJQSSI-UHFFFAOYSA-N
+[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N3CCCC3C4=C(OC)C=CC=C4,A80D6BD0646FB0DB_8A44B2567F291B4C_6026_DP,9.0300665,00000000000000000000000000000000110000000000000000010001001111101101000001010000110100001000011011001110011000011100011011101111011000001100001111111011110011111111110,AZCTWOWASJGGDI-UHFFFAOYSA-N
+O([C@H](CCl)C1=C(C=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C3=CCNCC3,06BB1B82DE1E8461_8C850069C23E7821_6035_UN,9.029588,00000000000000000000000000000000000000000000000000100000000000100000000000001000001000110001000000111001100100010100001001000111110010100110000111010011110101100111110,OEPVHROBAPAWLV-LJQANCHMSA-N
+NC1=CC2=C(C=C1)C(=O)N(C=C2)CC3(CN)C(C3)C4=CC=C(C=C4)F,FDF2D5B27B38AD86_5A02BF5B072895CE_6034_UN,9.029415,00000000000000000000001000000000000000000010000000000000000000100110000000010000101011010011100000101100010100101100010001100101010101110110001111001011011110100111110,DWSBFBXPOBUBHU-UHFFFAOYSA-N
+CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)NC(COC)C5=CC4=C(C=CC=C4)S5,CE07318221B23639_9C7B8E66FC4316D6_6041_UN,9.028723,00000000000000000000000000000000000010100000000100000000000000000100000000000100110100101001010110100100110001010001101011000110110001010100011011010101010111101111110,JPPGQWXANABAQP-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2)NC3=CC(=C(C)C=C3)[S](=O)(=O)N4CCOCC4,F1315B47C4034154_87DF6194F84A4B1B_6041_UN,9.028085,00000000000000000000000000000000110000000000000000010001011111001101000001010000010100101000001110101110011001011000011011101100111111011110001011111011010011111111110,NFTHCUATHPPISO-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCCO2)NC4=C3N=CC=CC3=C([S](C)(=O)=O)C=C4,5FE4997097E50F5D_E412EB1DB1E5771B_6041_UN,9.027679,00000000000000000001000000000000000000000000000000010001011111001101000011000001010000001100010001100110010001001100001011001100001011011110101011111001110011111111110,SGILXUDFSNIVFZ-UHFFFAOYSA-N
+FC2=C1[NH]C=CC1=CC(=C2)NC3=CC5=C(C=C3)OC4(CCCCC4)O5,4D9B66350DE4F178_7E3C0333EE213618_6041_UN,9.026869,00000000000000000000000000000000000000000010000000000000010000000100000010000000000100010000000011000100010100001100001011010100110111110100001011010001100011110111110,JLRKFUBWHAFNQD-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)F)C1)C2=CC=C(C(=C2)OC)C#N,9C2A6275A0B9567E_59C4D5CDC4C64EF5_6003_UN,9.0265465,00000000000000000000000000000000000000000110000000000000000000000000000000010000000101100100010111001000000100010100001001100011110010100110001110011010110101111111110,FRMLVYACPXFXEA-LBPRGKRZSA-N
+O=[N](=O)C1=C(C(=CC=C1)NC3=CC2=C(C=C[N]2CC)C=C3)C#N,E2B71024E9E23FC6_304D39610775698E_6041_UN,9.025463,00000000000000000000000010000000000000000100000001000000100000010100001100010000100101000000001010001110010000000010000101101100001001010100001011001011010110111111110,YUNDYRXIJYRYIS-UHFFFAOYSA-N
+CN1C(=O)CC2=C1C=CC(=C2)[S](=O)(=O)NC3=CC4=C(C=C3)C=C(Br)C=C4,99F66B193308A36F_DF92FEF6A90F0483_6026_UN,9.02545,00000000000000000000000000000000110000000000001000010001001111001001010001010000010101011000111010000110011110111000110001101101001011111100001111101011001010111111110,AZCNPJMQQVAESO-UHFFFAOYSA-N
+FC1=CC4=C(C(=C1)NC2=CC=CC3=C2N(C)CCO3)N=CC=C4,6FD9F53321B0695D_7D722924427818B7_6041_UN,9.025109,00000000000000000000000000000000000000000010000000000000010000000100000000010001000001110001010101101100010101010101101011100100000011110110001011011001110011101111110,KEVCOCMAZKTTJF-UHFFFAOYSA-N
+N#CC1=CC(N(C=C1)CCC2NCCCCC2)=NC3CC3,650AF4669F31A139_A857A84D8E169181_6034_UN,9.025013,00000000000000000001001000000000000000100100000000000000000000000100000000010110101001000011000000101000100000010000001111100000110001010110001010011011010110100111010,RXLFCNKQLNNMGL-UHFFFAOYSA-N
+C[N]2C1=C(CCCC1)C3=C2C=CC(=C3)OC(C4=CC=CC5=C4CNC5)=O,C057007EF74E6CFF_865F975CE933FB21_6038_DP,9.024955,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101100001010010001100010010010100101011110111110000000110001111011001111011111111110,JLUMXRLEDRLLFJ-UHFFFAOYSA-N
+O([C@H]1C[C@@H](CNC1)F)C2=C(C=CC(=C2F)C)C(C)(C)C,D38E6E6A4CFB57F5_0E43FB0B254E8D02_6035_UN,9.024847,00000000000000000000000000000000000000000010000000000000000000000010000000100000001000110010000100101000000100001100000001000011100010100110010111000111110001101111110,LWNXMLDTZXUXNB-RYUDHWBXSA-N
+C2(=CC(=C1OCCC1=C2)CC#N)NC3=CC(=C(C=C3)F)[N](=O)=O,2454F7BE49C7036C_D5E3AE775332E253_6041_UN,9.024222,00000000000000000000000010000000000000000110000001000000110000010000001100000000100100010001001010000110010101010100001100101100101011110100001011111011110111110111110,PVMAYUSQPFTRGQ-UHFFFAOYSA-N
+FC4(F)OC1=C(C=C(C=C1)C=CC3=CC2=C(N(C)CC2)C=C3)O4,391920519A0C7C37_EDEF66000BC3ED73_7019_UN,9.0236435,00000000000000000000000000000000000000000010000000000000010000000000000010010000000101110000010010011100011110011101101011110100000000110100000011011000110011111111110,XBRFPCJBNRJKQL-UHFFFAOYSA-N
+NCCNCCOCCOC1=CC2=C(C=C1)OCCNC2,4D0A5A8966EB5D1E_CEE3F96E71F11D04_6035_UN,9.021332,00000000000000000001000000000000000000000000000000000010010000000000000010000001001010100001000101001100110001010100001011000011110110000110001110110001110101110111110,OZRFXSJKNIZUMA-UHFFFAOYSA-N
+COC1=NC=C(C(=C1)CCOCC2N(C)CC(C2)(C)C)N,D6F609EB573C1ED0_AA57DB0F7D6F3BFD_6039_DP,9.02069,00000000000000000000000000000000000000000000000000000000000000000110000000110001000111100011110110101000000011111101111011100011110011010110011110011111010111111111110,HHYPVKDLUKAMAR-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CCCC2CCNCC2,0D5C1F2C99DC79BE_594CA718BC600F63_7019_DP,9.020195,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100001000000111000100001011000001011000000110010000110001001010001010101100101110,CIIMPLFZWRCFKH-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Cl)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3)Cl,56552B243B4D7244_0F7EF8585202C069_6026_DP,9.020157,00000000000000000001000000000000110000000000000000010001011111001001010001000000011000111001011101001111111101011100011011001111111111111110101111111011110011111111110,VJSDTPNPEPEPPH-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3)Br,B3BD28DAD2A9F68D_4896E3F5116AF3C4_6026_DP,9.020145,00000000000000000001000000000000110000000000001000010001011111001001010001000000011000111001011101001110111101011100011011001111111111111110101111111011110011111111110,KZTIQROFNLRCET-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3)Cl,4A27B5600E140C11_255C015CC6EF20A5_6026_DP,9.020138,00000000000000000001000000000000110000000000001000010001011111001001010001000000011000111001011101001111111101011100011011001111111111111110101111111011110011111111110,MBQOMSKVYWTYGC-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3)F,404025F1D983FA1A_12F71D4B198E052B_6026_DP,9.020129,00000000000000000001000000000000110000000010000000010001011111001001010001000000011000111001011101001110111101011100011011001111111111111110101111111011110011111111110,GUUAUJGLUAWSQM-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)Cl)[N](=O)=O,142E18A365F0DEF4_62394784E5908975_6004_UN,9.018659,00000000000000000000000010000000000000000000000001000000100000110100001100000000000100010000011010000111010100000100000101101111001001110100001111101011100011111111110,MOBSFXMHHMJOKU-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[NH]C=C2C3=CC(=C(C=C3)F)[N](=O)=O,B1B2CD7F76BBB3C5_29D1B5C65BFB51D5_6004_UN,9.018658,00000000000000000000000010000000000000000010000001000000100000110100001100000000000100010000011010000110010100000100000101101111001001110100001111101011100011111111110,WSYAKKLRZGJTAZ-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC2=C(C=C(OCCCC)C=C2)C,03C9049C263F6A94_9800549A55A81A3E_7022_UN,9.018485,00000000000000000000000010000000000000000010000001000000100000010000001100000000100000010000001000000010000101000111101100101111001011110000001111111111110111111111110,SICJUHLTCXXDSG-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC2=C(C=C(OCCCC)C=C2)C,0E957D108D191B97_D3E8A6D8EBC3C29E_7022_UN,9.018481,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000010000001000000011000101000111101100101111001011110000001111111111110111111111110,UNEMAUGMMGYZGN-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C(=C1)Cl)Cl)(C2)C3=CC=C(C=C3)Br,BCC1D105E25DBE0D_516690022FFED2FB_6035_DP,9.017896,00000000100100000000000000000000000000000000001000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,LVQCXPZSIPCUCO-UHFFFAOYSA-N
+N1CCN(CC1)C2=NC=CC(=C2)NC3=C4C(=CC=C3)C=C(C=C4)F,C49D73C79E63260B_D14113F0FF2E6E44_6041_DP,9.0174885,00000000000000000000000000000000000000100010000000000000000000100100000000010101101001110001000000101100110100010000001011100100110101110110001001011001010010100111010,RXBRUNJNVRQPNZ-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)[NH]C=C2)C(=O)C4=C(C=C3OCCCOC3=C4)[N](=O)=O,D25B0B0F8B1FAE0D_8662F5DB893DFB08_6038_UN,9.017391,00000000000000000001000010000000000000000000000001000000110000010100001110000000100100000100101011000110010001100100011111101100001111011110101011111011111011110111110,CKPVJZBSQRUSTB-UHFFFAOYSA-N
+O(C(=O)C1=CC=C([NH]1)C(F)(F)F)CC2C(CCNC2)(C)C,17968BA28E072398_2EC871C98EF61100_6031_DP,9.016977,00000000000000000000000000000000000000000010000000000000000000000110000000100000001100100011000111101000101101011001101011010010110100100110001000010111011111111111110,KKBPGEGQHWPPMN-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCN4CCC5=C4C=CC=C5,11EEBB4C064568D0_3C3B7132E06E748E_6034_UN,9.016822,00000000000000000001000000000000000000000010000000000000000000000100000000010001101101110011000010001100110100010000001011100100110000110110001011011001010110100111010,ZQXLHNPQNZDEHF-UHFFFAOYSA-N
+O([C@H]1CCOC2=C1C(=CC=C2F)F)C5=CC=C([N]3C4=C(C(=C3C)C)C(N=CN4)=N)C=C5,AF8D14C56B8D0C16_6C73295DDF2E2B29_6035_UN,9.016179,00000000000000000000000000000000000000100010000000000100010000100100000000010110100101010100000010100100010101000100001111100111000111110100001111011111110011111111110,XGNIWCPHTPYSPD-SFHVURJKSA-N
+COC1=CC2=C(C=C1)N(C(=O)C=C2N)C[C@H]3[C@@H](CCNC3)C4=CC=C(C=C4)F,A398B46B1B082FA2_00740E6C5E4DD08E_6034_UN,9.016029,00000000000000000000000000000000000000000010000000000000000000100100000000010000101011110011110001101100110100110100011011100111110101110110001111011011111111111111110,JJDWILXLTKLIPH-YJBOKZPZSA-N
+NCC3(OC1=CC2=C(C=C1)[NH]C=C2CC#N)CCOC4=C3C=CC=C4,4BB9E9BD2FBF167A_0EE42E58DD6AF742_6035_UN,9.015891,00000000000000000000000000000000000000000100000000000000010000000110000000000000001110000111000110101100010001011100001011000111010110000110001111010001110111110111110,XYDKYLXOWAGXEC-UHFFFAOYSA-N
+N(C1=C[NH]C2=C1C(=CC=C2)F)C(=O)C3COC4=C3C=C(C=C4)F,75EB21DDE9059C71_538745E32E89D37A_6038_UN,9.015778,00000000000000000000000000000000000000000010000000000110010000000100000000000001100100010110100011000100010101100100010011000100000101110100001011000001111011110111110,ARCCHTXRJPIFBC-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)NC3=C(OC)C=CC=C3SC,CCEA8944810982EB_1B8FECE583DEEFE4_7022_UN,9.015621,00000000000000000000000000000000000000000000000000000000000100101000000000000000010000011000010100000001000100000100000000000111000001110000000111000111100011101111110,RXPOPRVKZAFRNP-UHFFFAOYSA-N
+CC1=C(C=C([N](=C1)=O)NC2=C(C=CC(=C2)OC)F)[N](=O)=O,7E34E8BA140E93AB_52E3AD835AA221CA_6041_UN,9.015551,00000000000001000000000010000000000000100010000001000000100000010100001100010100100000010000011101100010000100000100000101101111001001110100101111101111100011111111110,QOZRYHUHBIDXHA-UHFFFAOYSA-N
+O=[N](=O)C1=CC3=C(C(=C1)NC2(CN(C)C)CC2)[NH]N=C3,4B16A50A2B81D748_ADBBBEFD7467AC5C_6041_UN,9.015408,00000000000000000000001010000000000000000000000001001010100000010110011100100001100101100010011010001110110010011001000111101100011101010100001000011101010110111111110,OPJFMVPKWJKBHP-UHFFFAOYSA-N
+CC(C)(OC1=C2C(=CC=C1)CNCC2)C3(COCC3)N,1E4865206BBB777E_F2A2D3A3D22B41CF_6035_UN,9.015048,00000000000000000000000000000000000000000000000000000000010000000010000000100000001110100111000111101100110011011100101011000011110111000110001111010101110011111111110,NUGIHMGOYWGQIX-UHFFFAOYSA-N
+FC2=C(C=C1C=C[NH]C1=C2)NC[C@@]34CCN[C@@H]3CCC4,564ADF0217CCD9C1_F8AD3325C059A156_6041_DP,9.014565,00000000000000000000000000000000000000000010000000000100000000000110000000000000101100010011000010001100110100011000001011000100110101110110001010010011010110100111010,RTRZIOHZFYXXRK-HZPDHXFCSA-N
+O(C(=O)C2=C1CCNCC1=C(C=C2)F)CC3=CC=C(C4=C3CNCC4)N,D0EC4AA1E7ECCDCA_99B32C09554AF8E5_6031_DP,9.013452,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010110011000000101100110101010000001011010110110101110110001011010001011111110111110,ITMGEEDEAKVLHG-UHFFFAOYSA-N
+C[N]1C=C(C2=C1C=CC=N2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,D398F9CE84DCE8F9_FC9E130C8CD79B5A_6041_UN,9.01337,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011010010101100110110010001101011100100000001110100001011011111010010101111010,NNWLGNGKUCLRFY-BEFAXECRSA-N
+N3CCC(OCC(=O)C2=CC1=C(C=CC=C1)[NH]2)C34CCCC4,91D9149945BBA051_88D6A2D5B815175A_6039_DP,9.013146,00000000000000000000000000000000000000000000000000000000000000000110000010000000001100000011000111001100110001011000001011000111110110000110001100010001111111110111110,KPICZUYKHFLQNO-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)N2CCOCC2)C3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F,9B840D0338219884_D25CDCC3A0966C82_6035_UN,9.01303,00000000000000000000000000000000000000000010000000000000010000100000000000010001101101100101000111101100011101011100001011110111110011100110101101111011111011110111110,RTLGJKTXUWUULS-GDBMZVCRSA-N
+CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,2AD93EBF2338CC25_FEC1CA7488E0080C_6035_UN,9.0119095,00000000000000000000000000000000000000000000000000000000000000100000000000100000001000100001000000101000100010010101101001000011110010000110010101010111110001101111110,MHDZXRPWGYCDQF-KXIGMZGYSA-N
+BrC2=C1C=CN(C(C1=CN=C2)=O)CC3(F)CNCC34CCC4,4F9431D5A05141B4_60F3BAC081478D98_6034_UN,9.011894,00000000000100000000000000000000000000000010001000000000000000000110000000010000101101110011100011101100010100101100011011100101110000100110001111011011011110100111110,XRIUOPJAMRPSFA-UHFFFAOYSA-N
+N2C[C@@H](COC1=C(C=C(F)C=C1C#N)F)OC(C)(C)C2,92E3EA66082DDF3A_D265FFAC8CEB91E9_6003_DP,9.011417,00000000000000000000000000000000000000000110000000000000010000000010000010100000001000110010000101101000000111001101000011000011100010100110001111000111110101111111110,FLERIDPKPYPUBU-NSHDSACASA-N
+C[C@H]1[C@@H](CCN1)OC2=CC=C(C=C2)CCC3CCNCC3,35B91106B42DF3DB_DD979FCDB5BB2C30_6035_UN,9.009928,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100011000111101000100010010100101011000011110110000110001101010011110111101111110,CGVBGPJYZBITEN-KBXCAEBGSA-N
+O(C(=O)C1=CC2=C(C=C1)CNCCO2)CC3(OC)CNCC3,A554CE1C52C8BFB2_839885C9E4C76139_6031_UN,9.009878,00000000000000000001000000000000000000000000000000000000010000000010000010000000001100100011010111001100110011011100101011010011110110000110101110110001111101111111110,KKSDNNZRQJZIBT-UHFFFAOYSA-N
+NN1C(C2=C(C1=O)C=CC(=C2)NC4=CC3=N[N](C=C3C=C4)CC=C)=O,63C7BACBA341B786_1A377CCB554434A3_6041_UN,9.00978,00000000000000000000000000000000001000000000000000001000000000000100010000010000100110000100101110011100010000110000010011101101001101011100001111001011011110110111110,FKAUAYLKCVFACF-UHFFFAOYSA-N
+C(#CCCN1CCNCC1)C3=C2C=CC=CC2=CC=C3C#N,F38F19FB3D3F8D42_3D9C8B696AD6C296_2267_UN,9.009545,00000000000000000100000000000000000000000100000000000000000000000000000000010001001001100001000000101100110000010000001011100100110000000110001011011011010100100111010,KRJHBIYWMPWDRA-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)CN[S](C2=C(C=C(Cl)C=C2)CBr)(=O)=O)C,F4F940A71D801A78_95A0BCECEF226937_6029_UN,9.008953,00000000000000000000000000000000110000000000001000010001001111001001010001000000011000011001001000001011001100001000110000001100001000101010000011001111010110111111110,VDHKDPRISZESGX-UHFFFAOYSA-N
+CCOC2=C1C(=CN(C1=CC=C2)CC3N(C)CCNC3)CC#N,094239EBBF172617_740C0105CB339E83_6034_UN,9.008409,00000000000000000000000000000000000000000100000000000000000000000100000000010001101101100011010011101100110001010111101011100111110000000110001101011111110111101111110,MZIIDHJTFKJZKL-UHFFFAOYSA-N
+CC(C)C(OCCC1(CCNCC1)C#N)C2=NC=C[N]2C,1EA2206292F4A1C4_DBC9F29C011FE6FD_6039_DP,9.008387,00000000000000000000000000000000000000100100000000000000000000000110000000110101001101100001010110101000100011011000001011100010110010000110011010011111110111101111110,RSKIGPYRLFDJJY-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)C)C)NCC3=CC(=NC=C3)N4CCN(CC)CC4,1C0B87BF171B114A_6D7DAF9B7AACDBF4_6041_UN,9.008265,00000000000000000000000000000000000000100000000000000000000000100100000000010101001001100000000000101100010010010010101011100100110001010110011011011111010110101111010,YMDHOKCTPZZECK-UHFFFAOYSA-N
+CC(C)(COC2=CC1=C(C=C(N)C=C1)C=C2)N3CCNCC3,5DF5A8660B58F9A4_4B184C69BF4522DF_6035_UN,9.007846,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011100001000100101100110011011101101011100111110101010110001101011101110111101111110,CSKYQXMQNVRDRZ-UHFFFAOYSA-N
+COCC1(CNC1)OC2=CC4=C(C=C2)C(COCC3=CC=CC=C3)NCC4,82D7B87203A15C68_65025FA3AE6844EA_6035_UN,9.007646,00000000100100000000000000000000000000000000000000000000000000000010000010000000001000100011010101101100110011011101001011000111110110000110001111110001110111111111110,ZFAPOZXVMQMEOU-UHFFFAOYSA-N
+CN1C(=O)N(C2=C1C=CC=C2)CC4CNC3=C(C=CC=C3F)C4,4C80527B5C28F52D_C31B110098B32F10_6034_UN,9.007486,00000000000000000000000000000000000001000010000000000000000000000100000000010101101101010010010010101100011110100100010011100101100000110110001111001011011110101111110,JJFQEYIWQLPIFS-UHFFFAOYSA-N
+N1CCC(=CC1)C2=C[N](C3=C2C=CC=C3)C4=C(N(CCCCCC)C=CC4=O)C,69FB7115B20D9539_9279E8A38218AEFF_6034_DP,9.007103,00000000000000000000000000000000000000000000000000100000000000100100000000011001001101100001000111111100110010010111101011100101110001010110001111011111111110101111110,SQELJYMMUZQBOA-UHFFFAOYSA-N
+CC(C)(OC1=N[N](C)C2=C1CCNC2)CC3=CC4=C(C=C3)OCO4,7D42C45558BC2E90_2E3754C9CA6BBF85_6035_UN,9.006971,00000000000000000000000000001000000000000000000000001000010000000110000010110001101100100001111111101100110011111101111011111111110010000110011111111101110111111111110,PCECEEJQWOTADN-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NCCC2=C(C)C=CN=C2,270A805F610F36B9_D52A69F449D326FE_6041_UN,9.006692,00000000000000000000000010000000000000000010000001000000100000010100001100000000101000010010001000101010100110010010101101101100101001110100001011011111010110111111110,CWSZQUVSOMSLMQ-UHFFFAOYSA-N
+N3CC[C@@H](N)C[C@@H](OC1=CC=CC2=C(CN)C=CC=C12)C3,3FB13BC2E1C1CB6C_7B7A315629EDE69B_6035_DP,9.006532,00000000000000000001000000000000000000000000000000000100000000000000000000000000101010100011000101001100110000010100001001000111110111000110001101010001110111100111110,AJYBHUODQFYVPI-ZIAGYGMSSA-N
+CC1=C(C=CC(=C1)CC#N)OCC2=C(F)C=CC(=C2)C#N,33DD14D92F5F0E13_8D57FA0D66A6B9F6_6039_UN,9.005585,00000000000000000000000000000000000000000110000000000000000000000000000000000000000000010000000000000000000111010100000000000111000000100000001111000010110101001111110,QGKZWXSBFYMPSU-UHFFFAOYSA-N
+CC1CNCCN1CC(C)(C)OC2=CC(=C(C=C2)N)COC,D57F459661027113_4D911132F8227FDD_6035_UN,9.005448,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011100011010101101000100011011101101011100011110111010110011111011111110111111111110,QCTLPYZZXMTPLS-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=CC(=C(C(=C1C)C)C#N)C)[C@@H]3CCN[C@H]23,B70A36E802F2AF58_5819AED4DC51AEAC_6035_UN,9.005419,00000000000100000001000000000000000000000100000000000000000000000010000000100000001100000011000011001000110010011100001001000011000000000100011110010111110011101111110,SDPCLKQZDBZUBF-COXVUDFISA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC(=C(C=C2)N)C,9132F3D9F1FEB078_401808EBF31EA59E_6035_UN,9.005382,00000000000000000000000000000000000000000010000000000000010000000000000010000000001010100010000101101000001101001100000011000011100111110110001111000011110111111111110,FOVWLIURLQAHMV-UHFFFAOYSA-N
+N2CCC(F)(F)C(COCC1=CC(=CC(=C1)C(F)(F)F)N)C2,27618E779033AFA0_467E3962D22D2E10_6039_DP,9.005197,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010110011000001101000101101011000001001000010110101110110001001010011010111100111110,OIEXIEOVUKWXMJ-UHFFFAOYSA-N
+CC(C)(C)C4=NOC(CNC(=O)C3=CC2=C(C=C1OCCOC1=C2)[NH]3)C4,0FE028DBE12AEDFA_10769361FAD1F5B8_6038_UN,9.004869,00000000000000000000000010000000000000000000000000000010010000000110000110100011101100000011101111101110010001111100111111001100000110000110111011110101111111111111110,QBCOJMRQWOFKPQ-UHFFFAOYSA-N
+C1(=C(N=CC=C1)CC2(CC2)C#N)NC(C3=CC=C(CC)O3)COC,B47BDE248A6A9420_81486EB2BFB853BB_6041_UN,9.004236,00000000000000000000001000000000000000000100000000000000010000000110000000000001000100100110010110100000100001011011000011000110010011010100001010010111110111111111110,XMHXJGHXWFDBTK-UHFFFAOYSA-N
+COCCC1=CC=C(C=C1)OCC(OC2=C(C)C=C3C(=C2)CCNC3)CN,261A622C02DBF71C_FCD43036459CF93A_6035_UN,9.004005,00000000000000000000000000000000000000000000000000000000000000000000000010000000001010100011010101101100110011010101101001000111110110000110001111110111110101111111110,UPORMVISYKMYFD-UHFFFAOYSA-N
+O(CC=CC1=CC2=C(C=C1)OCO2)CC3OCCNC3,E7DFDF4E08C4667A_E2E6245B86AC8ABB_6039_DP,9.00366,00000000000000000000000000001000000000000000000000000000010000000000000010000000001100100011000111111100110001010100001011010010110010000110100011110001110101110111110,XQWMQKKRJPSZBW-UHFFFAOYSA-N
+N2C[C@H](COC1=C(C=C(CCOC)C=C1)Cl)OC(C)(C)C2,49096AD06892F780_1CA269D4EB2856FB_6035_DP,9.003001,00000000000000000000000000000000000000000000000000000000010000000010000010100000001000110010010101101001000111001101101011000011100010100110010111110111110101111111110,ZRLSLCPSNCXWBI-CYBMUJFWSA-N
+CCC(OC1=C2C(=CC=C1)OCCNC2)CN3CCNCC3,D684B25A9D253332_C9FD9CE80211ED80_6035_UN,9.002158,00000000000000000001000000000000000000000000000000000000010000000000000000010001001001100101000101101100110001010110101011100011110110000110001111011001110101111111110,NSBQDMLXNZUITA-UHFFFAOYSA-N
+C[N]1N=CC(=C1)O[C@H]2[C@@H](CNC2)OC4=C3C=CC(=CC3=NC=C4)Br,AC0BA11EEE0B2C01_0A1376E1B3501046_6035_UN,9.002112,00000000000000000000000000000000000000000000001000001000000000000100000010010000101100110001011111101100010100000100000011101111010010100110001101001011110011111111110,HATRVCNEBIWMPK-IAGOWNOFSA-N
+C[N]1N=CC(=C1)O[C@H]2[C@@H](CNC2)OC4=C3C=CC(=CC3=NC=C4)Cl,28ECFD2F1B8CA009_5307CE013107639B_6035_UN,9.002103,00000000000000000000000000000000000000000000000000001000000000000100000010010000101100110001011111101101010100000100000011101111010010100110001101001011110011111111110,PUWIFONUBUNZNL-IAGOWNOFSA-N
+O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=CC=CC4=C3CN(CC)C4,8203F995CCFD4D62_D03F0666A8BF0D6B_6041_UN,9.001668,00000000000000000000000010000000000000000000000001001100100000010100011100010000100101100011001010001110010000000010100111101100011101010110001011001001010110111111110,QKJRSWHLPGVXDT-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)N(C)CC3=CC4=C(C=C3)C=C(OC)C=C4,D27791C6989DD2B7_A7072B6E7E58F628_6026_UN,9.000531,00000000000000000000000000000000110000000000000000010001001111001001000001100000010001101000011000001110011000001101010000101111001001011000011101101100110111111111110,QGBAUUBHPXFALF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N=C(CC#N)[N]2CC(C3CCNCC3)F,5C301AA639B4ADFC_369EF9AE57D76ED2_6034_DP,9.000487,00000000000000000000000000000000000000100110000000000000000000000100000000010101101101110001000010101100110100010000001011100100110000100110001011011011010110100111010,DHDNWECLTDIJBC-UHFFFAOYSA-N
+C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CC(OC)CN,2A2706806A40FE49_46D685F718FA5264_6034_UN,9.000277,00000000000000000000000000000000000000000000000000000000000000100100000000010000101111100011010110101100110000010000101011100110110110000110001011011011110111101111110,VISBATCGFIKRQO-UHFFFAOYSA-N
+C[C@@H]4[C@H](OC1=CC=C(C=C1)SC3=C2C=CC(=CC2=NC=C3)Cl)CCN4,12CDC4D8E55D642E_C8024E1DC6C09370_6035_DP,9.000085,00000000000000000000000000000000000000000000000000000000000100001100000000000000011100011011000111101101110110010100101011000111000010100100001101010011110011101111110,OPLUSIBAJVVSIN-BFUOFWGJSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=NC=C(SC)C=C2,A12DECDF712343EC_786796261A95A516_7022_UN,8.9997835,00000000000000000000000010000000000000100000000001000000100100011100001100000100110000001001011100100010000001000110000101101111001001010100001111101111110111111111110,WNIBOZRFRPKHHO-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NC2=CC(=NC=C2)SC,18E205DDD71DAF5F_111AC2CCE4FAD47A_6041_UN,8.999632,00000000000000000000000010000000000000000000000101000000100100011100001100000000110000001000011100100010000000000100000101101111001001010100011111101111100011111111110,COTNPBVWERXALG-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)C=NC(=C2)NCCN(OC)C)F,45E3ECB0AB3485EE_0D487A23484F9968_6041_UN,8.999419,00000000000001000000000010000000000000100010000000000000000000000100000100000101001000110000011001101110110110010101101001101111000011110110011111011111110111111111110,BGSGDVWFNOQOBY-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=C(C(=CC(=C2F)F)F)F,765398EF5A54CB4C_E016E1CF3CA28305_6035_UN,8.99901,00000000000000000000000000000000000000000010000000000000000000000010000000100000001001110001010101101000100110011101001001100011110010100110001111011111110101101111110,DRDPYYSZNIKBLW-UHFFFAOYSA-N
+NCC1=CC(=O)N(C2=C1C=CC=C2)CC3(CCNC3)C4=CC(=CC=C4)F,9333D40ED1425BCA_284C0AC48C6073D5_6034_UN,8.998875,00000000000000000000000000000000000000000010000000000000000000100110000000010000101111110011100010101100110100111100011011100101110100100110001111011011011110100111110,HUSKOAMSBSLPOB-UHFFFAOYSA-N
+S(C1=CC2=C(C=C1)OCC2)C(=O)C4=C(C=C3N=C[NH]C3=C4)F,D52C1DA96703404D_1E4B0BDC0B089E02_6038_UN,8.998793,00000000000000000000000000000000000000000010000000000000010100001100000000000101010100011000000010000100010101000100001011000100000010100100001011010011111011010111110,DKJFZXNOPBZKKM-UHFFFAOYSA-N
+O(C(=O)[C@H]1NCCNC1)CC[N]3C2=C(C=C(N)C=C2)C=C3,91D39FE01D8EECDD_2EA374867CD1B794_6031_UN,8.998367,00000000000000000000000000000000000000000000000000000010000000000100000000010001001111100001000111101100110001010000001011110110110111010110001001011001011111110111110,TXQPQFCEHJLMKT-ZDUSSCGKSA-N
+FC1=CC2=C(C=C1)C(=CC=N2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,A3CC9C4CBAA6D93A_83DBFDA8E8B815CE_6041_UN,8.998365,00000000000000000000000000000000000000000010000000000000010000100100000000010000100001110000000100101100010101010000001011100100110011110110001011011011010011100111110,JCLHNCOIEXLDSB-UHFFFAOYSA-N
+CC1=NC=C(C(=C1)NC2=C(C)C=C(C=C2F)[N](=O)=O)C,D6621CBEFBCAEF57_A7891889444FD7FA_6041_UN,8.998008,00000000000000000000000010000000000000000010000001000000100000010100001100000000100000010000001000100010000100000000000101101100001001110100011011001111000010111111110,XPQQZFHNECMNJA-UHFFFAOYSA-N
+N2CCCC(N)(COC1=C(C=C(C(C)(C)C)C=C1)Br)C2,797E696FC2170C3B_1644BFDA55900BA9_6035_DP,8.997708,00000000000000000000000000000000000000000000001000000010000000000010000000100001001010110011000101101000100101011100001001000011110101100110011111010111110111101111110,GMXBESJKJCDRBQ-UHFFFAOYSA-N
+N2CCCC(N)(COC1=C(C=C(C(C)(C)C)C=C1)I)C2,63C604FA1E6C9D17_B581CE8A158A37B0_6035_DP,8.997705,00000000000000000000000000010000000000000000000000000010000000000010000000100001001010110011000101101000100101011100001001000011110101100110011111010111110111101111110,PVCHIFAKPLWNCQ-UHFFFAOYSA-N
+FC1=C(C=CC=C1)OC2=C(C=NC(=N2)NC[C@@H]3O[C@H](C(C)(C)C)CC3)F,3442112825C3845E_11B326FF78AB292D_6041_UN,8.997128,00000000000000000000000001000000000000000010000000000000010000000110000000100100101100010011100111101000001110101100111011000111110011110100011111010111110111111111110,ZJHXERWBIFNCIZ-WBMJQRKESA-N
+CC(C)OC1=CC=C(C=C1)[C@H](C)OCC2OCCC23CNC3,E2984AB5196DF378_158EFBF5A090D606_6039_DP,8.996708,00000000100100000000000000000000000000000000000000000000010000000010000010100000001100100011000011001000010001001100101011000011110010000110010100110101110101111111110,DZFDTARRZKRQNL-MBIQTGHCSA-N
+N2CC[C@@H]([C@H](OC1=C(C(=C(N)C=C1)F)F)C2)C3=CC(=CC=C3)C(F)(F)F,8B13460C502890E7_B47959B700A3DECF_6035_DP,8.996482,00000000000000000000000000000000000000000010000000000000000000100000000000000000001010110001000100101000101100011100001001000111110111110110001111010011110011100111110,GBBXWQDCIXXNRT-IUODEOHRSA-N
+FC2=C1N=C(N(C1=CC=C2)C[C@H]4CC3=C(C=CC=C3)CN4)C5CCNCC5,8557B36B6D0B3F89_51A7651E64D6EAD2_6034_UN,8.996435,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101110001000010101100110100010000001011100100110100100110001011011011010110100111010,NZYWAFUIKDVMOM-GOSISDBHSA-N
+[S](=O)(=O)(C1=C(SC=C1)C#N)NC2=CC4=C(C=C2)OC3(CCC3)C=C4,6611998EBA8E4950_18329E6B1ADDDB47_6026_UN,8.996313,00000000000100000000000000000000110010000100000000010001011111001011010001000000010100001000001010110110011000001100011010001100001011011100001011111011100011110111110,GIFDTYWAPWBQKL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]N=C2)NC[C@@H]3C[C@@H](CN3CC4=CC=N[N]4C)F,C036005926F87F18_3E014322D0B4D139_6041_UN,8.9958515,00000000000000000000000000000000000000000010000000001000000000000100010000010001101101110011011010001100010100010000100011101100111101110110001010001011010110101111010,ZQYKRXALYWYMOS-BBRMVZONSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=NC(=NC=C3)S,0CB1AA83EC0167FD_5BBB407205E7047E_6035_UN,8.995466,00000000000000000000000000000000000000000010000100000000000100101110000000000100111100111011100111101000101100111100011011000111010110100110001101010001110011100111110,MKVVWRCXISAWBM-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NC(CC)C3=CC4=C(C=C3)OCCO4,798FDA01C2D9D17F_BAA80D66879978B4_6041_DP,8.995357,00000000000000000000000000000000000000000000000000000000010000000000000010000000001000100001000001101100110001010110001011000111110111010110001111110001110111111111110,RDJLBQBWKCJDCU-UHFFFAOYSA-N
+C[C@@H]2C[C@H](OCCCC1=CC=C(C(F)(F)F)C=C1)CCN2,E11D35DA8DA45041_E808D54C63FF0C97_6039_DP,8.995176,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000000001000001101000101111011001101001000011110010100110000101010001110111101111110,YQFXKAPVKOLTTJ-IUODEOHRSA-N
+COC1=CC2=C(C=C1)[NH]C=C2CC(=O)OCC3=CC4=C(C=C3)CNCC4,4FDCFC5E48244606_11AA7533348CA2AE_6031_DP,8.994886,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100100011010010101100110001010100001011010111110110000110001111110001111111111111110,DILAMHPUBFFSDF-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[NH]C=C2NC3C4=C([S](CC3)(=O)=O)C=CC(=C4)F,9AB47E81F11C6D11_E88F754DFB528BE8_6041_UN,8.9943285,00000000000000000000000000000000000010000010000000010111001111000101000001000001110100011010010010100110110100011100001011001111001111111100001111111001110011111111110,DLZGKYBULCQCDE-UHFFFAOYSA-N
+CC1=C(C3=C(N1C[C@H]2OCCNC2)C=CC=C3)C4=CCNCC4,5F2310B50F2220B2_280A5115BCF40587_6034_UN,8.994165,00000000000000000000000000000000000000000000000000100000010000100100000000011000101101100011000110111100110011010000101011100100110110000110001011011011110111101111110,XREGJXHODIDKOO-INIZCTEOSA-N
+CC(C)(C)C[C@H]1[C@@H](CNC1)COC3=CC2=C(CCC(C)(C)O2)C=C3,D4514ECF4B19403F_A2F7C512F5C3EBD1_6035_UN,8.993569,00000000000000000000000000000000000000000000000000000000010000000010000000100000001100100111000011101100010011001101101011000011110010000110010111010111110101111111110,ZCMGIJOTFNADAX-SJORKVTESA-N
+FC1=CC(=C(C=C1)[S](=O)(=O)NCCC2=C[N](C3=C2C=CC(=C3)C)C)C#N,4650E380E7EF9C05_224059855D3B2BD5_6026_UN,8.991783,00000000000000000000000000000000110000000110000000010001001111001101010001010000011101011000011010001110111110011000011001101100001000101100001011011111010110111111110,CDEDKVRXGRLCOR-UHFFFAOYSA-N
+ClC1=CC(=C(C=C1)[S](=O)(=O)NCCC2=C[N](C3=C2C=CC(=C3)C)C)C#N,9CD61D199B83D043_55334DE0D0B13C0D_6026_UN,8.991762,00000000000000000000000000000000110000000100000000010001001111001101010001010000011101011000011010001111111110011000011001101100001000101100001011011111010110111111110,CMBRAZRBUYWOAS-UHFFFAOYSA-N
+N2C[C@@H](OC1=C(N)C=C(C=C1)OC(F)(F)F)C[C@@H]2CN,EB4E6A50C2657481_8D31263AB64BE7BB_6035_DP,8.991714,00000000000000000000000000000000000000000010000000000010000000000000000000000001001110000011000111001000101100011100000001000011110111110110001110000011110111110111110,SFHFUFYYUPQTAK-APPZFPTMSA-N
+O(C1=CC2=C(C=C1)C(=O)OC2)C3=CC4=C(C=C3C#N)[NH]C=N4,DC7EAD49BCA73EA5_4A42E51CE914F142_6003_UN,8.991543,00000000000000000000000000000000000000000100000000000000010000000100000000000101000100000000000011000100010001000100000011010111000000000100001111100011111011010111110,MZUKFCJVYCPTPG-UHFFFAOYSA-N
+CC1(CNCC1)OC2=CC3=C(C=C2)C4=C(O3)C=CC=C4,0DFC2098B2EC4E03_5A6330E2FED4B124_6035_UN,8.991289,00000000000000000000000000000000000000000000000000000000010000000010000000000000001100100111000111001100110010011101101011000111010010000110000101010001110001111111110,SAOJRMIOYVIWPE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NC3=C(C)C=C(C=C3)SC#N,D0E6AC065B2D25BB_ED03BAB326D207AA_6041_UN,8.991244,00000000000000000000000000000000000000000100000100000100000100001100000000000000110100001011000010000100010000010000000001000100000101010100001011000011000110101111010,NLPQQOXUNGKBOH-UHFFFAOYSA-N
+C1(=NC=CC(=C1)C2=NCCN2)C3=CN=C(C=C3)[N](=O)=O,C3E9A98C2A11E144_3778E07B192D312A_6006_UN,8.990688,00000000000000000000000010000000000000100000000001000000100000110100001100000111101100000011001110101010100000010000001111101100001001010110001001011001010010110111110,UEWASBZCHKLFHF-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2=NC(=C(Cl)N2C[C@H]3[C@H](CC(C)(C)C)CNC3)C#N,3EB27C9015E8C8BD_BEFC0314CF0BAAFF_6034_UN,8.988646,00000000000000000000000000000000000000100100000000000000000000100110000000110101101101110011000010001001000110001001000011100100110000100110011010001111010110101111010,DYQRLVHMEYBMEC-SJORKVTESA-N
+[S](=O)(=O)(C2=CC1=C(C=NC=C1)S2)N(C)CC3=CC4=C(C=C3)OCC4,317D96F78A88CC1C_A04FD98F0DF5C60B_6026_UN,8.988638,00000000000000000000000000000000110010000000000000010001011111001101000001000000010100101000011010101110011001001101011011101100101010001110001011111000110111111111110,ZRFXDIBWXPNYHZ-UHFFFAOYSA-N
+CO[C@H]2C[C@@H](COC1=CC(=C(N)C=C1)OC(F)(F)F)NC2,90222C31A50E04D5_52A916F6F7C12E66_6035_DP,8.98841,00000000000000000000000000000000000000000010000000000000000000000000000000000000001110000111010111001000101101011100100001000011110111110110001110100011110111111111110,IHITWYHTXQRAIT-WPRPVWTQSA-N
+N([C@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C4=CC5=C(C=C4)N=CNC5=O,3BB1A19DFD86392E_46257FEB266F2CA1_6038_UN,8.987792,00000000000100000000000000000000000000000010000000000000010000000110000000000100100000010001100001100100110100111100011011000101110111101100001111110001101011110111110,LOGSJUXXMCUWJV-QGZVFWFLSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)CCOC2=O)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,64C4BD33094E1EA1_07C9647146D69BEF_6026_UN,8.987691,00000000000000000000000000000000110000000000000000010001011111001001010001100000010001101000011000100110011001001000011000111101001011011100101111111101011011111111110,HOEKDHJZSDBGDY-UHFFFAOYSA-N
+[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCC3=C(C=C(OC)C=C3)OC,FAAD0A395F89AB25_A850CD79F17D884A_6026_DP,8.987684,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100001100011011001110011010001100010001001111001100001100101111101111110111111111110,NYROXRIMUOKNPR-UHFFFAOYSA-N
+FC2=C(C=C1C(=CC=NC1=C2)NCC(C)(C)C3=CC4=C(C=C3)OCCO4)F,1479F37A865E0993_FCA0F7D9A655DE56_6041_UN,8.98758,00000000000000000000000000000000000000000010000000000000010000000110000010100000101000010000000000101100010101001101001011000100000011110110001011010111110111111111110,GESIZZKCNSEBNN-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)N4CCC(OCC3=C(OC)C=CC=C3)CC4,3FCD1AD571E09315_AC50130C69DB9FB0_6026_UN,8.987005,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100101100011011101110011011011100011011101111111010001110101111111011110111111111110,CBUPCKAZEDDTIP-UHFFFAOYSA-N
+N3CC(OCC1=CC=CC2=C1N=C(C)O2)(C3)C5=C4C=CC=CC4=CC=C5,68D6720DF0F7E6B9_DC8CC4283EAA0F30_6039_DP,8.987,00000000100100000000000000000000000000000000000000000000010000100110000000000000001100100011100111001100010001101000010011000111010010000110001101000001110111111111110,RUEAEXGBDJRLPY-UHFFFAOYSA-N
+FC1=CC(=C(C(=C1)F)NC3=C2C=NC=CC2=C(C=C3)N4CCOCC4)F,08F3D467457B3A70_35CF250A637182AF_6041_UN,8.986682,00000000000000000000000000000000000000000010000000000000010000100100000000010000100001110000000100101100010101010000001011100100110011110110001011011011010011100111110,AIDGFTTURQFPBT-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CC5(C4)OCCC5,3CCEF3B5269D77CE_315BFD6A3B822AA1_6026_UN,8.986487,00000000100100000000000000000000110000000000000000010001011111001111000001010000010100101000001110101110011001001100011011101111111010001110101101111000110011110111110,VEWJQIQNWZVWDD-UHFFFAOYSA-N
+CCC(OC1=C(C=C2C(=C1)CNCC2)F)(C#N)C3=CC4=C(C=C3)OCO4,B4A7C48978A85510_03B513D038EF55D2_6035_UN,8.986276,00000000000000000000000000001000000000000110000000000000010000000010000010000000001100110001000110101100110101011110001011010111110010100110001111110011110101111111110,MAXXGFIDQXIDMM-UHFFFAOYSA-N
+C2(=C1OCCCC(C1=CC=C2)=O)NC4=C3N=CC=CC3=C([S](C)(=O)=O)C=C4,63826D0BB4585BA4_CB3BAC7DBECC5227_6041_UN,8.986036,00000000000000000001000000000000000000000000000000010001011111001101000001000001010000001101010100100110010001001100001011001101001011011100101111111001111011111111110,PNJMXGNIMRGYNE-UHFFFAOYSA-N
+N1CCC(CC1)C(F)COCC2=CC(=C(OC)C=C2)C#N,9F1E23B9494A2332_B1A05F0030285D3A_6039_DP,8.985762,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000100001010001101000100101010100001001000011110000100110001111010011110101111111110,IABWCMXIDKFPHO-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NCCC3=C(C=C(OC)C=C3)Cl,81603BBEDBDE042F_2CB6B2F7D1EEC930_6026_UN,8.985414,00000000000000000000000000000000110000000000000000010001001111001001010001100000011001111000011000001111111100011100011000101111001001111000011111111111110111111111110,BAVULAHNVWTTPH-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NCCC3=C(C=C(OC)C=C3)F,2BF3A61DEB5A1DE7_1E8E340181748BB7_6026_UN,8.985387,00000000000000000000000000000000110000000010000000010001001111001001010001100000011001111000011000001110111100011100011000101111001001111000011111111111110111111111110,YBYUSAQWVKEVLL-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)NCC3C2CCC(CN2)C3)C#N,A8C4D036E8F58818_9E1C139A53A4C2F6_6041_DP,8.985132,00000000000000000000000000000000000000000100000000000100000100001000000000000000111000001011010000101000110000010000001001000000110101010110001011010011010110101111010,XWESHYGSWSZFHR-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC23C(C2)CNC3)C=CC=C4)C5CCNCC5,821C933628949932_437AE421A3C73EAD_6034_UN,8.984552,00000000000000000000001000000000000000000000000000000000000000100110000000010000101101100011000010101100110010011000101011100100110100000110001011011011010110101111010,UHCXELOHDJWVKM-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCCC2)NC3=CC=C(C[S](N(C)C)(=O)=O)C=C3,CD8B0EDAEBF1A0C7_1727979197F72DD2_6041_UN,8.984495,00000000000000000000000000000000110000000000000000010001011011000101000001100001010000101001111000100110011001111100111011101100101011011110001011111101010111111111110,ICPCYXFCXSEXQF-UHFFFAOYSA-N
+CC1=NC(=CC(=C1)[N](=O)=O)NC2=CC(=C(C=C2F)C)C,891D4EE107FD9DE0_35C9579C5A74E54B_6041_UN,8.984494,00000000000000000000000010000000000000100010000001000000100000010100001100000100100000010000001000100010000100000000000101101100001001110100011011001111000010111111110,CHCVKXOSPTTYSD-UHFFFAOYSA-N
+C[N]1C=C(N)C=C1C(=O)OCC2=CC3=C(C=C2)CNCC3,B4E6A2638B6DFAD0_73F37A0576C838B9_6031_DP,8.983887,00000000000000000000000000000000000000000000000000000000000000000100000000010001101111100001010110101100110001010000001011110110110101010110001011011011011111111111110,YJALPZXHDROGJR-UHFFFAOYSA-N
+C[S](=O)(=NC1=CN=C(C=C1)NCC2C3=C(CC2)C=C(C=C3)F)C,BA7AC648E5C6AAB7_C42B7F40AD0F1C1C_6041_UN,8.98376,00000000000000000000000000000000110000100010000000010000001011000101000001100101001000111011011010101110010100001000011101001100111001110100001011011101010110101111110,XKAKOWFSVOTJCI-UHFFFAOYSA-N
+CO[C@H]3C[C@@H](COC2=CC1=C(C=C(C)C=C1)C=C2)NC3,0BAE767D7872A143_7023EA81E563B147_6035_DP,8.983433,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100000011010111001100110001010100100001000111110010000110000101000101110111111111110,CRGHXLPGCLTUCA-RDJZCZTQSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NC2=C(CC)C=C(C=C2C)SC#N,4217571E112EF425_2F964607A17A3C55_7022_UN,8.98267,00000000000000000000000010000000000000100100000101000000100100011100001100000101010000001010001100100010000010000010000101101100001001010100001011001111000110111111110,ZSQRYRJQKZPWOD-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=C(C2=C(C=C1)C=CC=C2)Br)CC3(CCC3)NCC4,233392EC5F62F571_00FA33B2F9AC491A_7017_UN,8.982516,00000000000100000000000000000000110000000000001000010001001111001011000001010001011000111011001000101110111100011000011011101100111000101110001011011011010010110111110,IUOKYECIPWHBIB-UHFFFAOYSA-N
+O=[N](=O)C2=C1OCCC1=CC(=C2)NC4=C3N=CC=CC3=C([S](C)(=O)=O)C=C4,51B46661EE0EBB7D_B7B7E0D32E7ED1AF_6041_UN,8.982263,00000000000000000000000010000000000000000000000001010001111111011101001101000001110100001101011110100110010001001100001111101100001011011100101011111001110011111111110,GUSFOSUGONTHGC-UHFFFAOYSA-N
+CC(C)[C@H]1[C@H](CCN1)OC2=CC=CC3=C2NC(C)CC3,E693E3B6F692136D_78805950CB2054E6_6035_UN,8.982231,00000000000000000000000000000000000000000000000000000000000000000000000000100000001100000011000111101100110010010101101011000011000110010100011111010111110011101111110,NJPRWTALKNYBOV-KZMQIFKDSA-N
+C3=NC1=C(C2=C(S1)CC(C)CC2)C(=C3CCC4CC4)C5=CC(=CC=C5)C,C3F0F42D79C26083_71DD8B515F0B1AAF_2201_UN,8.982214,00000000000000000000001000000000000010000000000100000000000000100100000000000000010100001000000010100100010000000001101011000100110000000100000011010110000110001111010,JOMOLEOMXIYXBD-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C)Cl,56FAF5B76359798D_16FB4333C14FD3EE_6026_UN,8.98172,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111000011000000011001100001100010000101111001001111000011111101111100011111111110,MOXKJMGIXZMBCV-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C)F,E045DFF9CF0AA685_90D81BB1C50C9DD0_6026_UN,8.981715,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,QFMHYSAHQXIIMC-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C)Br,5F4811C692B949BB_28744FA3369879DF_6026_UN,8.98171,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,VYLCHCHMSKDNAX-UHFFFAOYSA-N
+O([C@@H]1COC[C@H]1N2CCOCC2)CC4COC3=C(C=CC=C3)O4,7AB97420A5C4EFCC_DC8054AC538F5375_6039_UN,8.981633,00000000000000000000000000000000000000000000000000000000010000100000000010010000000101100100000111101100010001010100001011100011110011000110100111111010110111110111110,XPOBJKJBOCTRCF-DTLKIFBZSA-N
+NC1=CC(=CC(=C1)C(=O)OC[C@H]3C[C@@H]2NC[C@@H]2C3)C(F)(F)F,0A62E4E34567BA6D_2F799F6447D0ACE7_6031_UN,8.98155,00000000100100000001000000000000000000000010000000000000000000000000000000000000001010000011000010001000111101011000000001010010110101110110001000000001011111110111110,ICAZTCNVUQIQHT-DVYJOKAKSA-N
+COC2=C1CN(CC1=CC=C2)[S](=O)(=O)C4=C3C=CN=CC3=CC=C4,0DAF7B838FC061A3_9E782FD2ED6686E3_7015_UN,8.981227,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100101000011011101110011010001100010011101111011000001110001111101000110011111111110,JMBJHYYWAKFNDA-UHFFFAOYSA-N
+CCC1=CC(=C(C(=C1)F)[N](=O)=O)NC2=CC3=C(N=C2)OCC3,6ADFB0B858992A95_4C28AAB16C27D81E_6041_UN,8.980769,00000000000000000000000010000000000000000010000001000000110000010100001100000001000100010001101011100110010101100110011111101100001011110100001011111011010111111111110,OPCBKVJZPXDKMN-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C(=C2)N)CC3=CC(=CC(=C3[N](=O)=O)N)F,FD1F8B955521ED3F_80764475F66FD224_6034_UN,8.979734,00000000000000000000000010000000000000100010000001000000100000010100001100010101100111010011011011001110010100000100000101101111001101110100001111101011110111111111110,MEZHDQFMGOCMIL-UHFFFAOYSA-N
+NC(=O)C4=CC1=C(C(=CC=C1)NC(=O)C3=CN2C(=NCC2)C=C3)[NH]4,0B91CFDBF7F6EBD6_414ABACF1F99B463_6038_UN,8.97955,00000000000000000000000000000000000000100000010000100010000000000100000000001111100111000000100111111100010000110000011111100100000101011110001001011001011010110111110,HXKDAUAMZKPURR-UHFFFAOYSA-N
+CC2(C)C(OC1=C(C=C(C=C1)OC(F)(F)F)F)[C@@H]3CCN[C@H]23,0C3598FF78ABC3DE_BB7AC620F7448A44_6035_UN,8.979115,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100010011000011001000111110011100001001000011000000100100000110010111110011111111110,KYZAJCHLLSDUFG-QDIMTWPYSA-N
+COC1=C(C=C(C(=C1)C)Br)[S](=O)(=O)NC3=C2C=NC=CC2=C(N(C)C)C=C3,64C2FC456E635E44_43D9B7D2C2AE1AEA_6026_UN,8.978887,00000000000000000000000000000000110000000000001000010001001111001101010001100000110001111100011001100110011100001100010001101111001001111100011111101111100011111111110,JIEUXYVKIRLXON-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)OCCC2)[S](C4=CC=C3C=CN=CC3=C4F)(=O)=O,2BC58DE5D0FD5D37_6508CC9B0FD6175D_6029_UN,8.978455,00000000000000000000000000000000110000000010000000010001011111001101010001000000011000011000001000101110011101001100011011001100101010101110001011111011110111110111110,MPVTWRCMSJIOAI-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CCC(C)S)C3CCNCC3,8CC4B3965E1630B7_8CFA9415526A007E_6034_UN,8.977269,00000000000000000000000000000000000000000010000000000000000000100100000000010000011101111011000010101100110100010001101011100100110100100110001001011001010110101111010,LNYBXPWOYJMKRC-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NC3=C(OCCN(C)C)C=C(C=C3)C,A61626F82E1B9579_1051BA75F3DE3ED7_6026_UN,8.976985,00000000000000000000000000000000110000000000000000010001001111001101010001110000010101101001011110001110011001011101111001101111001011011110011111111111110111111111110,JRKKGMZSXDSTMU-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)SC)N[S](C2=C(C=CC(=C2)N(C)C)C)(=O)=O,FBD64319C4F52D49_4547B2B0C1CE2148_6029_UN,8.976839,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011100000010001000001100010000101111001001011000011111101111100011111111110,UCCYWCTWIOXUQD-UHFFFAOYSA-N
+N2CC[N]1N=CC(=C1C2)OC(=O)C4=C3C=C[NH]C3=CC=C4,B30E1D8F99FEAC32_F179BFB9CC29A1EB_6038_DP,8.976827,00000000000000000000000000000000000000000000000000001000000000000100000000000001101100100001001111101100110000010100001011111111110100000110001111011001111011110111110,OCCLVEAODBQBSI-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=CC2=C(CCN2C)C=C3,119D5F1CC7464DD8_CEB9C1CA020068A3_7022_UN,8.976334,00000000000000000000000010000000000000000000000001000000100000010000001100010000100101100001011110001110010011010111101101101111001001010110001111111111110111111111110,WRFXCWXJMKWGDY-UHFFFAOYSA-N
+C1(=C(C=CC(=C1F)F)Cl)NC2=NC=CC(=C2)CN(C)C,7161F491426666C3_CB272A3D3FB2C8B6_7022_UN,8.9753475,00000000000000000000000000000000000000100010000000000000000000000100000000100100000001110001010000101001000100000001000001100100000001110100001011001111010110101111010,IRLDDWQEVZAPRX-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)COC3=C2CCNCC2=C(C=C3)[N](=O)=O)CC=C,236A9A1AD6C35633_7E8C5CC836C7377D_6003_DP,8.975004,00000000000000000000000010000000001000000000000001000000100000010000001100000000101000100001011000111110110011010100001101101111111001010110101111111011110111111111110,HFMLFGHWPSQWSK-UHFFFAOYSA-N
+O(C[C@@]12[C@@](C1)(CNC2)C(F)(F)F)C3=C(C#N)OC4=C3C=CC=C4,CF23C5CEE187465A_FEC7DB14DB573041_6035_UN,8.974512,00000000000000000000001000000000000000000110000000000000010000000010000010000000001100100111000111101100011101001100000011000111110000100110001111000011110101110111110,NNMYZVANWJOVGU-HUUCEWRRSA-N
+C2(=C1C=CN=CC1=NC=C2C#N)NC4=C(C=C3OCCOC3=C4)S,9FF0D341DB406ABB_9D1DB4FB7D9CC8AD_6041_UN,8.974157,00000000000000000000000000000000000000000100000000000010010100001100000010000001110000001000000001100100010001000100001011000100000111010110001011010011110011110111110,OAHVMWOIUDFSNZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2)NC3=CC5=C(C=C3)N=C4CCCCN4C5=O,755E36322F0D64D0_54C9EEE03B045822_6041_UN,8.973756,00000000000000000000000000000000000000100000000000000000010000000100000000000100100001000001100001101100010001110100011011100101110011010110001111011001111011110111110,RMXLXNNXGYGBPS-UHFFFAOYSA-N
+COCCC1=CC(=C(C=C1)OC2=CC(=C(C(=C2)[N](=O)=O)C#N)Cl)Cl,B9B54C4EF322015D_7FBF7AB2622EE6FD_6003_UN,8.9730215,00000000000000000000000010000000000000000100000001000000100000010000001100000000100000110000011001000011000101000101101100101111001011110000101111111010110111111111110,BSICVBKBFNJVJW-UHFFFAOYSA-N
+COCCC1=CC(=C(C=C1)OC2=CC(=C(C(=C2)[N](=O)=O)C#N)F)Cl,3CFF14E275496587_051B5C26991209ED_6003_UN,8.973016,00000000000000000000000010000000000000000110000001000000100000010000001100000000100000110000011001000011000101000101101100101111001011110000101111111010110111111111110,AYDNHBFEJVHCDC-UHFFFAOYSA-N
+O(C[C@@]12[C@@](C1)(CNC2)C(F)(F)F)C3=C(C=CC=C3)C#N,5867EC719C7AAFF3_F1C19679552CF10A_6035_UN,8.972524,00000000000000000000001000000000000000000110000000000000000000000010000000000000001100100011000011101000011101001100000001000011110000100110001111000011110101100111110,DCRGTXLLSMEFGH-CHWSQXEVSA-N
+CSCC1=CN=C(C=C1)NC2=CC3=C(C=C2)CN(C)CCN3C,C3A083D7BD0D943F_9D371B1F5C0DB5A2_6041_UN,8.972286,00000000000000000001000000000000000000100000000000000000000000000100000000010101100001101000010000101100010010010001101011100100110001010110011011011101010110101111010,TXKCRFBUVFKALL-UHFFFAOYSA-N
+COC1=CC2=C(C(=C1)OC)N(CCC2)[S](C3=CC4=C(C=C3)[NH]C=C4)(=O)=O,7047ED77348DD9B9_64852CBE0EF85409_6029_UN,8.972083,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100001100011110101110011000011100011011101111101000011100101111111101110011111111110,KROWNCDYUPOQJK-UHFFFAOYSA-N
+N4([S](=O)(=O)C2=C1C=CC=CC1=C(C=C2)Cl)CCC3(CNC3)CC4,D5496B2C40BB87DA_FA0B168C1D23BA1E_7017_UN,8.972025,00000000100100000000000000000000110000000000000000010001001111001011000001010000011000111011001000101111011100011000011011101100111000101110001001011001010010110111110,MNUOEVGBXXVPQJ-UHFFFAOYSA-N
+C1(=NC(=CC=C1)OC2CCC2)NC3=C(SC)C=CC(=C3)C#N,564FA320BB989ECD_68B2B9D3C20DA4EF_6041_UN,8.971914,00000000000100000000000000000000000000100100000000000000000100001100000000000100010000001000110001100000000000100100011001000111000011010100001111010011100011101111110,DKEPJXIJCCKLES-UHFFFAOYSA-N
+CCN4CC1=C(C(=CC=C1)NC(C2=CC3=C(C=C2)CNCC3)=O)C4,13C0F7B468ECF8EE_8F7414CD7A9B97FB_6038_DP,8.971255,00000000000000000000000000000000000000000000000000000000000000000000000000010000101101100011100010101100110000110010111011100100110101010110001011011001011110101111110,SKAOGOPSUKASNZ-UHFFFAOYSA-N
+N(CCC1=C(C=NC=C1)F)C(=O)C3=CN2C(=NCC2)C=C3,72FCC2ACA1B78BA4_564A32FD1F73AE14_6038_UN,8.971172,00000000000000000000000000000000000000100010010000100000000000000100000000001111101101010000100011111100110100110000011111100000000000100110001011011011011110100111110,ZGBJMPJGQBHPNR-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=C[N]2CC3NCCNC3)CC#N,D6341B4B9B95CFE7_F8A4E5E526B6F302_6034_DP,8.97087,00000000000000000000000000000000000000000110000000000010000000000100000000010001101101110011000010101100110100010000001011100100110100100110001001011001010110100111010,NMVPGDAVVGXKIX-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)C(=CN2CC3NCCNC3)CC#N,4EE1403B5DE5C670_BDD8DAF1C80DBE5E_6034_UN,8.970866,00000000000000000000000000000000000000000100000000000010000000000100000000010001101101110011000010101101110100010000001011100100110100100110001001011001010110100111010,LSWDOJGPNWJJBG-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)C(=C[N]2CC3NCCNC3)CC#N,F81B337AC3121F7E_3A0B4648A388F041_6034_DP,8.970855,00000000000000000000000000000000000000000100001000000010000000000100000000010001101101110011000010101100110100010000001011100100110100100110001001011001010110100111010,JEYDSATWNROWNI-UHFFFAOYSA-N
+O(CC1(CNCCC1)C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F,4B4DCA8579C3919B_94A4FA35D79C812A_6035_UN,8.97078,00000000000000000000000000000000000000000010000000000000000000100010000000000000001000110011000001101000100101011100001001000111110000100110000111010011110101100111110,FSLCDYUQHGXNTJ-UHFFFAOYSA-N
+O(CC1(CNCCC1)C2=CC=CC=C2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl,D0960A2EABC93340_731C2C943667AB36_6035_UN,8.970775,00000000000000000000000000000000000000000000000000000000000000100010000000000000001000110011000001101001100101011100001001000111110000100110000111010011110101100111110,NRSHDUROHZAMGE-UHFFFAOYSA-N
+N3CC(OC1=C(C(=C(C(=C1F)F)F)F)F)(CNCC2=CC=CC=C2)C3,BBDB7C01C66DECCA_12FBA6987EE88CE8_6035_DP,8.9705715,00000000100100000000000000000000000000000010000000000100000000000010000000000000101000110010000100001000000100001100000001000111100110100110001111000011110101100111110,ICZOOJMHSGSNPD-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C(N=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,E9499CFEA6B39A00_A4F741F4924DC5DE_6041_UN,8.970559,00000000000000000000100000000010000000100010000000000000000000000100000000100100000000110000010000100110010101001000100001001110000001110100011001001101010111101111110,KYXOGJRULYPTHZ-UHFFFAOYSA-N
+N3CC(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)(CNCC2=CC=CC=C2)C3,6266346C26518F53_F54370399F13A6F4_6035_DP,8.970526,00000000100100000000000000000000000000000000000000000100000000000010000000000000101000110010000100001001000100001100000001000111100110100110001111000011110101100111110,GTVYCVGXDUXXIK-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NC2=C(C(=C(OC)C=C2C)C)C,0862D946E4547D99_F2EE6D9B9D363D1D_6041_UN,8.970463,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000000000011100100010000000000100000101101111001001010100111111101111100011111111110,ZYDNLOAFCFXOQA-UHFFFAOYSA-N
+CC1=CN(C(=O)N1C2=CC=C(C=C2)C)C[C@@H]3CNC[C@H]3C(F)(F)F,1AAE7EC723E27620_87FDFDB2F2611845_6034_UN,8.9703865,00000000000000000000000000000000000001000010000000000000000000100100000000010101101101100011000010001000001110101100010011100101110001110110001110001111011110101111110,XDTUDMJCLITDRK-DZGCQCFKSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC=C(OC(CC)C)C=C2,E15598596DB9250C_4E65E84F5CECE893_6035_UN,8.969748,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100010000101101000001101001111000011000011100010100110000101100101110101111111110,DGRZVYLGRTYHAW-UHFFFAOYSA-N
+N2CCN(CC(C)(C)OCC#CC1=CC=CC=C1)CC2,50B99CCA9170AD49_5D3B27FF9560205F_6039_DP,8.969246,00000000000000000100000000000000000000000000000000000000000000000010000000110001001001100001000100101000100011011001101011100010110010000110001001011101110101101111110,KDISIKYDTJNPLV-UHFFFAOYSA-N
+C2(=C1OCCCC(C1=CC=C2)=O)NC3=CC=C(CCSC)C=C3,8FB45188D72A5362_F655D105088D3B65_6041_UN,8.968813,00000000000000000001000000000000000000000000000000000000010000000000000000000000000000101101010100000100010001000101101000000101000011010110000111010001111111111111110,UAJDZQISDVKRTK-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)NC4=CC(=C(N(C)C)C(=C4)F)F,B819B24CAC99EE0C_F955AA80AC5139F4_6041_DP,8.968669,00000000000000000000000001000000000000100010000000000000000000100100000000110100101101110011010010101100111100010000001011100100110101110110001011011111010010101111010,MJLKTPDDTHFKRZ-OLZOCXBDSA-N
+O[C@@H]3C[C@H](OC1=C(C2=C(C=C1)N=CC=C2)Br)C34CCOCC4,632CAD766A03866B_92EFC17F0B4FCB35_6035_DP,8.967851,00000000000100000000000000000000000000000000001000000000010000000110000000000000000000110111000000100100110101001100001011000111110010100111000111110010110011010111110,BALWYEIORQELFF-CABCVRRESA-N
+O(CCN2C(=O)NC1=C(C=CC=C1)C2=O)C4=CC3=C(C=C(N)C=C3)C=C4,7E41FB3414D93DF0_E34932CBDECF2BD6_6035_UN,8.967783,00000000000000000000000000000000000001000000000000000000000000000100000000010100100011000111100101101100011001110100011011100111000111011110001111111011111111110111110,LRQLRMMEONFOHD-UHFFFAOYSA-N
+N2C[C@@H](COC1=C(OCC)C=C(C=C1)C#N)[C@@H](C2)C(F)(F)F,43729A81CE340ED4_196717BF7CBC70C1_6035_DP,8.967688,00000000000000000000000000000000000000000110000000000000000000000000000010000000001100100011000011001000001101001110000001000011110000100110001110000011110101111111110,YXULVHYRUCGQGT-NWDGAFQWSA-N
+CC1=CC(=CS1)[S](=O)(=O)NC3=CC2=C(CCN2C)C=C3,C057D159BE22A854_4284E1E211F78B1D_6026_UN,8.967614,00000000000000000000000000000000110010000000000000010001001111001001010001010000110101101000011010001110011010011001111011101100001001011100001010011101010010111111110,NFOVZVNHXVYDDH-UHFFFAOYSA-N
+OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)NCC3(COCCNC3)F)F,96020A3853A52855_F590E40F17FEAD5B_6041_DP,8.967283,00000000000000000001000000000000000000000010000000000110010000000110000000000000101100110011000111001100110101011000001011010100110111110111001010110011011111110111110,YRUVBKFDTWFTAK-UHFFFAOYSA-N
+COC[C@H]1NC[C@@H](C1)OC2=C(C=C(C=C2)CN3CCNCC3)Cl,98119D50F517853C_9416CF31F8157BAB_6035_UN,8.967269,00000000000000000000000000000000000000000000000000000000000000000000000000010001001101110011010111101001100111010101001011100011110110100110001111011011110111111111110,ZENHCVUONIFXCV-LSDHHAIUSA-N
+N5CCOC1=C(C=CC(=C1)OC(=O)C2=C3[N](C=N2)C4=C(OC3)C=CC=C4)C5,243153A6E2A54B6E_3785C11265F06E9E_6038_DP,8.96696,00000000000000000001000000000000000000000000000000000000010000000100000000000101001101100100000111101100110001010100001011110111110010010110101111111001111011110111110,AVXORRPNRLPQCZ-UHFFFAOYSA-N
+N2CCCN(CCOCC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1)CC2,3414E3DFC5B0DE8F_50C6A3060394E68A_6039_DP,8.966833,00000000000000000001100000000010000000000000000000000000000000000010000000110001101001100011010100001010100011011000101011101010110010000110011000011101010101111111110,OWHMRESYEFRPRX-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)[N](=O)=O)NC2=CC=C(CCSC)C=C2,CA350F05CF13EEAE_C2FD78AE538F5E47_6041_UN,8.966444,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000101000011000000010000000000001101100101100001001010000001011011111010110111111110,ARIIMSOKPQZRMU-UHFFFAOYSA-N
+FC2=C1C=CC=NC1=CC=C2N[C@H]3[C@@H](CCCC3)OC4=C(C=CC=C4)F,952FDB8B7CB29BE1_4905BF49C4B5BB21_6041_UN,8.966274,00000000000000000000000000000000000000000010000000000000000000000100000000000000000000010011000100100100110100010100001001000111110011110100001111010011100011100111110,VQRCSJXEGYVMPQ-YLJYHZDGSA-N
+CC1=C(C4=C(N1CC2=C(OC=N2)C3CC3)C=CC=C4)C5=CCNCC5,91C62E3C36F973DE_B41767AE37A8F2C6_6034_UN,8.965544,00000000000000000000001000000000000000000000000000100000010000100100000000011001001101100001000111111100110010110000111011100100110000000110001011011011110110101111110,ABSITKIHPSWRQD-UHFFFAOYSA-N
+CC2=CC1=C(C=CC(=C1)Cl)C(=O)N2CC3CNCCCN3,906A6315AFC728D3_5155227D02CBC574_6034_DP,8.9651785,00000000000000000001000000000000000000000000000000000110000000000100000000010001101001110011100000101101110100110100111011100101110100100110001111011011011110101111110,QZQVMSONPNRBBZ-UHFFFAOYSA-N
+C[N]1C=CC2=C1N=CC(=C2)NC3=C(C=C(OC)C=C3)[N](=O)=O,39714836054EA8B0_0BF5C8C2FCFBFB20_6041_UN,8.965164,00000000000000000000000010000000000000100000000001000000100000010100001100010101000101000000011011100110010000000100000111101111001001010100001111101111100011111111110,HGODWLROTNNSHP-UHFFFAOYSA-N
+O([C@H]1[C@@H](NCCC1)C(F)(F)F)C2=CC(=C(C=C2)C(F)(F)F)C#N,B87077251E9F82CD_33292BABBD09ACA8_6035_UN,8.965162,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000000011000100101000101100011100001001000011100010100100001111010011110011100111110,WFBUNPBSZZQFGP-VXGBXAGGSA-N
+C1(=NC(=NS1)CC2CC2)NC3C4=C(CCC3C(C)C)C=CC=C4,D2F3A110DD6940F7_8CE627086A0944C8_6041_UN,8.964577,00000000000000000000001000000000110010100000000100000000000000000101000000100101110100001011001010000100011010010000101011001100010001010100001011010111000110101111010,UMNVRFCGJZTHRX-UHFFFAOYSA-N
+COC[C@H]1NC[C@H](C1)OC3=CC=C(OC2=CC=C(C)C=C2)C=C3,F0DA20AEBFD976C9_B970DA35DAC230B6_6035_UN,8.964471,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100011010111001000100011010101000001000111110010000110000101100101110111111111110,LNEUMHKTXXVODP-KXBFYZLASA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4=C(Cl)N=C(Cl)[N]4C5=CC=CC=C5,1EC5DD7BB10EA5DF_5131C7DAF02CD3CC_6034_UN,8.963745,00000000000000000000000000000000000000000000000000000000000000100100000000010101101101110011000010101101111100010000001011100100110001110110001011011011010110100111010,LYWOPGIKHOXVSH-UHFFFAOYSA-N
+N4C[C@@H]1COC[C@]1(C=CC2=CC=CC(=C2F)C3CC3)C4,6E62152274255253_2AAFC1F61B357EF9_7019_DP,8.963355,00000000000000000000001000000000000000000010000000000000010000100010000000000000001100110011000011011100010101001000000011000000110000100110000010010011010001100111110,CTTVRRUOAHATEO-PBHICJAKSA-N
+CC(C)OC1=CC(=CC=C1)C(C)OCC2OCCNC2,55AF96B8B6C61FBA_5F42CF6E5ED50215_6039_DP,8.962605,00000000000000000000000000000000000000000000000000000000010000000000000010100000001000100011000101101000100001010100101011000011110010000110010101110101110101111111110,BYQYXHYLUKLOQU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NCC3(OC)CCSC3,9FFBEE36CB0A5271_F0B0C90C49D528A5_6041_UN,8.961977,00000000000000000000000000000000000010000100000000000100000000000110000000000000101100101011010110001100010010011000101011000111110111010110001100010001110111101111110,UQWCUOUXASXKAL-UHFFFAOYSA-N
+O(CC2=CC1=C(C=CC(=C1)F)[NH]2)C3=C(C=C(C)C=C3)[N](=O)=O,D11172931D26BCB6_D19DF802121D7DCA_6035_UN,8.961821,00000000000000000000000010000000000000000010000001000000100000010100001100000000000100010100001110000110110101010100000101101111001001110100001111101011110111111111110,QGWOJVRGDUSXHR-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)OCC2)NC4C3=C(C=C(OC)C=C3)OCC4,62F5E37AAF4AF74D_3320779AA02C6AB4_6026_UN,8.9609165,00000000000000000000000000000000110000000000000000010001011111001001010001000000010100001110011011100110111001011100011010001111001011001110100111111001110011111111110,PWOGNJNEUMCOPY-UHFFFAOYSA-N
+C[Si](C)(C)COC1=CC=CC(=C1)N(C2=CC=C(C)C=C2)CC3=NCCN3,E25C626F70734BB5_41B3128EDE4BD71F_6035_UN,8.96041,00000000000000000000100000001010000000100000000000000000000000000000000000100111001101100011010011001000100001011101001111100111110001010110011101011101110111101111110,AFSRJQGVJDFOCP-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC2=CC3=C(C=C2)C=CC(=C3)CC#N)C=CC=C4)C5CCNCC5,9F5A464F8E4CA8F6_676F0377B410E006_6034_UN,8.959719,00000000000000000000000000000000000000000100000000000000000000100100000000010000001101100001000010101100110010010000101011100100110000000110001011011011010110101111010,VHIYEEHYVNWQTN-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)F)CCNCC3=CC(=CS3)Br,C55E2103459A7C4F_18DAEF62D1473663_6034_UN,8.959478,00000000000000000000000000000000000010000010001000000000000000000100000000010001011111111000000010001100110100010000001011100100110100100110001000011001010110100111010,ZRWRGKRXFFGWHM-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Cl)CCNCC3=CC(=CS3)Br,E89D5528A6544BC9_4D33220CFD12512A_6034_UN,8.959471,00000000000000000000000000000000000010000000001000000000000000000100000000010001011111111000000010001101110100010000001011100100110100100110001000011001010110100111010,ITUKJCPKVOAMJW-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Br)CCNCC3=CC(=CS3)Br,A771B06F6201353B_658BFC951C533656_6034_UN,8.959459,00000000000000000000000000000000000010000000001000000000000000000100000000010001011111111000000010001100110100010000001011100100110100100110001000011001010110100111010,HKYJPBAMGIXXEG-UHFFFAOYSA-N
+FC(F)(F)OC1=CC=C(C=C1)C#CC=CC2C3(CCNC2)CCOCC3,E962288EE6EEEA89_995D8F97FCD703BE_7019_DP,8.958695,00000000000000000100000000000000000000000010000000000000010000000010000000000000001000100001000000111000111101011100001011000011110010100110000101010001110001110111110,WHLYPPLYYMEUPW-UHFFFAOYSA-N
+C[C@@H]2C[C@H](OC1=C(CN)C=C(C=C1)C(F)(F)F)CNC2,26B41054A3CE87A9_8EE175B1699A4720_6035_DP,8.958621,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010100010000101101000001110001101000001000011100110100110001111000011110101101111110,WAQVPYHDXDUEDI-SKDRFNHKSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)N5CC4=C(C=C(C#N)C=C4)CC5,D50271298C8A4CE1_246F50BA32504038_6026_UN,8.958209,00000000000000000000000000000000110000000100000000010001001111001101000001010000010101101000011010101110011000011000011011101100111000001110001011011000010010111111110,DMQNULOJBTUPMB-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N4CCOC3=C(C=C(C)C=C3)C4,10F679E6A7DACB73_14094437CBE327F1_6026_DP,8.958136,00000000000000000001000000000000110000000000000000010001011111001101000001010000110100101000011111001110011011011100011011101111111010001110101111111101110011111111110,PICKSZZFEJMBIY-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OCCC2)[S](C4=CC3=C(Cl)C=CN=C3C(=C4)Cl)(=O)=O,E71D6BC6B5B5B8D2_329E9B783B8DB041_6029_UN,8.958016,00000000000000000000000000000000110000000000000000010001011111001101010001000000010000011001001000100111011101001100011011001100101011111100001011111001110011110111110,KEQSTGCYBVZLKA-UHFFFAOYSA-N
+FC2=C1C=CN=C(C1=CC=C2)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,AE5CC2A7C95C010B_31BB35B024350F80_6041_UN,8.958,00000000000000000000000010000000000000100010000001000000100000010100001100000100001000010100011100101110110100010100001101101111001001110100001111111011110111111111110,NGADWYJQVVRRHH-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)C#N)NCC2=CC(=CS2)COC,3CE5654039509DDB_67D048984A4B584F_6041_UN,8.957754,00000000000000000000000000000000000010000100000000000000000100001000000000000000111100101000010010001000000001000001000000000110100001010110001010000111010111101111110,JBRABAONDXEOMU-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C4=CC3=C(C=C(C)S3)C=C4)(=O)=O,933E2894FC8AFE43_CCFA02FC2F68C538_6029_UN,8.957553,00000000000000000000000000000000110010000100000000010001001111001101010001000001010100001000001010100110011000001000010011001100001001011100001001001001000010111111110,XQGIATNSZWOXQD-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC4C3(CNC3)SCC4,69FBF918E032C0FA_C075465D444DC0ED_7022_DP,8.956952,00000000100100000000000000000000000010000000000000000100000000000010000000000000111100111011000010001101110100011000001011000100110101110110001011010011010010100111010,TVUPTOHNAZAXIF-UHFFFAOYSA-N
+N4CC(CNC(=O)C2=CC1=C(C=CC=C1F)[NH]2)C3=C(C=CC=C3)C4,042E5A47C002C38F_57346037F243FA05_6038_DP,8.956038,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100110011100110101100010100100000010011000100100100100110001011000001011110100111110,LTUHGKUWIKCABX-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SC=C2)NCC3=CC(=C(C=C3)F)CN(C)C,9A9CAB2D5059911A_DA89C05306434CDE_6041_UN,8.955895,00000000000000000000000000000000000010000010000000000000000000000000000000100000011101111000010010001100010100000001000000100100100001110110001011001111010110101111010,DUIDHCWCDRZNJD-UHFFFAOYSA-N
+N3CCC1(CC1(COCC2=C(C=C(OC)C=C2)F)C#N)CC3,E12EA8CE521361C2_909CB6A19D0F824B_6039_DP,8.955696,00000000000000000000001000000000000000000110000000000000000000000010000000000000001000110001010001101000110101011100001001000011110000100110001111010011110101111111110,NVAZUBBGOSIGDI-UHFFFAOYSA-N
+O(C(=O)C1=CC=C(C=C1)N3CCC2=C(C=CC=C2)C3)CCNCCN,AE0CA792BEB39059_C9E684F9AD7603FF_6031_DP,8.955309,00000000000000000000000000000000000000000000000000000010000000100000000000010001001011100001000100101100110001010000001001110110110111010110001011011001011111110111110,IBWPKEDOZPXCHA-UHFFFAOYSA-N
+CN(C)C1=CC=C(C=C1)[S](=O)(=O)NCC2=CC(=CS2)C3=CC=C(OC)C=C3,0424838E1E629794_3FB45BFA37A7DB4C_6026_UN,8.95524,00000000000000000000000000000000110010000000000000010001001111101001010001100000011101101000011010001010001000001100010000101111001001011100011101101101110111111111110,YGBCDGYUMRUGLK-UHFFFAOYSA-N
+N4CC(CNC(=O)C2=CC1=C(C(=CC=C1F)F)[NH]2)C3=C(C=CC=C3)C4,A0B0CA62D7FE5147_55A24395EC3488FA_6038_DP,8.954603,00000000000000000000000000000000000000000010000000000110000000000100000000000001101100110011100110101100010100100000010011000100100100100110001011000001011110100111110,MZRSXHRQKKMDQZ-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=CC=C(C=C1)C2NCCNC2)[C@H]4CCCN[C@@H]34,28F31A2BE9A6E393_D14DA90336A54792_6035_UN,8.954086,00000000000100000000000000000000000000000000000000000010000000100010000000100001001000100011000001101100110010011100001011000011110100000110001101010111110011101111110,XABSYVQOOVVFEY-WOPUZOFWSA-N
+CC(C)(OC1=CC(=CC(=C1)Br)C(F)(F)F)[C@@H]2NCCC2,747C14F4E025CFBC_E089866B4A5E3CBE_6035_UN,8.953847,00000000000000000000000000000000000000000010001000000000000000000010000000100000001100010011000110001000101110011100101001000011010000100100000100010101110011101111110,LFWKECXTFBYTFW-GFCCVEGCSA-N
+CC(C)(OC1=CC(=CC(=C1)I)C(F)(F)F)[C@@H]2NCCC2,ECC8B535C4D538D0_39412D1C2CC4830E_6035_UN,8.953845,00000000000000000000000000010000000000000010000000000000000000000010000000100000001100010011000110001000101110011100101001000011010000100100000100010101110011101111110,DDTUHLSUWOYSKR-GFCCVEGCSA-N
+CC(OC1=N[N](C)C2=C1CCNC2)C4=C3OCOC3=CC=C4,9287610D2BDB803B_53D529488EBE2EBF_6035_UN,8.953597,00000000000000000000000000001000000000000000000000001000010000000100000010010001101100100101111111101100110011110100111011111111110000000110001111111101110011111111110,CVSFGGCBTSIUEM-UHFFFAOYSA-N
+C2(=C1C(=C[NH]C1=CC=C2)CC#N)NC3=CC(=C(C=C3)F)N4CC[S](=O)(=O)CC4,18001488868A7235_7FCE75B72167A780_6041_UN,8.95187,00000000000000000000000000000000000010000110000000010101001011100101000001010000100101111011000011101110010100011000001011101101111111111110001111011011010110110111110,UUVRDWGPQODTIO-UHFFFAOYSA-N
+CC1=CC=C(C)N1CCNC2=C(OC)C=C(C=C2)[N](=O)=O,39A0CAB8BE2E6568_F3A0DA519A33654B_6034_UN,8.951359,00000000000000000000000010000000000000000000000001000000100000010100001100010001001101000000011111001010100010010100101101101111001001010110011110111111110111111111110,AYEFJSYZKVEMNZ-UHFFFAOYSA-N
+C(C1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)N4CC3(CNC3)C[S]4(=O)=O,883F85B82AFFFCBA_0A75F701A6696D49_6036_DP,8.950732,00000000100100000000000000000000110010000000000000010001001011000111000001010000111100111010101010101011011100111100010011101111111010101110001101101011110111110111110,IRARQRRAXJXSQS-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=NC=C2NC3=CC5=C(C=C3)OC4(CCCCC4)O5,E0E7CF6611FB5FFE_88CC232B104DC7E9_6041_UN,8.950502,00000000000000000000000000000000000000000010000000000000010000000100000010000001000100010000000011100100010100001100001011010100110011110100001011010001100011110111110,CEWILMGOXHQJMY-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)N5CCC4=C(C=C(OC)C=C4)C5,B659546A745EBE4D_1D1F6ACD619E34E6_6026_UN,8.950418,00000000000000000000000000000000110000000000000000010001001111001101000001010000010101101000011010101110011000011100011011101111111000001110001111111100110011111111110,UTIHRJNWPKSFEW-UHFFFAOYSA-N
+FC(F)(F)C1=CC2=C(C=C1)C=C[N]2CC45OC3(CCNCC3)C(C4)(N)C5,673341E5C07C9ABD_AD86EB747E7E76B7_6034_DP,8.950375,00000000000100000000000000000000000000000010000000000000010000000110000000010000001111100011000111101100111100011000001011100100110111100110001001011001110111100111110,VOVJCHIQUHRSIM-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC3=CC2=CC=NC(=C2C=C3)N(C)C,1D9DF1EFDC6E5C77_C7D4D2422996093C_6026_UN,8.950264,00000000000000000000000000000000110000100000000000010001001111001101010001100100010001101000011000100110011001001001010001101110001001011100011001101101010111111111110,PULSGCNPPHDAKE-UHFFFAOYSA-N
+CC(C)C1(CNCC1)OC2=C(N)C=C(C=C2)C(F)(F)F,3399F0EA265A5F92_E747056EBDA82EFF_6035_UN,8.949954,00000000000000000000000000000000000000000010000000000000000000000010000000100000001110100011000111001000101110011100101001000011010111110110001110010111110011101111110,ZLSGEISCYAHINM-UHFFFAOYSA-N
+O([C@@H]2CC[C@@H]1CCCN[C@@H]1C2)C3=N[N](C(=C3)N)C4=C(C=C(C=C4)F)F,1E20CE0E6ECB8E48_EBA864B08FA057AB_6035_UN,8.949498,00000000000000000000000000000000000000100010000000001000000000100100000000010101101110010011101111101100110100110100011011101111110111110100001111011011110011100111110,GLKNSYSCHAUQOM-NJZAAPMLSA-N
+COCC(OCC1=COC(=N1)C2=CC=C(OC)C=C2)CN3CCSC(C)(C)C3,9D1888C17623DF0D_397D799572D613E7_6039_UN,8.949382,00000000000000000000000000000000000010000000000000000000010000100110000010110000010101101100110111101000000011111101111011100111110010000110111101111100110111111111110,YLONSZROZOBPQY-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(N(C)C)C=CC=C2Br)C,543F27A472C7AD5E_6E6976B96A41E205_6026_UN,8.948983,00000000000000000000000000000000110000000000001000010001001111001001010001100001010001111000011000000010001111001110010000101111001001111000011111101111110111111111110,XHJCUWCNQXNOSI-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)C(C3=C(SC)C=CC(=C3)[N](=O)=O)=O,8F54D889B401F264_29A170342E3993D8_6038_UN,8.948913,00000000000000000000000010000000000000000100000001000000100100011100001100000001010000001000111000100110010000100000010101101100001001011100001011101011001010111111110,NJADJPZQTQBTKU-UHFFFAOYSA-N
+N4CC1(CCC1OC3=C2C=CC=CC2=C(N)C=C3Cl)C4,BCDC8D6875093949_32ADACF8D230AA33_6035_DP,8.948893,00000000100100000000000000000000000000000000000000000000000000000010000000000000001010110011000001001101010100001100001001000111110111110110001111010011110011100111110,YPGIDVOGVIQDOH-UHFFFAOYSA-N
+CC1CNCCC2=C1C=C(C=C2)OCC3=C([N](=O)=O)C=CC=C3F,B72B824A393E8795_FBC3578921090FC0_6039_DP,8.948704,00000000000000000001000010000000000000000010000001000000100000010000001100000000001000110000001001001110110111010101001101101111111001110110001111111011110111111111110,IWISCLLSCPENKH-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=CC(=C(C=C1)Cl)C#N)CCC2=C(C=C(CCN)C=C2)C3,D19AF6FA23ACCCDF_E0466412615B123F_7017_UN,8.94843,00000000000000000000000000000000110000000100000000010001001111001001000001010000011010111000001000101111111100011000011001101100111000101110001011011011010110110111110,DGBIHPVSFKYTKM-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=CC(=C(C=C1)Br)C#N)CCC2=C(C=C(CCN)C=C2)C3,69280E69B3E23775_48C079595CCB8EBD_7017_UN,8.948421,00000000000000000000000000000000110000000100001000010001001111001001000001010000011010111000001000101110111100011000011001101100111000101110001011011011010110110111110,RHLDYNHHEKNZKN-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=CC(=C(C=C1)F)C#N)CCC2=C(C=C(CCN)C=C2)C3,283FC5A7DB779528_7D6025D2F50D1C9D_7017_UN,8.948409,00000000000000000000000000000000110000000110000000010001001111001001000001010000011010111000001000101110111100011000011001101100111000101110001011011011010110110111110,UNWDSKVKNOIGFC-UHFFFAOYSA-N
+COCCC1=CC=C(C=C1)OC2=CC=CC(=C2)N3CCNCC3,778282D6D6DD9099_FF16032F702928E3_7022_DP,8.948364,00000000000000000000000000000000000000000000000000000000000000100000000000010001001001100001010001101000100001010101101011100111110011010110001101011001110111111111110,WTBUTCRGBBMKRW-UHFFFAOYSA-N
+CC(C)[C@H]1[C@H](CCN1)OC2=C(C3=C(C=C2)C=CC=N3)Br,E2E84D045E53F04C_C383C399A54B7AB2_6035_UN,8.947939,00000000000000000000000000000000000000000000001000000000000000000100000000100000001100010011000111101100110110010100001011000111000010100100001111010111110011101111110,GMHFOMLVXHEXSN-ZFWWWQNUSA-N
+N3C[C@@H]2CC[C@H](OC1=C(C=C(C)C=C1Br)CC=C)C[C@@H]2C3,3EFD522A8B6F5162_2321AC9692A8CBAC_6035_DP,8.947332,00000000000000000000000000000000001000000000001000000000000000000000000000000000001100110011000010011100010110000100001001000011110010100110000111010011110101101111110,QSUSGTSLLQAWJL-XHSDSOJGSA-N
+O([C@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=NC4=C3C=CC(=C4)N,94F3DC4FF9450937_AE281606207C1B8F_6035_UN,8.9470825,00000000000000000000000000000000000000000010000000000000000000000100000000000000100010010000000001100100010100000100001001000111100011110100001111010001100011100111110,PVQJROYXOJOKBK-SFHVURJKSA-N
+FC2=C1C=C[NH]C1=CC=C2NC3=CC5=C(C=C3)OC4(CCC4)CC5,CCAFDA44D3DD8C63_5300B98D899CA9EA_6041_UN,8.946636,00000000000100000000000000000000000000000010000000000000010000000110000000000000000100010001000010100100010100001100001011000100110111110100001011010011100011100111110,AIPSDOLSBFRSBB-UHFFFAOYSA-N
+C[N]1C(=NN=C1C2CC2)COCC4COC3=CSC=C3O4,E9F36E19C14CD066_4E476E7AF3DC2ADB_6039_UN,8.9464245,00000000000000000000001000000000000010100000000000001000010000100100000010010101100101101100011111100100010011010100100011101110100010000110001010111010110111111111110,CJQCGGPUXHMULH-UHFFFAOYSA-N
+C2(=C(C=C1[NH]C=NC1=C2)C#N)NC3=C(CC)C=C(C=C3)SC#N,8E75604BC84DAE72_171FE47B12EF5813_6041_UN,8.946246,00000000000000000000000000000000000000000100000100000000000100001100000000000101110100001010000010000100010000000010000011000100000101010100001011000011000110101111010,RBQJPHNSKYJRSE-UHFFFAOYSA-N
+N#CCC1=C[N](C2=C1C=CC=C2)CC3(NCCNC3)C,87235FF3A01FADFD_EF3BD2558B67A10E_6034_DP,8.9461355,00000000000000000000000000000000000000000100000000000010000000000110000000010001101101100011000010101100110010011001101011100100110100000110001001011001010110101111010,WGSINFLBVAJWEC-UHFFFAOYSA-N
+N2CCN(CCOCC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1)CC2,3B79CDDB2C9656B3_607219F5974A2810_6039_DP,8.945656,00000000000000000000100000000010000000000000000000000000000000000010000000110001001001100001010100101010100011011000101011101010110010000110011001011101010101111111110,NIXDOXLNCRBNIE-UHFFFAOYSA-N
+CC3(C)COCC(C)(COC1=CC=C(C=C1)C2=CCNCC2)N3,621890EBD0F83553_677AF4431EAF6F89_6035_UN,8.945471,00000000000000000000000000000000000000000000000000100000010000100010000000101000001000100101000100111000100011011101001011000011110100000110011101010101110111111111110,OYDGZEYENRLSIU-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)NC2=CC=C(CC)C=C2)[N](=O)=O,1ABF497EE1E968AA_880A24B775EA055E_6041_UN,8.94479,00000000000000000000000010000000000000000010000001000000100000010000001100000000100000010100011100000010000100000110000100101111001001110000001111101111100111111111110,QTTRZHUCPVENKJ-UHFFFAOYSA-N
+O(CC1=C[NH]C2=C1C(=CC=C2)F)C4=C3N=CC=CC3=C(C=C4)[N](=O)=O,FA3DE7444B461B57_A1FFF95B3D93B154_6035_UN,8.944419,00000000000000000000000010000000000000000010000001000000100000010100001100000000100100010011001111100110010101000100000111101111001001110100001101101001110111110111110,RMTQNBFJMJVNHG-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)N[C@@H]2CCO[C@@H](C2)C3=CC=NC=C3,316E0CDE46FC90A7_701F8CE6BD5B6407_7022_UN,8.943433,00000000000000000000000000000000000000000010000000000000010000100100000000000000000000010010000001100001101101011100001011000111110011110100001111010011110011110111110,AMNKSCYWFJKIRI-HIFRSBDPSA-N
+FC2=C1N(C=CC1=CC=C2Cl)CCN(C(C)C)CC3CCNCC3,8A254EC9FDFF94D5_F5124C85FAF14915_6034_UN,8.942906,00000000000000000000000000000000000000000010000000000000000000000100000000110001001101110001000010101101110110010000101011100100110000100110001011011111010110101111010,AJOJDPJEXFKFGY-UHFFFAOYSA-N
+O([C@@H]1CCO[C@@H](C1)C2=CC=CC=C2)C4=C3C=C(C=C(C3=NC=C4)F)F,AB975D8F68331D2A_A29451A524463232_6035_UN,8.942833,00000000000000000000000000000000000000000010000000000000010000100100000000000000000000010100000001100100010101000100001011000111110010100100000101010000110011010111110,QXSRQHMHULJLJI-BEFAXECRSA-N
+O([C@@H]1CCO[C@@H](C1)C2=CC=CC=C2)C4=C3C=CC=C(C3=NC=C4Cl)Br,20905D741EE82002_8DED1D01D0808756_6035_UN,8.942584,00000000000000000000000000000000000000000000001000000000010000100100000000000000000000010100000001100101010101000100001011000111110010100100000111010010110011010111110,RBPROZFPUAAEEU-KDOFPFPSSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=CC(=C2)Cl)C(F)(F)F,402CF5A80CD4A704_22558EBBAB9C76E0_6035_DP,8.942201,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000100101001101110011100101001000011110101110110001111010011110011101111110,SFVPNAMOKZBONK-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=CC(=C2)F)C(F)(F)F,66D350FD140C48AB_E363EA5D8E3A8F03_6035_DP,8.942191,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000100101000101110011100101001000011110101110110001111010011110011101111110,KEIOTDYTDRGTMU-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=CC(=C2)Br)C(F)(F)F,E22E5E085C45CE44_B3FE6A421227B3D4_6035_DP,8.942187,00000000000000000000000000000000000000000010001000000000000000000010000000000000001010110001000100101000101110011100101001000011110101110110001111010011110011101111110,QDTNDSPBMYZHLM-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(N)C=CC(=C2)I)C(F)(F)F,90D8B0F1C6DA3DA2_3990C048F1BF81C2_6035_DP,8.942179,00000000000000000000000000010000000000000010000000000000000000000010000000000000001010110001000100101000101110011100101001000011110101110110001111010011110011101111110,ODMMNBRJXQODNW-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Br)C#N)CC2=CC3=C(C=C2)CNCC3,D2C866C8D4089666_CF256D81B9760DEC_6031_DP,8.94189,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000110001000000101100110101010000001001010110110010100110001011010011011101110111110,GTZRWXRDECQKQG-UHFFFAOYSA-N
+C(N1CCNCC1)C2=C3C(=CC=C2)[N](C=C3)CC4(CNC4)C,A6F241E2A826ACDC_CD91712B20DCD80F_6034_DP,8.941683,00000000100100000000000000000000000000000000000000000000000000000110000000010001101101100011000010101100110000011001001011100100110100000110001001011001010110101111010,SIQGWJRMQJSTSK-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(C=C(CN(C)C)C=C2)C)C#N,09C459390E124ECE_C947BB4F3DF5180A_6026_UN,8.941507,00000000000000000000000000000000110000000100000000010001001111001001010001100000010001101000011000001010001010001101010000101111001001011000011111101111110111111111110,XWNGTPREVPFGSP-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)NNC2=O)NCC3=CC=CC(=C3)CSC,AD4A28B8F2502C68_7FFAA3BE383A439F_6041_UN,8.941363,00000000000000000000000000000000000000000000000000001000000000000100110000000000001000101000111100101100010000100101010011001101100101011110001101000001011110111111110,NEQOFPYXZHDVNS-UHFFFAOYSA-N
+CC(=O)C1=CC=C(N(C1=O)C[C@H]2NCC[C@@H](CC)C2)C(F)(F)F,044AEAEF5FFB430C_E7CBCD2D63299159_6034_UN,8.940885,00000000000000000000000000000000000000000010000000000000000000000100000000010001001001000101100001101000101110111110111011100001110000101110001111011111111110111111110,VTJOCPBXWOKMTQ-NEPJUHHUSA-N
+N1CCC2=C1C=C(C=C2)CC(=O)OCCC3=CN=C(N)C=C3,36D7658483B7D7C1_73F7E00CB36D6E45_6031_DP,8.940833,00000000000000000000000000000000000000100000000000000000000000000100000000000100001110000011000010101100110001010000001011010110110111010110001011010001011111110111110,ZQNVHVZRSYMJSR-UHFFFAOYSA-N
+N3C[C@@H](OC(=O)C1=CC=CC2=CC=C[N]12)[C@H](CC#N)C3,1D2644BF5B6FA44C_47C578AEB8C66DD0_6038_DP,8.940701,00000000000000000000000000000000000000000100000000000000000000000100000000000000001101100011000111101100010000010000000011110111110010000110001100001011111111110111110,NJNHWOGMMGEHFR-BXUZGUMPSA-N
+C1(=CC2=C(C=C1)CCC2=O)NC4=C3C=CC=NC3=C(C=C4)[N](=O)=O,03C2EAE0120FA95E_E90B08752869EB74_6041_UN,8.940568,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000000001011100110010000000000001101101101001011011100001111111001101010110111110,DAEHNFSOEVAZLP-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=C(C=C1)Br)C#N)NC2=CC4=C(C=C2)OC3(CCC3)CC4,C9EE72B8FB7A8ACB_F1F01C6654812D21_6026_UN,8.940326,00000000000100000000000000000000110000000100001000010001011111001011010001000000010000011001001000100110011100001100011000001100111011111100001011111011100011110111110,IZAFMTQEAHWQOO-UHFFFAOYSA-N
+C[C@H]1[C@@H](CCNC1)OC3=CC=C(CC2CCCNC2)C=C3,D5B29590E40C6FE7_236602EC3ECC9DF8_6035_DP,8.940227,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100011000001101000100010010101101011000011110110000110001101010011110101101111110,FYWJTMPNPIGYDU-OXPKRCOGSA-N
+CC1=NC(=CC(=C1)[N](=O)=O)NC2=CC(=C(C=C2)C)OCC,844A10598E03BB77_25A2F1A82507E17F_6041_UN,8.939319,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000000000001001100010000011000110000101101111001001010100011111101111110111111111110,KPLAKKHBAYFYNQ-UHFFFAOYSA-N
+CC(C)(OC1=CC(=C(C(=C1C)C)Br)C)CN2CCCNCC2,708841541B199F9D_08044FCE60F6ECF4_6035_UN,8.939228,00000000000000000001000000000000000000000000001000000000000000000010000000110001101001110011000100001000100110011101001011100011110010100110011110011111110101101111110,ZNEQTLGIXIAFKA-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C(=O)CCC2)NC3=CC=CC4=C3CNC4,77237A24BA752467_7B0D567441B6DEE7_6026_DP,8.938615,00000000000000000000000000000000110000000000000000010101001111001001010001000000111100101011001010001110011000001000011001001101111111011110001111111001111010110111110,NGCGHTSUENIZFR-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CNC2)CC(C3=CN=C[N]3C)N,19892B759E8C661B_4E070D5F03B9F48A_6031_UN,8.935798,00000000000000000000000000000000000000000000000000000000000000000100000000010101101111100001010111001100110011010000000011110110010100000110001010001011011111111111110,OAXIIBQSPUEPNS-UHFFFAOYSA-N
+N4CC(C)(COCC1=CC(=C2C(=C1)OCO2)C3=C(C)[N](N=C3)C)C4,ACE8FD51BDEF96F2_77DF98157951B63C_6039_DP,8.934551,00000000100100000000000000001000000000000000000000001000010000100110000010010000101100100010011011001100010011001101000011111110100000000110011010101111110111111111110,GYTIUXGCPOHRAJ-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=C(C2=C(C=C1)C=CC=C2)Br)CCCCC34CCNCC4,E6D575869649CAD7_30A2FABBA54BF70C_7017_UN,8.934507,00000000000000000000000000000000110000000000001000010001001111001011000001010000111000111001001000101110111100011000011011101100111000101110001011011011010010110111110,UXSZTHNQVIQGFU-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)C(=O)OC[C@H]3C[C@@H]2NC[C@@H]2C3)C(F)(F)F,01E75787F444ED74_6A0731C140B6DCF6_6031_UN,8.934369,00000000100100000001000000000000000000000010000000000000000000000000000000000000001010000011000010001000111101011000000001010010110101110110001010000011011111110111110,LCFYUUBBTBZYHY-DVYJOKAKSA-N
+FC2=C1N=CC=CC1=CC(=C2)NC[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,FEE6A3BF6210FA16_5CEAEF359B62B276_6041_DP,8.9338455,00000000000000000000000000000000000000000010000000000100000000100100000000000000101000110011000000101100110100010000001011000100110101110110001001010011010110100111010,NLCCOYHTJUKBTC-QFBILLFUSA-N
+FC1=CC4=C(C(=C1)NC[C@@H]2C[C@@H](CN2CC3=CC=N[N]3C)F)C=NC=C4,B636C8ED4001CE23_240B16DBB73F63AC_6041_UN,8.933481,00000000000000000000000000000000000000000010000000001000000000000100000000010001101101110011011010101100010100010000100011101100110001110110001011001011010110101111010,XMIUDLBYKNBNCJ-RDJZCZTQSA-N
+N4CCC1(CC1(COC2=CC=C(C=C2)C3CNCC3)C#N)CC4,EA2CA6B9C4B5516D_81B6937F299DF532_6035_DP,8.933192,00000000000000000000001000000000000000000100000000000000000000100010000000000000001100100011000011101000110001011100001011000011110100000110001101010001110101100111110,LGWPTQQCLLMPNL-UHFFFAOYSA-N
+ClC1=CC2=C(N=C1)N(C(=O)C=C2)CCOCCNCCN,E29DD21B14F3A7E1_3EC12AC5108BD2F7_6034_DP,8.933045,00000000000000000000000000000000000000100000000000000010000000000100000000010101001011110001100101101101110101110100011011100111110110100110001111011011011111110111110,OIFPNCVNQIXNGU-UHFFFAOYSA-N
+FC1=C(N=CC(=C1)NC3=C2C=NC=CC2=C(C=C3)N4CCOCC4)F,9910CBD74BBA2E82_0E15E5F88418EDE5_6041_UN,8.932792,00000000000000000000000000000000000000000010000000000000010000100100000000010001100001110000000100101100010101010000001011100100110011110110001011011011010011100111110,PAMYGOIUQPNLLB-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,A0B85686BC98274E_815A50023E46D130_6026_UN,8.932278,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011000000010001001001001010000101110001001011000011011101111010111111111110,XZERTAZDHHUHEG-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)O[C@@H]2CNC[C@H]2OC,A3661A47CD0A2D34_B910E849D6A57516_7022_DP,8.931784,00000000000000000000000000000000000000000010000000000000000000000000000010000000001100110101010111001001001110001100100001000011010010100110000110100011110001111111110,SEXPEMKIGPITKE-GHMZBOCLSA-N
+COC1=C(C=C(C(=C1)C)NC2=C(C=C(C[S](C)(=O)=O)C=C2)C#N)C,65798F0BF466FAC5_EABC72732D3F4FEA_6041_UN,8.931627,00000000000000000000000000000000000000000100000000010001001011000001000001000000100000101000010000000010000000001101000000001111001011011000011111101111110111111111110,CNKLXIIDLSYRQR-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)C2=CC=C(C=C2)C3(O)CCC3)C#N,2E63F6918D4C147A_E74BB3813DA2C94A_6006_UN,8.931474,00000000000100000000000000000000000000000110000000000000000000100010000000000000000000010011000000000000100100001000001000000101000010100001000111010010100001000111110,JLUUYNNWIZDLOX-UHFFFAOYSA-N
+ClC1=C(C=CC(=C1)C2=CC=C(C=C2)C3(O)CCC3)C#N,BC0A8077F0B74F0A_AE75C4590184D430_6004_UN,8.931471,00000000000100000000000000000000000000000100000000000000000000100010000000000000000000010011000000000001100100001000001000000101000010100001000111010010100001000111110,LIGCBCDYSWLEEJ-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(C=CC(=C2)N)Br)C(F)(F)F,0E565DF51B0E4A33_E306A4B46BA0514A_6035_DP,8.931371,00000000000000000000000000000000000000000010001000000000000000000010000000000000001010110001000001101000101110011100101001000011110101110110001111010011110011101111110,FZSIHBGKENVJMM-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(C=CC(=C2)N)F)C(F)(F)F,1669D9B3B06B0F9E_27775C9E53517078_6035_DP,8.9313545,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000001101000101110011100101001000011110101110110001111010011110011101111110,UPHPETNUMZAHJG-UHFFFAOYSA-N
+C(C2=C1C=CC=CC1=C(C=C2)C#N)=CC3([S](N)(=O)=O)CC3,75A9FA1EB8AF2D1F_26593D2C51DFC1A2_7019_DP,8.931243,00000000000000000000001000000000110000000100000000010001001011001011010001000000010010001011001000010110011000001000010000001100001000001000001001011001000010010111110,PFEJMCFCXAXMKO-UHFFFAOYSA-N
+CC1=C(C3=C(N1C[C@H]2NCC[C@@H](C(C)(C)C)C2)C=CC(=C3)C#N)C,9E0E8AB93A0A0E1A_AEC87D2874651A6F_6034_UN,8.930947,00000000000000000000000000000000000000000100000000000000000000000110000000110001001101000001000010101100110010011000101011100100110000000110011011011111010110101111010,VMHURTXDAXSKLV-MSOLQXFVSA-N
+N4CCC1=C(C=C(C(N1CC(C)C2=CC3=C(C=C2)C=CC=C3)=O)C#N)C4,8FB42B942E03D628_D306421C7CC3A950_6034_DP,8.930738,00000000000000000000000000000000000000000100000000000000000000000100000000010000101001100001100001101100110000110101011011100101110000000110001111011011011110101111110,NIGKPTQIZGWFPA-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NC3=CC(=C(C=C3)C#N)C#N,5FC283CDA07E878F_027DB9EFF901C0C2_6026_UN,8.93044,00000000000000000000000000000000110000000100000000010001001111001101010001010000010101001000011010000110011000001000010001101100001001011100001011001011000010111111110,PQSXGBNBSRVEFQ-UHFFFAOYSA-N
+C#CC2=CC1=C(C=CC=C1)N2CC3CNCC34COC4,3451839FFAF7079F_5927E7C479E79034_6034_UN,8.930075,00000000100100000100000000000000000000000000000000000000010000000110000000010000101101100011000011001100010001001000000011100100110000000110001010001011010111100111110,MHPJEULZJRGWGY-UHFFFAOYSA-N
+CC2=C(C=C1N(C(C(=CC1=C2)C)=O)C[C@@H]3CCCN[C@@H]3C(F)(F)F)C,0788213506452BE9_C57A21D05C771930_6034_UN,8.930016,00000000000000000000000000000000000000000010000000000000000000000100000000010000101001000011100000101100111110111100011011100101110000100110011111011111011110101111110,NBPLTMMJJAPOSV-YOEHRIQHSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)N4CCCC(OC3=C(OC)C=CC=C3)C4,892FC29F0EB85529_0DBCD6BEA92C9603_6026_UN,8.929713,00000000000000000000000000000000110000000000000000010001001111001101000011010000010100101000011110101110011000011100011011101111111010001110101111111011110011111111110,QTPXQXZLTGIVOC-UHFFFAOYSA-N
+N2CCC(COC1=CC=CC(=C1F)CN)(C2)C(F)(F)F,85D4882960A4687D_D7004652C6AB2291_6035_DP,8.929599,00000000000000000000000000000000000000000010000000000000000000000010000000000000001110110011000011001000101101011100001001000011110100100110001110010011110101100111110,FXFCRYXEBPMRII-UHFFFAOYSA-N
+O(C(=O)C1(CCNCC1)C2=CC=C(C=C2)Br)C[C@@H]3CCCN[C@@H]3C(F)(F)F,713A2322DC8CC082_82D6D7031118B554_6031_UN,8.929446,00000000000000000000000000000000000000000010001000000000000000100010000000000000001000110011000001101000101101011000001011010010110100100110001001010011011111110111110,YYQAYLRQKQPPTB-BBRMVZONSA-N
+O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C[NH]N=C3,50E828E2C6CF090D_A6819AB0399CB47E_6041_DP,8.929108,00000000000000000000000110000000000000000000000001001110110000110100011100010001100101000000001111001010001001110000011111111101001111011110101110111011011011110111110,BIRLMOZCFIBMAY-UHFFFAOYSA-N
+FC1=CN=C(C=C1)C2=NC(=CC=N2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,47D25CAC76706CEC_B69DC0F4B8AA346E_6041_UN,8.929036,00000000000000000000000000000000000000100010000000000000000000100100000000010101100101110011010010101000100110010001101011100100000001110100001001011011010010101111010,DVQVRGQHZOFUDJ-APWZRJJASA-N
+CC1=C(C3=C(N1CCN2CCNCC2(C)C)C=CC(=C3)C#N)C,1A8EAF0B42F123D1_9B3AE10E4729261B_6034_UN,8.928255,00000000000000000000000000000000000000000100000000000000000000000110000000110001001101100001000010101100110010011001101011100100110000000110011011011111010110101111010,OKDWYKMNUXARPB-UHFFFAOYSA-N
+C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC4=C(C=CC(=C4)CN)F,8DD31660BF70E1C3_C340CBDBCE280739_6034_UN,8.928244,00000000000000000000000000000000000000000010000000000000000000100100000000010000001111110001000010101100110100010000001011100100110100100110001011011011010110100111010,KRECIONKSKMMQI-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)C[C@H]([C@H](OC)C)N,7B2863D83D47F112_616403CF06D957A7_6034_UN,8.928241,00000000000000000000000000000000000000000010000000100000000000100100000000011001001111110001010111111100110110010000101011100110110100100110001001011101110111101111110,OIKUFSKHLPUPMC-SJKOYZFVSA-N
+CC(C)C1(CNCC1)OC3=C2C=CC=CC2=C(N)C=C3Cl,1347C8A87CED3C20_D7DCFD8282764A87_6035_UN,8.927553,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110110011000111001101110110011100101001000111010111110110001111010111110011101111110,IRKZKSAUTDKDAZ-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)C=C[NH]2)NC3=C(C=C(C(=C3)F)F)N4CCCCC4,C32E07934A5CBED1_4A650C7AAB02EDBD_6041_UN,8.925212,00000000000000000000000000000000000000000010000000000100000000100100000000010001100101110001000010101100010100010000001011100100110101110110001011011011010010100111010,HBNVYZIRXLMGKL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC[C@@H]4C[C@@H](CN4CC5=CC=N[N]5C)F,70E4FED7CECF66B1_5920C010BD187EB1_6041_UN,8.924786,00000000000000000000001000000000000000000010000000001000000000100100000000010001101101110011011010001100010100010000100011101100110101110110001010011011010110101111010,FQRLYKSCIZVZKX-YJBOKZPZSA-N
+CC1=C(C=C([N](=C1)=O)NC2=CC=C(OCCOC)C=C2)[N](=O)=O,7856318093181ACE_8D329CD9BAA28D20_6041_UN,8.924524,00000000000001000000000010000000000000100000000001000000100000010100001110010100100000100000011100100010000001000101101101101111001011010110101111111111110111111111110,OZXLSTUUZNHBMV-UHFFFAOYSA-N
+CC(C)(COC1=C(C=CC=C1F)CC=C)N2CCNCC2,F94969C9ED01DC4D_CEF2D4F48E3BE07B_6035_UN,8.923975,00000000000000000000000000000000001000000010000000000000000000000010000000110001001001110001000100111000100111011101101011100011110000100110001111011111110111101111110,DIVCDYHAXKPUBO-UHFFFAOYSA-N
+NC(C1=CC=CC=C1)C2=CC=CC(=O)N2C[C@@]34[C@@](C3)(CNC4)C(F)(F)F,2B342E102593AD4E_47E596ABED340A76_6034_UN,8.923725,00000000000000000000001000000000000000000010000000000000000000000110000000010001101111100011100010101000011100101100010011100101110100100110001111001011011110100111110,FWFJNOFANSBRNN-UKKPGEIXSA-N
+COCOC1=CC(=C(C=C1)NC2=CC(=CC(=C2)F)C)C#N,4DC53FE758F86AB3_3B34F6F580694D5D_6041_UN,8.923528,00000000000000000000000000001000000000000110000000000000000000000000000000000000100000110000010000000000000101000101000000010111000001110000001111000111110111111111110,NDMSZTAKESTECS-UHFFFAOYSA-N
+O=C1C4=C(N=CN1C[C@H]2[C@@H](CCNC2)C3=CC=C(C=C3)F)CNCC4,A4949501FE2D2E69_D4A5D53582ED36DA_6034_UN,8.923343,00000000000000000000000000000000000000000010000000000000000000100100000000010101101001110011100001101100110100110100011011100101110100100110001111011011011110100111110,LEJJCGJGKHXSSS-HOCLYGCPSA-N
+COCC[N]1C=CC2=C1C=C(C=C2)NCCC3=CC(=C(C=C3)C#N)C,C992B960C8DBD34A_8A3E4B6F0F09AC9D_6041_UN,8.922912,00000000000000000000000000000000000000000100000000000000000000000100000000010000101101100000010110001100110011010001101001100110000011010110001011011111010111101111110,NIQHVYFNEANMSF-UHFFFAOYSA-N
+O(C1C(CNCC1)(F)F)C2=CC(=C(C(=C2C)C)C#N)C,78F9B09F32732F2A_2B51795972C9241B_6035_UN,8.922568,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000001101000100100011100001001000011110010100110011111010111110001101111110,WTZKMEDXKCNJFB-UHFFFAOYSA-N
+COC(=O)C1=C(C=C2C(=C1)N(C=C2)CC3=CC4=C(C=C3)C(=O)CCN4)N,3818AA61FA35C139_2E0A707FE2D2FEB1_6034_UN,8.922195,00000000000000000000000000000000000000000000000000000000000000000100000000010000001111000001010011101100110000010000001011110111000111011110001111111011111111111111110,XPRWRFZUCSZLOQ-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)OCC2)[S](C3=NC=CC4=C3C=CC(=C4)F)(=O)=O,B93D5FF57E038175_1A4709D3298C1B42_6029_UN,8.92158,00000000000000000000000000000000110000000010000100010001011111001101010001000001011100011000001110101110011101001100011011001100101010101110001011111001110111110111110,YMUOXQLMYIEHCH-UHFFFAOYSA-N
+OC1=C(C3=C(N1CC2(CC)CNCCC2)C=CC=C3)C#N,574B8EDB04FDFF1C_E0CFD0BF4C8A39A8_6034_UN,8.921254,00000000000000000000000000000000000000000100000000000000000000000110000000010000101101100011100011101100110010111110111011100101110100000111001111011011010111101111110,DCILTHBOMVRHSS-UHFFFAOYSA-N
+N4CCC1=C(C=CC(=C1)OC(C3=CC2=C(OCCN2C)C=C3)=O)C4,756C76A169DA33B1_2A2D012F18A96F51_6038_DP,8.920694,00000000000000000000000000000000000000000000000000000000010000000000000000010000001001100001010100101100110001010101101011110111110010010110001111111001111011111111110,NDBGFZSZSSQHGD-UHFFFAOYSA-N
+N2CCC1=C(C=CC(=C1)C#N)C2C(=O)OCC4=C3C=C[NH]C3=CC=C4,C3CA72C3C6DBDEF1_7A83999A51ACF4EC_6031_DP,8.920322,00000000000000000000000000000000000000000100000000000000000000000100000000000000001100000001000110101100110001010000001011010110000100000110001011010001011111110111110,PIYYROGNWLPBFF-UHFFFAOYSA-N
+CN(C)C2CCN(CCCOC1=C(C)C=CC(=C1C)N)CC2,6062DB30DB4E3FBF_19D07541EFA261FC_6035_UN,8.920101,00000000000000000000000000000000000000000000000000000000000000000000000000110000100011100000010001101000000011010100101001100011110011010110011111011111110111101111110,PJRNAWVPAKWNPW-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCC3=CC=CC(=C3)N(C)C,F527FD97A112DDAB_7D161F73BCC0B1BE_6026_UN,8.919704,00000000000000000000000000000000110000000000000000010001001111001101010001110000011101101000011010001110011000001000010001101100001001011100011001001101010110111111110,JBTAXDJPBXCZNH-UHFFFAOYSA-N
+COCC3(CNC(=O)C1=CC2=C(C=C1)CNCCO2)CNC3,A51C522E6416E62B_EC7D617B8F380D99_6038_DP,8.919573,00000000100100000001000000000000000000000000000000000100010000000010000000000000101000100010110101001100110011111101011011000010110110000110001010110001111111111111110,JETUHKANRJKVCG-UHFFFAOYSA-N
+O([C@H]1[C@@H](NCCC1)C(F)(F)F)C2=C3C(=C(CN)C=C2)C=CC=C3,ADE9F94DA8DA484E_5A386DD44CB123EC_6035_UN,8.9195595,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010000011000100101100111100011100001001000111100110100110001101010011110111100111110,QRHXJZBUAYDKBM-HZPDHXFCSA-N
+O([C@H](CCl)C1=CC=C(C=C1)Br)C2=CC(=CC(=C2)F)C3CCCNC3,EBFC43E787A49B82_A8849E10CE1929CB_6035_UN,8.919555,00000000000000000000000000000000000000000010001000000000000000100000000000000000001000110011000000101001100100010100001001000111110010100110000101010001110101100111110,ZTCUNWQVLGMTNR-JANGERMGSA-N
+O([C@H](CCl)C1=CC=C(C=C1)Cl)C2=CC(=CC(=C2)F)C3CCCNC3,2B692B97E58ABD0C_7C468B005D434115_6035_UN,8.919543,00000000000000000000000000000000000000000010000000000000000000100000000000000000001000110011000000101001100100010100001001000111110010100110000101010001110101100111110,DHARJUCSTBNUPE-JANGERMGSA-N
+C1(=CC(=CC(=C1)F)Cl)NCC3=CC2=C(CN(C)C2)C=C3,2034589F04E35B7A_1B1F4BC62D430213_7022_UN,8.918671,00000000000000000000000000000000000000000010000000000000000000000000000000010000001101110000010010001101010100000001000001100100110001110110001011001001010110101111010,OUPYXQBTZGKZIG-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)F)NCC3=CC2=C(CN(C)C2)C=C3,46D82F705F1A904A_93BEFF21334F7494_7022_UN,8.918665,00000000000000000000000000000000000000000010000000000000000000000000000000010000001101110000010010001100010100000001000001100100110001110110001011001001010110101111010,UFKHHSSXZILZFY-UHFFFAOYSA-N
+CC[C@H](OC1=C(C=C(C=C1)C#N)I)CN2CCNCC2,D92BD27CF5AE07F4_35E8AFD559FF21F9_6035_UN,8.918657,00000000000000000000000000010000000000000100000000000000000000000000000000010001001001110001000100101000100100010110101011100011110010100110001111011011110101101111110,DGXASQOUOPFTJJ-ZDUSSCGKSA-N
+C1(=CC(=CC(=C1)Cl)Cl)NCC3=CC2=C(CN(C)C2)C=C3,0B969E0ACBD378A2_E8A6359F978468F6_7022_UN,8.918653,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101110000010010001101010100000001000001100100110001110110001011001001010110101111010,HGVPXZIMGZNVLE-UHFFFAOYSA-N
+CC[C@H](OC1=C(C=C(C=C1)C#N)Cl)CN2CCNCC2,7B6F70E28F0DC714_FD708F4DC341969C_6035_UN,8.918648,00000000000000000000000000000000000000000100000000000000000000000000000000010001001001110001000100101001100100010110101011100011110010100110001111011011110101101111110,QYQMZIROVSRRSL-ZDUSSCGKSA-N
+CC[C@H](OC1=C(C=C(C=C1)C#N)F)CN2CCNCC2,09B95C7E298D2002_C719333CC4917CE2_6035_UN,8.918643,00000000000000000000000000000000000000000110000000000000000000000000000000010001001001110001000100101000100100010110101011100011110010100110001111011011110101101111110,ATASKQUZMISMNY-ZDUSSCGKSA-N
+ClC1=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3CCC4=C[NH]C5=C4C=CC=C5,F6B308A9DBE0D7FC_CD859BA1E79E4E30_6034_UN,8.918638,00000000000000000000000000000000000000000000000000000000000000000100000000010000000101010011000011101101010100010100001011100101110000100100001111011001111110100111110,VWAJSGVLUKDKIP-UHFFFAOYSA-N
+N(CC1=C[NH]C2=C1C=C(C=C2)F)C(C3=CC=C4[N]3CCNC45CCC5)=O,4DB99910BD56DB45_29F0C9B6CAE475F9_6038_DP,8.918498,00000000000100000000000000000000000000000010000000000100000000000110000000000001101101010011100110101100110100111000011011100100110100100110001011011001011110100111110,XINQAWMODINLPX-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COCC2)[S](C4=C[N]3C=C(CCl)N=C3C=C4)(=O)=O,EE9C4C9A4B98D7B1_734BDF54AC4A4E21_6029_UN,8.918415,00000000000000000000000000000000110000100000000000010001011111001101010001000101110101101001001011100111011001011000011011101100111011111110001011111001010111110111110,OWAJDQRCIJPMFD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NC(C)(C)C3=CC4=C(C=C3)OCO4,5294B604D88BC75C_FA3D547DEA9951AA_6041_UN,8.918351,00000000000000000000000000001000000000000100000000000100010000000110000010100000100100000011000010000100010001011100000011010100000101010100001011000101110111111111110,OAQGBCMHPWSYPK-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OCC2=CC(=C(C=C2)[N](=O)=O)OCC)C3,13DA78385A877705_4A116D9F8A9724AF_6039_DP,8.9183235,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000100101001100101110110001010110001101101111111001010110101111111011110111111111110,QRRFJONCXIOFHV-UHFFFAOYSA-N
+O(CC1CCCS1)CC2=CC(=C3C(=C2)OCO3)C4=C(C)[N](N=C4)C,42D64DF5D5BF3D72_A670DE12DACF7738_6039_UN,8.917728,00000000000000000000000000001000000010000000000000001000010000100100000010010000110100101000011010000100010001000100001011111110110000000110001010111110110111111111110,HECJBRVUBFKGKI-UHFFFAOYSA-N
+CC1=C(C3=C([N]1CCNC2CCCNC2)C=CC=C3)C4=CCNCC4,44FC7274743A05DC_E65E8B92A501F215_6034_DP,8.917364,00000000000000000000000000000000000000000000000000100010000000100100000000011001001101100011000010111100110010010000101011100100110101000110001011011011010110101111010,DFCYSTUPZXQNBJ-UHFFFAOYSA-N
+CO[C@H]3C[C@@H](COC1=CC2=C(C=C1)[NH]C=C2CC#N)NC3,31D0EAEE89312ADC_F9350F11037080FA_6035_DP,8.9166355,00000000000000000000000000000000000000000100000000000000000000000100000000000000001100000011010111001100110001010100100011000111110110000110001100000001110111111111110,ASHLSJGDVDLDJA-JSGCOSHPSA-N
+CSC1=C(C=CC(=C1)NC2(CCNCC2)CC=C)C#N,9B33D2C21817B7C0_282E50E3D20DBAA2_6041_DP,8.91644,00000000000000000000000000000000001000000100000000000100000100001010000000000000111000101011010000111000100000011000001001000000110101010110001011010011010110101111010,PFSJFLFPSHOOSE-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(CN(C)C)C=C2)C)C,40F6637783A5C611_3777D10C49BD0027_6026_UN,8.915698,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011000001010001000001101110000101111001001011000011111101111110111111111110,FHDKCPNUXCHYGJ-UHFFFAOYSA-N
+COC1(CN(CCC1)CCC#C)COC2=CC=C(C=C2)C3CNCC3,5FCE7468EDA8C7BB_7752DE15EF9AEF36_6035_UN,8.915367,00000000000000000100000000000000000000000000000000000000000000100010000010010000001101100011010111101000100011011100101011100011110010000110001101011001110101111111110,JKBNCLHAUCCWGB-UHFFFAOYSA-N
+C1NCCN(C1)C3=CC2=C(C=CC=C2)N3CC4(CCOC)CC=CC4,5C5B876821CE63EA_23364F8EB8F05DCA_6034_UN,8.915161,00000000000000000000000000000000000000100000000000000000000000100110000000010101001101100001010010111100110001011001101011100110110011010110001011011011010111101111110,SLKKFYAPUMPUCP-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2=CN=C(SCC)C=C2,086D6CFD204EBACB_28FBF5660729C491_6041_UN,8.914633,00000000000000000000000010000000000000000000000101000000100100011100001100000001010000101010001001100010000001000010100101101110001001010110001011101111010111111111110,XBBYRHHAOZIQQU-UHFFFAOYSA-N
+N(C1=CC2=C(N=C1)C(=CC=C2)F)C(C3=CC=C4[N]3CCNC45CCC5)=O,5957742C6BBAE4DF_D622FE252323D3F2_6038_DP,8.914534,00000000000100000000000000000000000000000010000000000000000000000110000000000001001101010011100110101100110100111000011011100100110101110110001011011001011010100111110,OQIQZRYBWLEXMZ-UHFFFAOYSA-N
+CCCC1=CC2=C(C=C1)N=CC=C2C3=C(OCC)C=CC(=C3)[N](=O)=O,E8D01DB544305166_00FE66E62CD17E4F_6006_UN,8.914442,00000000000000000000000010000000000000000000000001000000100000110100001100000000000000000000001000100110010001000111001101101111001001010100001111111110110111111111110,KCINELLCUHHSPV-UHFFFAOYSA-N
+CCC1=CC(=C(C(=C1)F)[N](=O)=O)NCC2=C(OC)C=CN=C2,A8FFC262D7B0A732_C9644D0951089AD9_6041_UN,8.914349,00000000000000000000000010000000000000000010000001000000100000010100001100000001101000010001011001101010000110000110000101101111001001110100001111101111110111111111110,HKVATEBTVVNRSD-UHFFFAOYSA-N
+ClC1=C(C2=C(C=C1)C=CC(=O)N2CC3(C)CCCC4=C3C=CC=C4)Cl,2B7B3DDA1F00C207_2E7E105C6BE99379_6034_UN,8.914251,00000000000000000000000000000000000000000000000000000000000000000110000000010000000001010000100000101101010110101101111001100101110000100100000111011010011110101111110,BBZSRXZNCCVELU-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(N=C1)C=CS2)N4C3=C(C=C(OC)C=C3)OCC4,7D5E7FBC0F689763_57748E3F0E5705D7_6026_UN,8.914248,00000000000000000000000000000000110010000000000000010001011111001101000001010000110100001100011111101110011001011100011011101111001010011110101111111000110011111111110,KKGOITACEBZEMW-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCOC3CNCC3)C4CCNCC4,78BF192D1C20DAF0_B2230BB193E6EB99_6034_UN,8.913982,00000000000000000000000000000000000000000000000000000000000000100100000000010000001101100011000111101100110001010000001011100111110110000110001101011001110111101111110,VCWPFNYCWNOONA-UHFFFAOYSA-N
+COCC3(CNC(=O)C1=CC2=C(C=C1)CCNC2)CCNCC3,7C887B897A56D5BE_73519174527D50B7_6038_DP,8.91396,00000000000000000000000000000000000000000000000000000000000000000010000000000000001000100011110001101100110011111001011011000010110100000110001011010001011111111111110,IIRVMYBQHINPGV-UHFFFAOYSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC(=CC=C2)F)C4=CC3=C(N)C=CC(=C3C=C4)C#N,DE9D829E49898B31_9D3E6D53308CC8A3_6035_UN,8.913827,00000000000000000000000000000000000000000110000000000000000000100000000000000000001110110011000011001100010101000100000001000111110101110110001101000011110111100111110,JIXWYCOIYLDGIT-KKSFZXQISA-N
+C1(=CC=C(C=C1)CC(=O)CC#N)NC2=CC=CC3=C2CCNC3,591941D3D4287AD3_246C9AFC410E2407_6041_DP,8.913074,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100011000001101100110000010000001001000100110111010110001011010001111110100111110,CIVLFVMNXQUEAI-UHFFFAOYSA-N
+N2CCC(N)(COC1=C(C=C(C(C)(C)C)C=C1)I)CC2,B3F3758CEF1FA94D_EB00ED8C2B6AE3F3_6035_DP,8.912619,00000000000000000000000000010000000000000000000000000100000000000010000000100000101010110011000100101000100101011100001001000011110101100110011111010111110111101111110,PTTYQLQNXHTBCF-UHFFFAOYSA-N
+N2CCC(N)(COC1=C(C=C(C(C)(C)C)C=C1)Br)CC2,E879489006D90CB5_48C59CDC6B70DFEA_6035_DP,8.912618,00000000000000000000000000000000000000000000001000000100000000000010000000100000101010110011000100101000100101011100001001000011110101100110011111010111110111101111110,XZMOPRLUCVEKEI-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C(=CN(C2=O)CC3=C(C=CC(=C3)CN)F)F,C8A644E1F83ACA91_54D27275A7B8952D_6034_UN,8.912459,00000000000000000000000010000000000000000010000001000000100000010100001100010000001011010000101000101110010100100100010101101101101001111110001111101011011110110111110,OQLMJYAMFFAUKG-UHFFFAOYSA-N
+CC2=C1N(C=CC1=C(C=C2)F)CCN3C[C@@H](C)NC[C@@H]3C,89DBF3E6AEE121E3_F6F5048095E77E58_6034_UN,8.912132,00000000000000000000000000000000000000000010000000000000000000000100000000010001001101110001000010101100110110010001101011100100110000100110011001011111010110101111010,GWYMETVZJHETQQ-KGLIPLIRSA-N
+C[N]1N=CC2=C1CCCC2OC(=O)C5=CC4=C(C=C3OCCOC3=C4)[NH]5,1A2A8AE87B474822_4F3FDD4FB494ACCE_6038_UN,8.911209,00000000000000000000000000000000000000000000000000001000010000000100000010010000100100000000011111100100010011010100101011111111100010000110101111111001111011111111110,GCUAEEJAKCZYID-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NC2=CC=C(CO[Si](C)(C)C)C=C2,459CF5311C4C85DC_BB6BD861EC4D6A86_6041_UN,8.910759,00000000000000000000100000001010000000100000000000000000000000000100000000100100000000100000010100100010000001001101100001011111000001010110011101101101110111111111110,BWQGKVPQUCGWJD-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NC2=CC=CC3=C2C=CN(C)C3=O,B78E1C8297C2C4EE_D8B07ADD6C3736FC_6041_UN,8.910393,00000000000000000000000010000000000000100000000001000000100000010100001100010101000001000000111001100110010000100100010111101101001001011100001111101111001010111111110,OFVWVSPZJZMECQ-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1COCC2=C(CC)C=CC(=C2)[N](=O)=O)C3,567C2DDBADA3F6FC_EF67F83DC9ADCFD5_6039_DP,8.9099655,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000100001001000101110110011010010001101101110111001010110001011111011010111111111110,RRVGXLQEAUQQDK-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NC2(CCOC)CCNC2)F,65A731F2CC9F008F_B7098E5252D76BDB_6041_DP,8.909759,00000000000000000000000000001000000000000010000000000110000000000010000000000001101100110011010011001000100101011101101001010011110111110110001110110111110111111111110,IXCRUXBPSGHJTI-UHFFFAOYSA-N
+COCC(OCC1=C(CC)C=CC=C1)CN2CCSC(C)(C)C2,0EA3ACC3141ACB3A_C8F375B1CB06684C_6039_UN,8.909684,00000000000000000000000000000000000010000000000000000000000000000010000010110000010001101000010101101000000011011011101011100010110010000110010011011110110101111111110,HOKKZHAASBUFOR-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC3=NC4=C([N]3CC)C=CC(=C4)F)C5=CCNCC5,ED4804D3D04F2D93_9A7864CE603A1562_6034_UN,8.90938,00000000000000000000000000000000000000100010000000100000000000100100000000011101001101110001000010111100110110010010001011100100110000100110001011011011010110101111010,ZHBPSKPOTJMTDV-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C=NC=C2)N[C@@H]3CCC[C@@H]3OC4=C(C=CC=C4)F,7474C3C3CA47419E_5B9E9B5C16CE2770_6041_UN,8.909106,00000000000000000000000000000000000000000010000000000000000000000100000000000000000000010011000110100100110100010100001001000111010011110100001111010011100011100111110,RKVSEDKDSQCUAP-MJGOQNOKSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)OC4=C3C=CC=NC3=CC=C4Cl,740C633CA963757C_78013CDAD15D997D_7022_UN,8.908877,00000000000000000000001000000000000000000110000000000000000000100110000000000000000000010000000001100101010100001100000001000111000000100100001111010010100011000111110,KLDFSBXRUMLNEG-UHFFFAOYSA-N
+COC2=C1C(=C[N](C1=CC=C2)[S](C4=CC(=C3[NH]C=CC3=C4)C)(=O)=O)CN(C)C,9FDB99B30BFEBFA2_CECEFEF60F8A608B_6029_UN,8.908203,00000000000000000000000000000000110000000000000000010001001111001101000001110000110101101000011011001110011000001101010011101111001000001100011101101101110111111111110,ACKSBLGQZGWVLQ-UHFFFAOYSA-N
+N3CCC(F)(CNC(=O)C1=CC2=C(C=C1)CNCC2)CC3,EB14971C11329CA5_D2428C7174B21AFC_6038_DP,8.9080925,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110011100000101100110100111000011011000000110100100110001011010001011110100111110,BLWZGNVKWHYKRZ-UHFFFAOYSA-N
+COC1(CCNCC1OC2=CC(=C(C(=C2)F)C#N)F)OC,4A47ED9D699EF191_C5784D5E59410DE7_6003_DP,8.90798,00000000000000000000000000000000000000000110000000000000000000000000000010000000001000110001010101101000100110011100101001010011110010100110001111110111110001111111110,NFXCWRVJYUOOCQ-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=NC=C2C#N)NC3=C(SC)C=CC(=C3)C#N,C8DEA19198163AED_EC47C98195F4E6F5_6041_UN,8.907596,00000000000000000000000000000000000000000100000000000000000100001100000000000001110000001000010000100100010000000000000011000100000001010100001011000011000010101111010,LUQNKBREFBEESJ-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)NCCCN3CCNCC3,2DE132FD9CEDD0FE_75C28454A8D278CF_6026_DP,8.907567,00000000000000000000000000000000110000000000000000010001001111001101010001010001111101101011001010101110111000011000011011101100111100001110001001011001010110110111110,LGYFTKMIKKNJGZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SC=C2)NC3=C(C=C(C)C=C3)[S](=O)(=O)N4CCOCC4,1019C2974436BBE5_9841FEE628F9D42B_6041_UN,8.907539,00000000000000000000000000000000110010000000000000010001011111001001000001010000110100101000001111101110011001011000011011101100111011011110001011111011010011111111110,JMMYIYDQBWPATM-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NCC3=C(OC)C=CC(=C3)[N](=O)=O,99188F397A22F291_5319A23E1AEE83AE_6041_UN,8.907383,00000000000000000000000010000000000000100100000001000000100000010100001100000100001000000000011001101110010010000100000101101111001001010100001111101011110111111111110,BYQBFLIQFQXPEX-UHFFFAOYSA-N
+N4CCC1=C(C=C(C=C1)OC(C2CC3=C(N2C)C=CC=C3)=O)C4,8121080D323494F6_1188418162D2E9D9_6038_DP,8.907371,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100001010110101100110010010100101011110111110000010110001111011011111011111111110,KWKKPLZQNGTFOP-UHFFFAOYSA-N
+O(CC1=C(C=C(C=C1)C#N)F)CCCC2CCNCC2,655CCBAFB1F74F9E_D0080C4B8CBB62DC_6039_DP,8.907115,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101000100101010000001001000010110010100110001011010011010101100111110,OWGDHUIIRSDGLD-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)CC#N)NC(COC)(C)C#N,627DD159D60382D9_B46BFBEA242A7BDC_6041_UN,8.907033,00000000000000000000000000000000000000000100000000000000000000000110000000000001100000100000010101100100110001011001000001000110000001010100001001000101010111101111110,CQZJETFJHXHGEC-UHFFFAOYSA-N
+C2(=C1OCCC1=CC(=C2)CC#N)NC3=C(C=C(C)C=C3)[N](=O)=O,30C60775F6D00AB8_5276E900A4F40260_6041_UN,8.906574,00000000000000000000000010000000000000000100000001000000110000010000001100000001000100000001001111000110010001010100001100101100101011010100001011111011110111111111110,TUQOPXVXLMAYJX-UHFFFAOYSA-N
+COC(=O)C2=C1C=CN(C1=CC(=C2)N)CC3=C(C=CC(=C3)CN)F,08962421763C6B5D_258E86C114276135_6034_UN,8.906176,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111010000010010001100010100000000000001110110100101110110001011001011011111111111110,MDRAXXUQOZAUFN-UHFFFAOYSA-N
+NC[C@@H]1CNC[C@H]1OC2=CC(=C(C=C2)Br)OC(F)(F)F,30DF421D7460D64F_89AB6698BFB0D0F6_6035_DP,8.906116,00000000000000000000000000000000000000000010001000000100000000000000000000000000101110110111000111001000001100001100000001000011110110100110001110000011110101110111110,ZXCXIRJFWBNAEV-RDDDGLTNSA-N
+NC[C@@H]1CNC[C@H]1OC2=CC(=C(C=C2)F)OC(F)(F)F,71CBBE2A2268202A_D4FE0A5A91D299DC_6035_DP,8.906109,00000000000000000000000000000000000000000010000000000100000000000000000000000000101110110111000111001000001100001100000001000011110110100110001110000011110101110111110,YNMLNMLOVQXLSI-RDDDGLTNSA-N
+COC1=CC=C(C=C1)C(C)(OCCC2OCCNC2)CC#N,2A356FF35ECE636D_D318567D3A3D1FEA_6039_DP,8.905207,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100111010101101000100011011101101011000011110010000110001101110101110101111111110,XICOSQSRVZBEQB-UHFFFAOYSA-N
+COC(=O)C1=CC2=C(C=C1)N(C=C2)CC4COC3=C(C=C(N)C=C3)N4,F60C199CD66FD54B_F295A5F69EBED11D_6034_UN,8.904786,00000000000000000000000000000000000000000000000000000100010000000100000000010001100111000001010111101100110001010100000011110110000101010110001011101001111111111111110,IVRZJZAZOSVIJA-UHFFFAOYSA-N
+CC1=C(C3=C(N1C[C@H]2OCC[C@H]2C)C=CC=C3)C4=CCNCC4,B3076A4D16D129AB_A9165EED6115B2A6_6034_UN,8.904553,00000000000000000000000000000000000000000000000000100000010000100100000000011000001101100001000110111100110011010001101011100100110010000110001011011111110111101111110,TXICSFNPWSYMKW-AUUYWEPGSA-N
+CC(CCOC1=CC=C(C=C1CCl)C#N)C2CCNCC2,92BD42CD15204175_68114371F9BFC563_6003_DP,8.903697,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001000000101001100011010101101001000011110010100110001111010011110101101111110,ILSKGWUKGYDUDT-UHFFFAOYSA-N
+CC(C)O[C@@H]1COC[C@H]1OC2=COC3=C2C=C(C)C=C3,3F81CD2537663648_CF4F49AD7EBA2908_6035_UN,8.903564,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100100100000010000100010011000100000010000111010010000110110100100110110001011011110,LTYBWIZJQRXHJG-HZPDHXFCSA-N
+IC2=CN(C1=C(CNCC1)C2=O)CC3=CC=C(C4=C3CNCC4)N,3C84AB646AFFC74A_C0D255169508804B_6034_DP,8.903561,00000000000000000000000000010000000000000000000000000000000000000100000000010000101011110011000001101100110100010100001011100101110101110110001111011011111110100111110,AWJMAGRMVWIMQO-UHFFFAOYSA-N
+N(C1=C(C=C(C(=C1)O)C#N)F)[S](C2=C(C=CC(=C2)OC)F)(=O)=O,BBEB8F04AD21786D_1C2570E1479300D9_6029_UN,8.903305,00000000000000000000000000000000110000000110000000010101001111001001010001000000010000011000011001000010001100001100010000001111001101111001101111101011100011111111110,WTUUWBQFISOTOE-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=CC(=C(C(C)C)C=C3)C,5F7D17E57A86C903_6648AA9AE42C6C36_6035_UN,8.902851,00000000100100000000000000000000000000000010000000000000010000000010000000100000001100110011000011001000010101001100000011000011110000100110010110000111110101111111110,XTNXRUMUERISOT-UHFFFAOYSA-N
+CCOC1=CC2=C(C=C1)N=C(C=C2)NC3=C(C)C=C(C=C3)[N](=O)=O,BFE8E6EFF69D19A3_F8A1E5DD309F1A87_6041_UN,8.902746,00000000000000000000000010000000000000100000000001000000100000010100001100000100000000000000001000100110010001000110000101101111001001010100001111101111110111111111110,NMSMHSDREOFORT-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)OCCNC2)CCC=CC=C,CE1B33E7FF92BB88_B7123B8A2C7E0EB7_6031_UN,8.902739,00000000000000000001000000000000001000000000000000000000010000000000000000000000001000100000000101011100110001010100001011010010110010000110000010110001111101110111110,OYXLHDGVVTZLCO-UHFFFAOYSA-N
+CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC2=CC=C(C=C2)C[C@@H]3COCCN3,9EA1550BECB99B51_26339DF070174957_6035_UN,8.9027195,00000000000000000000000000000000000000000000000000000000010000000000000000100000001000100001000100101000100011010101101011000011110010000110010101010111110111111111110,MMCFMIDBNPSEOM-FRTACKCFSA-N
+COC(=O)C2=C1C=C[NH]C1=CC(=C2)NC(C#N)C3CC3,813D043F16A1CD35_4829B5B5F5106F5A_6041_UN,8.9016,00000000000000000000001000000000000000000100000000000100000000000100000000000001100100000011010010000100010000000000000001010110000101010100001000010001001011111111110,PZVQQCXVMRAFKK-UHFFFAOYSA-N
+N2CCC(N)C(COC1=C(C=C(CCOC)C=C1)Cl)CC2,16C64770FC565EBD_0641D96BCC742EE1_6035_DP,8.900229,00000000000000000001000000000000000000000000000000000100000000000000000000000000101010110011010001001001100101010101101001000011110111100110001110010011110111111111110,MLKSGZSZEPUHBC-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=CC2=C(C=C1)C(C(C)C2)C)[C@@H]4CCN[C@H]34,F72DE43970F2B7B2_94DDEF1786072D74_6035_UN,8.900206,00000000000100000001000000000000000000000000000000000000000000000010000000100000001100000011000011001100110010011101101001000011000000000100010110010111110011101111110,WJAIEYBPSZTGNR-HMKXJXGJSA-N
+O(CC1(F)CNCC12COC2)C3=C(C(C)C)C=CC(=C3)C,F6DF5F80B7AB8575_5802EB8E9DBF2046_6035_UN,8.900069,00000000100100000000000000000000000000000010000000000000010000000010000000100000001100110011000011001000010101001100000011000011110000100110010110000111110101111111110,PMZVKIVMIHOJHQ-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=C(C=C(OC)C=C2)C,AE489C023C7C43D4_7598EB13EFB9AF59_6035_UN,8.899938,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000000011010001101000101111011100001001000011110000100110000111010111110111111111110,TYTCBIUAXJEUSK-FZMZJTMJSA-N
+COCC1=NSC(=N1)NC3=CC2=C(C(C)(CCC2(C)C)C)C=C3,F415DAB967FBAE0B_E1E5D73EFE3F71F8_6041_UN,8.899448,00000000000000000000000000000000110010100000000100000000000000000111000000100101110100101001011110000100011001011001101011001110000001010100011011010101010111101111110,AQRQKFSZKAFVEW-UHFFFAOYSA-N
+NCC2(OC1=C(C=C(C(C)(C)C)C=C1)I)CCCNC2,E40283939E3F2510_741FA0BEC3E3515D_6035_DP,8.899286,00000000000000000000000000010000000000000000000000000100000000000010000000100000101010110011000100101000100100011100001001000011110110100110011111010111110101101111110,WFGBNVOTAVBICK-UHFFFAOYSA-N
+NCC2(OC1=C(C=C(C(C)(C)C)C=C1)Br)CCCNC2,18F832957B26CEF7_D7DAD1EE83F96D44_6035_DP,8.899285,00000000000000000000000000000000000000000000001000000100000000000010000000100000101010110011000100101000100100011100001001000011110110100110011111010111110101101111110,RINPADNGWMBJHL-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC2=CC=CC3=C(C)C=CN=C23,579A5F15337F70D2_628A8A859983C713_6035_UN,8.899235,00000000000000000000000000000000000000000000000000000000000000000110000000100000101001100011010100101100110010011101001011100111110010000110011101011101110111101111110,NDMSBVQTVFVMIR-UHFFFAOYSA-N
+N2[C@@H](COCC1=C(F)C=C(C(=C1)C#N)F)COC2(C)C,2FA1EAE39E41F054_D80E3362D59942EA_6039_DP,8.898702,00000000000000000000000000000000000000000110000000000000010000000000000000100000000100110111100110000000100111111000110011000010100000100110001010000111110111111111110,LMPXDZHWFQTTEE-NSHDSACASA-N
+COCC1=C(C=CC(=C1)[N](=O)=O)NC3=CC2=CC=N[N]2C=C3,EE563C4ED2675D1C_D2E341B89F058B67_6041_UN,8.898634,00000000000000000000000010000000000000000000000001001000100000010100001100000000100100100010011011100110010001000001000111101110001001010100001011101011010111111111110,ARTNZDDNIPBKGQ-UHFFFAOYSA-N
+CCC(OC1=C(C=C(CCNC)C=C1)Br)[C@@H]2NCCC2,06EE8453AAA68112_9851A47D155DA6C6_6035_UN,8.898383,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100110011010110001000100110010111101001000011110110100110001110010111110111101111110,CYDDXABNSMXFFO-GICMACPYSA-N
+C[C@H]1[C@@H](CNC1)OC2=C(C=C(C=C2)CN3CCNCC3)Cl,BD0EB084E2BDD41A_DA96EF8DC36FC8D6_6035_UN,8.8979,00000000000000000000000000000000000000000000000000000000000000000000000000010001001101110001000111101001100110010101101011100011110110100110001111011011110101101111110,LDZJOKGAHFNMEO-MLGOLLRUSA-N
+CC(C)C1=CC=C4C(=C1)N=C(C2=C(C=C[NH]2)C3CC3)[NH]4,03ADE3B43973B6E7_12C2068860DEB065_7005_UN,8.897654,00000000000000000000001000000000000000100000000000000010000000100100000000100101000100000001000010000100010000000000000011000100000100000100001010010111000010001111010,PAHSXCVYWUKLAD-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NC2=C(C=C(OC)C=C2)S,9080A82F1FF7166C_78293E68B3438909_6041_UN,8.897653,00000000000000000000000010000000000000000000000001000010100100011000001100000001010000001000011001000010000000000100000100101111001101010000101111101111100011111111110,RYDXNYATEFCXQU-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1N)COC2=CC(=C(C=C2)C(F)(F)F)C#N)C3,E485128333C7DCF0_3E1A33089B4D3B64_6035_DP,8.897597,00000000000000000000000000000000000000000110000000000000000000000000000000000000001010100011000000101100111101011100001001000111110101110110001111010011110111100111110,SHRGYABNLBAVDJ-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2CC(OC)(C2)OC)C=CC=C3)C4=CSC(=N4)N,F226FC3D553892AD_A346D51D35B74822_6034_UN,8.897126,00000000000100000000000000000000000010000000000100000000000000100100000000010100110111001000010010001100011000001000100011110111100011010100011110001111110111111111110,DQQAQBXVASFTHF-UHFFFAOYSA-N
+CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NC3=CC4=C(C=C3)N(C)C(C(=C4)C)=O)C5,19C801C57124B2C8_350C04000777595E_6041_UN,8.896994,00000000000000000000000000000000000000000000000000000000000000000100000000010000100101100011110010101100110000110101111011100101110101010110011111011111011010101111110,AYFFFLZKXIQQOW-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)CCC2)C(=O)C3=C[NH]C4=C3C(=CC=C4)[N](=O)=O,20B8738512B15195_79A074CECADED8E5_6038_UN,8.896992,00000000000000000000000010000000000000000000000001000000100000010100001100000000100100000000001011000110010000000100001101111111011001011100101111111001101011110111110,TUWHMAPCNGLCBR-UHFFFAOYSA-N
+N2C[C@@H](OC1=CC(=C(N)C=C1)OC(F)(F)F)C[C@@H]2CN,37E3C05A798194FC_E218A1F840582F23_6035_DP,8.896847,00000000000000000000000000000000000000000010000000000010000000000000000000000001001110000111000111001000101100011100000001000011110111110110001110000011110111110111110,ZZCABNQAIXGYKB-APPZFPTMSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=NC=C2)N4CCCN(C3=CC=C(C#N)C=C3)CC4,DD67DC88C752758B_D6317DE940E86218_6026_UN,8.896402,00000000000000000001000000000000110000000100000000010001001111101101000001010001110001101000001000101110011000011000011011101100111001011110001001011000010010110111110,FNKQUULCFBAIEB-UHFFFAOYSA-N
+COC2CCN(CCOC1=C(C)C=C(C(=C1)C)C(C)(C)C)CC2,F8D5A9DCC9074464_E1A8873077C78B82_6035_UN,8.896368,00000000000000000000000000000000000000000000000000000000000000000010000000110000000001100000010101101000000011011100101001100011110010000110010111011110110101111111110,KPEGKAMGAHTGFK-UHFFFAOYSA-N
+CC1=NC=C(C=C1)C2(CNCC2)OC4=CC(=C3OCOC3=C4)Cl,8EF89B824567FAA0_D72A23CDC77CC32B_6035_UN,8.896187,00000000000000000000000000001000000000000000000000000000010000100110000010000000001100110111000111101101110101011100001011010111010010100110001111110001110011111111110,LIFWBRHPKQNPPL-UHFFFAOYSA-N
+NCC1(CCC(F)(F)CC1)OCCOC3=CC2=C(C=C(N)C=C2)C=C3,74876CA6CE22E86E_D2A5BF5A4AD70F5B_6035_UN,8.896122,00000000000000000000000000000000000000000010000000000000000000000010000010000000001010010011000100001100010101001100001000000111110111110010001101010001110111110111110,GJHFVCPZWHIGIG-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC3=CC2=CC=CC(=C2N=C3)C,B24B412359903C9C_50A68F558E478DF0_6035_UN,8.896061,00000000000000000000000000000000000000000000000000000000000000000110000000100000101101100011010111101100110010011101001011100111110010000110011101011101110111101111110,FLQZVPNWMBYUBT-UHFFFAOYSA-N
+O(C(=O)C2=C1C=CC=CC1=CC(=C2)C#N)CCC3CCNCC3,DA1BAB999FB5FC44_207172AB70282DEA_6031_UN,8.896008,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001000000101100110001010000001001010110110010000110001001010001011101110111110,WJPIUOFDLMDCDO-UHFFFAOYSA-N
+O([C@@H]1CCCC[C@H]1C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)N=CC(=C4)Br,A0BB41BC9FC367BD_93AEB54E0BE6C24F_6035_UN,8.895784,00000000000000000000000000000000000000000000001000000000000000100100000000000000000000010000000000100101010100000100001001000111110010100100000101010010100011000111110,XBUXVBIKOSBKTN-PZJWPPBQSA-N
+O([C@@H]1CCCC[C@H]1C2=CC=C(C=C2)F)C3=CC4=C(C=C3)N=CC(=C4)Br,1E424090271F2523_45C779CC1C29F52A_6035_UN,8.89578,00000000000000000000000000000000000000000010001000000000000000100100000000000000000000010000000000100100010100000100001001000111110010100100000101010010100011000111110,SGSKIMPVWIAISX-PZJWPPBQSA-N
+FC1=CC2=C(C=C1)C(=NC=C2)NC4=CC3=C(N(C)CCO3)C=C4,AE817D8D156E74E6_944D281FCCC98AA4_6041_UN,8.895766,00000000000000000000000000000000000000100010000000000000010000000100000000010100000001110000010101101100010101010101101011100100000011110110001011011001110011101111110,PLUAIOPYAJRAGD-UHFFFAOYSA-N
+N1CCC[C@H]1COCC2=CC(=C3C(=C2)OCO3)C4=C(C)[N](N=C4)C,7473374CEC6A1A7B_8D238CB135A7A456_6039_DP,8.895499,00000000000000000000000000001000000000000000000000001000010000100100000010010000101100100011011110001100110001010100001011111110110000000110001010111111110111111111110,WWIVEHBBARKORW-AWEZNQCLSA-N
+C2(=C1C=C[NH]C1=CC=C2)NC3=C(C(=CC(=C3)F)C#N)[N](=O)=O,B963AE91FBB2186A_84F456BEC79CCAC3_6041_UN,8.895079,00000000000000000000000010000000000000000110000001000100100000010100001100000001100100010000001011000110010100000000000101101100001101110100001011001011000010110111110,LSPWQLWWMDTZET-UHFFFAOYSA-N
+F[S](=O)(=O)CC1=C(C=CC=C1)NC3=CC2=C(OCCNC2)C=C3,98C0D3D307984271_C1379EAB5C1AFC49_6041_DP,8.894991,00000000000000000001000000000001000000000010000000010001011011000001000001000000001000101011000101001110111101011100001011001100111111111110001011111011110111110111110,CXEWRWPVOFHJEK-UHFFFAOYSA-N
+CN1C2=C(OCC1)C=C(C=C2)NC(=O)C4=C3[NH]C=CC3=CC(=C4)F,B34E73D65EBADA99_8CFC6ED8432978C6_6038_UN,8.89478,00000000000000000000000000000000000000000010000000000100010000000100000000010000100101110000110111101100010101110101111011100100000111110110001011011001111011111111110,AMPLWAWKFRPLGH-UHFFFAOYSA-N
+NCCN3CC[C@H](OC2=CC1=C(C=C(N)C=C1)C=C2)C3,81FB5EC7881D305A_DCCE82B4078D85DB_6035_UN,8.894665,00000000000000000000000000000000000000000000000000000000000000000000000000010001001111100001000111001100110000010100001001100111110111010110001101011001110111100111110,GSWMDMCIIICAGD-INIZCTEOSA-N
+N3C[C@@H](OC(C1=C[NH]C2=C1C=C(C)C=C2)=O)[C@H](CC#N)C3,FCA06460B04B3F45_1808A890726A7E37_6038_DP,8.8945875,00000000000000000000000000000000000000000100000000000000000000000100000000000000001100100011000111001100010000010000000011010111110110000110001100000011111111111111110,PTTIPMIXGQZUAR-IAQYHMDHSA-N
+CC1(C)CCC2=C1N=NC(=C2)NCC3=C(N(CCOC)C)C=CC=C3,2786D6530377DA0E_F7ED16E0AAAB00B5_6041_UN,8.894476,00000000000000000000000000000000000000100000000000001000000000000110000000100101101001100001011110101100010011011001101011101110100011010110011011011111010111101111110,MYKUZAZRTLOSOS-UHFFFAOYSA-N
+N2CCC(CC=CC1=C(OC)C=CC(=C1F)Br)(CC2)C#N,46EF1BCC82CA20DA_3DF2402C8B6FE83B_7019_DP,8.894456,00000000000000000000000000000000000000000110001000000000000000000010000000000000001000110001010000111000100100011100001001000011110000100110001111010011110101101111110,PSYSTPIPKCEBBK-UHFFFAOYSA-N
+CN(C)CC1=CC=C(C=C1)COC2=CC(=CC(=C2)Br)C,936B96F5EF2C0E52_36117688ED38E539_6035_UN,8.894372,00000000000000000000000000000000000000000000001000000000000000000000000000100000000001110000010000001000000101000101000000100111000000100010010101001100110101101111110,JPJXPSYWURVVNP-UHFFFAOYSA-N
+CC1=C(C4=C(N1C[C@@H]2CCCN2CC3CC3)C=CC=C4)C5=CCNCC5,80A0A5B1F8EBCE1E_184CFCA8C336B4FE_6034_UN,8.893519,00000000000000000000001000000000000000000000000000100000000000100100000000011001001101100001000010111100110010010000101011100100110000000110001011011011010110101111010,XQTRQTIFGBLDIS-FQEVSTJZSA-N
+COC(=O)C2=C1C=CN(C1=CC(=C2)N)CC4COC3=C(C=C(N)C=C3)N4,3E89439FECC44BF6_9C3D24C9A8ED3E14_6034_UN,8.893208,00000000000000000000000000000000000000000000000000000100010000000100000000010001100111000001010111101100110001010100000011110110000101010110001011101001111111111111110,KVEJCVJACZTCAG-UHFFFAOYSA-N
+N#CC1=CN(C=C1)CC(C)(C)C2=CC3=C(C=C2)CCCC3,61934B4952DF7D19_BCA5FEEEE82D7B63_6034_UN,8.893202,00000000000000000000000000000000000000000100000000000000000000000110000000110000100101000000000010001100010000001001001001100100110000000100001011011100010100101111010,OKMBKVZDICIQOF-UHFFFAOYSA-N
+N3CCC(CNC(=O)C2=CC1=C(C=C(C(=C1)Cl)Cl)[NH]2)CC3,72BC040F175BAF0F_17B862995FFED0E1_6038_DP,8.893047,00000000000000000000000000000000000000000000000000000010000000000100000000000001001100110011100110101101110100110000011011000100110100100110001011010011011110100111110,WNFYVLGMNIHYGP-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=NC(=CS2)C3=CC=C(C)C=C3,C4FE9C646CE3C6AD_9FD5879FE1EA32AE_7022_UN,8.8930235,00000000000000000000000000000000000010000000000100000000000000100100000000000100010100101001010110000000001000000101000011000111000001010100011111000111110111101111110,LWMCMWXQYKZCFD-UHFFFAOYSA-N
+NC2=CC1=C(C=CC=C1)C(=O)N2CC3(CCNCC3)C(F)(F)F,612A3E8EE35AC94E_3E2C6794D9FBE74C_6034_UN,8.892905,00000000000000000000000000000000000000100010000000000000000000000110000000010100001011100011100001101100111100111100011011100101110101110110001111011011011110100111110,BUEZEPXHZORVRG-UHFFFAOYSA-N
+C[N]1C=C(C2=C1C=CN=C2)NCC(C)(C)C3=CC4=C(C=C3)OCCO4,5B4A7FEE9C713024_E15D58DDB9DF7AC2_6041_UN,8.892903,00000000000000000000000000000000000000000000000000000000010000000110000010110001101101000000010010101100010001001101001011100100000011010110011011011101110111111111110,WBHYFBOXZRIHHD-UHFFFAOYSA-N
+O(CCC1=CC(=CS1)Br)C2=C(C=C(CN)C=C2)[N](=O)=O,0EC3605D4F22C31B_9233359D0718E7EC_6035_UN,8.892768,00000000000000000000000010000000000010000000001001000000100000010000001100000000011110011100001110001010000101000100001100101111001011110110001110111011110111110111110,GMSGQEDPRNZDLT-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C=CC(=N2)NC3=C(N(C)C)C=CC(=C3)[S](=O)(=O)N(C)C,71A3293EA94C6782_B48111F6497DB668_6041_UN,8.89253,00000000000000000000000000000000110000100000000000010001001111001101000001100101010001101000011001100110011000001100010001101111001001011100011111101111100011111111110,ZEMNQBZIWGVYFY-UHFFFAOYSA-N
+O(CC1NCC[S](C1)(=O)=O)C2=CC4=C(C=C2)NC3=C(C=CC=C3)C4=O,BFEBEB22B389E8A4_C19E4D9EA8291B22_6035_UN,8.892487,00000000000000000000000000000000000010000000000000010001001011000101000001000000001000101001000101101110110001011100001011001111111110001110101101111001111111110111110,NPNYNOZZMVTOTR-UHFFFAOYSA-N
+NCCC1=C[NH]C2=C1C=CC=C2C(=O)OCC3=C(C=C(C=C3)C#N)F,CB81AE1AA950A8F1_085B0EFCB77D113B_6031_UN,8.892072,00000000000000000000000000000000000000000110000000000000000000000100000000000000001110010011000011001100110101010000001001010110000100100110001011010011011111110111110,HIKDNPNVEMCFJN-UHFFFAOYSA-N
+NCCC1=C[NH]C2=C1C=CC=C2C(=O)OCC3=C(C=C(C=C3)C#N)Br,E923A278442E9532_958AFA83B0801687_6031_UN,8.892067,00000000000000000000000000000000000000000100001000000000000000000100000000000000001110010011000011001100110101010000001001010110000100100110001011010011011111110111110,RPEZHELIEDXQAO-UHFFFAOYSA-N
+NCCC1=C[NH]C2=C1C=CC=C2C(=O)OCC3=C(C=C(C=C3)C#N)Cl,A296A0EB0228AF3D_E5FDA7CBA0AE4070_6031_UN,8.892063,00000000000000000000000000000000000000000100000000000000000000000100000000000000001110010011000011001101110101010000001001010110000100100110001011010011011111110111110,OCXJACICPKVXSW-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)NCCCC2=C(C)C=NC=C2)C#N,1216AB556759D756_2C53C2AC9B844983_6041_UN,8.891949,00000000000000000000000000000000000000000100000000000000000100001100000000000000011000001010010000101000100010010000101001000100000001010100001011010111010110101111010,JMLYUMWKCKOKJY-UHFFFAOYSA-N
+CCCN1C(=O)C(=O)C2=C1C=CC(=C2)NC3=C(C=C(OC)C=C3)[N](=O)=O,16FAE099D79F155F_E381EA8CD760DA54_6041_UN,8.891893,00000000000000000000000010000000000000000000000001000000100000010000001110010001000101000000111111001110010000110111011101101111001001011100101111111111111111111111110,YAFCBDMUIAZDAQ-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCN2)CC3=C(N)C=C(N=C3)Cl,D74830FF67097CA4_00F4134756128FE9_6031_UN,8.891771,00000000000000000000000000000000000000000000000000000000000000000100000000000000101110010011000011101101110101010000001011010110000101110110001011010011011111110111110,BBFLCNJGKXSFDP-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C#C)NCC2=C(C[S](C)(=O)=O)C=CC(=C2)F,7D8DCE13846A83FF_7E71DD7E1DB6C3F2_6041_UN,8.891737,00000000000000000100000000000000000000000010000000010001001011000001000001000000001000111001010001001010000100001101000000001111011011111010000111101111110111111111110,ANIUSCDPBYPQLA-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)CCC2)[S](C4=C3C=NC=CC3=C([N](=O)=O)C=C4)(=O)=O,4BBEFF2C06E69D63_3C397763B7A1F235_6029_UN,8.891126,00000000000000000000000010000000110000000000000001010001101111011101011101000000011000001000001010101110011000001000011101101100111001011100101011111001010110110111110,SKBDYMTYDDVJPX-UHFFFAOYSA-N
+N#CCC1=CC2=C(C=C1)[N](C=C2)CC3C(CCNC3)(C)C,1D484EF3E46954EA_B0D8CEBF5F326368_6034_DP,8.890921,00000000000000000000000000000000000000000100000000000000000000000110000000110000101101100011000010101100110000011001101011100100110000000110001001011111010110101111010,BZZUZNMEQCEIIN-UHFFFAOYSA-N
+COC2CNC(C)(COC1=C(C(=CC=C1C#N)F)F)C2,91ED69121B851766_CA17CB391FA0C54A_6003_DP,8.890659,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100010011010111001000100111011101100001000011110010100110001110000111110111111111110,YADVRUFKOYZBDD-UHFFFAOYSA-N
+O(C1(CNCC1)C#C)C2=CC(=C(C=C2)F)NCC(F)(F)F,61CF65C797363874_3A58CA35E7442597_6035_UN,8.890342,00000000000000000100000000000000000000000010000000000000000000000010000000000000001100110011000111001000101100011100001001000011010111110110001110010011110111100111110,PJWMVRRYZSNTFN-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N3CCOCC4=C3C=C(Br)C=C4,67715AD0FE45E3EC_DD5ACC8C7A162E15_6026_DP,8.889762,00000000000000000001000000000000110000000000001000010001011111001101000001010000110100111000011111001110011101011100011011101111111010111110101111111001110011111111110,DGDPKSFGHJHVJV-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NCCC3=CC=C(OC)C=C3,6E5D806B1AD5A81B_068DF843753565B8_6026_UN,8.888784,00000000000000000000000000000000110000000000000000010001001111001001010001100000011001101000011000001110111000011100011000101111001001011000011101111101110111111111110,LXGGISUEXXWNIL-UHFFFAOYSA-N
+FC2=C(C=C1C=CN=CC1=C2)N[C@@H]3CCC[C@@H]3OC4=C(C=CC=C4)F,7EBDB6ECE0C41773_C85172B40452F6B1_6041_UN,8.888745,00000000000000000000000000000000000000000010000000000000000000000100000000000000000000010011000110100100110100010100001001000111010011110100001111010011100011100111110,BZHDMKVMUQTJGM-XLIONFOSSA-N
+N(C1=CC=C(C=C1)N2CCC2)C(=O)CC3=C[NH]C4=C3C=C(C=C4)[N](=O)=O,52D6EAE4B88C0132_A8A546297912AF6C_6038_UN,8.888499,00000000100100000000000010000000000000000000000001000000100000110100001100010000000101100011101010001110110000110000011111101100001111011110001001111001011110110111110,NDWLZGXHOSDIRJ-UHFFFAOYSA-N
+N3=C(C1=CC2=C(C=C1)CNCC2)[N](C4=C3C=CC(=C4)Cl)C(=O)C5=CC=C(C=C5)O,5E7D13B8F91DB9FD_34FE3D3DF08AC959_7013_DP,8.888406,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101110001100011101101110100110100011011100101110100100111001111011011111011110111110,LUUZSISBGXOJPU-UHFFFAOYSA-N
+CC(C)(OCCOC1(CCOCC1)C#N)C2=CC3=C(C=C2)[NH]C=C3,A689FD63A9A87BE5_D967F2CD9233426F_6039_UN,8.888084,00000000000000000000000000000000000000000100000000000000010000000110000010100000000100100100000110100100010011001000101011000111110010000110001101110101110111011111110,PTBRLCSWAZWPSM-UHFFFAOYSA-N
+COC1=NC=C(C(=C1)CCOCC2=CC=C([Si](C)(C)C)C=C2)N,3BC15874D2E53CB8_028163037BA01B9F_6039_DP,8.886835,00000000000000000000100000000010000000000000000000000000000000000100000000100001000010100011110000100000000001101100011001000111010011010110011111011111010111111111110,SFSYSLFOWXQLSM-UHFFFAOYSA-N
+CN1C2(CC(C1)C2)CNC(=O)C4=C3N=N[NH]C3=CC(=C4)F,B10C10DF53A7D234_AB706DB7BB41B276_6038_UN,8.886703,00000000000100000000000000000000000000000010000000001000000000000110011000010101101101110011111011001100010110111001110011101100111100100110001000001011011110101111110,AZQGAVABBDGFAS-UHFFFAOYSA-N
+ClC1=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3CC4=CC=CC5=C4CNCC5,3B2C1A7C6B157148_0483D83BC0534669_6034_DP,8.886501,00000000000000000000000000000000000000000000000000000000000000000100000000010000001001110001000001101101110100010100001011100101110000100110001111011001111110100111110,AZILHBZRUMOFFP-UHFFFAOYSA-N
+ClC1=CC2=C(N=C1)N(C(=O)C=C2)CC[N]4N=C(C3=CC=C(CCC)C=C3)C=C4N,F0FDFF082AA7FB58_3F52214C83395D18_6034_UN,8.885838,00000000000000000000000000000000000000100000000000001000000000100100000000010101100111010011101011101101010100110111011011101101000001110110001111011011011110101111110,TVEQBSSEZVPEGH-UHFFFAOYSA-N
+CSCCCCCOC1=C(C=C(C=C1)CN2CCNCC2)Cl,44138F463D34B7FB_EA66D7C3FE65ECE6_6035_UN,8.885539,00000000000000000000000000000000000000000000000000000000000000000000000000010001001001111001010000101001100111010101101011100011110010100110001111011011110101101111110,INBVEXQCKYYQMJ-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=C(C=CC=C3)CC#N,8840EB8C6074E754_F6AD259623408690_6035_UN,8.885312,00000000000000000000000000000000000000000100000000000000000000100010000000000000001100100011000111001000100000011100001001000111010010000110001111010011110101101111110,YJZPJEGBGRNALF-UHFFFAOYSA-N
+OC(=O)C3=CC1=C(C(=CC=C1NC2C(CC)CN(C2)C)F)[NH]3,23A0AD1DE1799177_41F35A8CF5A85115_6041_UN,8.885161,00000000000000000000000000000000000000000010000000000110000000000100000000010001100101110011010110001100110110010011100011110100110101110111001000001111011111111111110,DUQJODMFFPBAFK-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)[S](=O)(=O)NC2=C(OC)C=CC(=C2)CN(C)C)C,63D1385C5303A4F7_50AC0BD8306D9C2B_6026_UN,8.884346,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101001011100001010001000001101010000101111001001011000011111101111110111111111110,CBFXFPAJMXJEEI-UHFFFAOYSA-N
+CCC2=CC(=O)C1=C(C=CC(=C1)N)N2CC3(CNCCC3)F,77C68652AA5AA1C3_196975056E716D90_6034_UN,8.884335,00000000000000000000000000000000000000000010000000000000000000000110000000010000101011110011000001101100110110011110001011100101110101110110001111011011111110101111110,QISJZJQFPMWEPE-UHFFFAOYSA-N
+CC1=C(C(=CN=C1)[N](=O)=O)NC3=CC2=C(C=CC(=N2)OC)C=C3,73AD241AD22F76B5_13FE6F3B6AE89327_6041_UN,8.884115,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000000111001100110010000100100010111101111001001010100001111101111000011111111110,BJVWVBUDXUQUKI-UHFFFAOYSA-N
+CN2[C@H]1CNC[C@H]1C[C@@H]2COC3=C(C=C(C=C3Cl)F)C#N,09FAAA4F7F0D0FCC_1F031E3DCE73B59C_6035_UN,8.883869,00000000000000000000000000000000000000000110000000000000000000000000000000010001101101110011010111001101010111010100100011100011110000100110001110001011110111101111110,BBQILVBBANWBJG-QKCSRTOESA-N
+CN2[C@H]1CNC[C@H]1C[C@@H]2COC3=C(C=C(C=C3Br)Br)C#N,E85A69C66AC0F6AB_929BE713CD3A6460_6035_UN,8.883862,00000000000000000000000000000000000000000100001000000000000000000000000000010001101101110011010111001100010111010100100011100011110000100110001110001011110111101111110,HYAAKFJQPHLYTJ-QKCSRTOESA-N
+CSCC1=CC(=NC=C1)NC2=C(C=C(N(C)C)C=C2)C,C75B939EC5DC8706_58D17E9742C9833E_6041_UN,8.883568,00000000000000000000000000000000000000100000000000000000000000000100000000100100000001101001010000100000000000000001000001100100000001010100011011001111010110101111010,IXYMGARSPWWATF-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC2=CC(=CC(=C2)Cl)C#N,FA69FC4BE9333450_9A3C68005920F33D_6035_UN,8.883222,00000000000000000000000000000000000000000100000000000000000000000000000000010001001001110011000100101001100110010111101011100011110010100110001101011111110111101111110,IDYPVWRVZGQISB-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC2=CC(=CC(=C2)F)C#N,7DCFD987A54F50CF_B7202F447A32A49A_6035_UN,8.883206,00000000000000000000000000000000000000000110000000000000000000000000000000010001001001110011000100101000100110010111101011100011110010100110001101011111110111101111110,XQNPLPLAYCJKGH-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OCC1=CC=C(C=C1)C2=CSC=C2)CN3,82A342F2541AF6C4_59669738505D1068_6039_DP,8.883177,00000000100100000000000000000000000010000000000000000000000000100000000000000000001100101011010111001000100001010001101011000111110010000110000100010011110111111111110,WPVTXYZPYQCKJB-IAGOWNOFSA-N
+CC[C@H](OC1=C(C=CC=C1Br)CC#N)CN2CCNCC2,7E914DA1F2926907_B63917F722084ECE_6035_UN,8.883038,00000000000000000000000000000000000000000100001000000000000000000000000000010001001001110001000100101000100100010110101011100011110010100110001111011011110101101111110,QGRWNSZIQRIPCZ-AWEZNQCLSA-N
+O(CC1C(CNCC1)(F)F)C2=C(C(C)C)C=C(C=C2)C#N,314FC675D626DD77_CB0AFF205381AB75_6035_UN,8.882842,00000000000000000000000000000000000000000110000000000000000000000000000000100000001000110001000000101000100101011100001001000011110000100110001111010111110101101111110,HAQKNFNLCDBHCI-UHFFFAOYSA-N
+NCCC2=C1C=CN(C1=CC=C2)CCCNC4=N[N]3C(=CN=C3C=C4)I,F709A9140343D3C5_075C2341E55B88DB_6034_UN,8.882667,00000000000000000000000000010000000000100000000000001000000000000100000000010101101111010010001010101100110100010000001011101100000101110110001001011001010110100111010,TXUHRHOZEAOXCO-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NCC3=CC=C(N(C)C)C=C3,C630436ABF161F87_FF200ADC07765C29_6026_UN,8.882567,00000000000000000000000000000000110000000000000000010001001111001101010001110000011101101000011010001110011000001000010001101100001001011100011001001101010110111111110,PGZFJGSJHSOFCC-UHFFFAOYSA-N
+OC(=O)C3=CC1=C(C=C(C=C1F)NC2CCNCC2)[NH]3,90A075960A4D075B_59F880ABE08A96C8_6041_DP,8.882323,00000000000000000000000000000000000000000010000000000110000000000100000000000000101100110011000110101100110100010000001011010100110101110111001001010001011011110111110,JZSSMVWWUVDVTJ-UHFFFAOYSA-N
+O(C(=O)C1=CC3=C(C=C1)NC2=C(C=CC=C2)C3=O)CCNCCCN,7E6A8CEC1B94BBC5_AEE739A23A94888B_6031_UN,8.881695,00000000000000000000000000000000000000000000000000000100000000000100000000000000101010100010000101101100110001010100001001010111110110001110001101110001111111110111110,OBGBYDNAHKOFOV-UHFFFAOYSA-N
+COC(=O)C1=CC(=C(C(=C1)N)F)C2=CC(=C(C=C2)Cl)COC,7F2AC2A5F026F53B_F0C7C0800F9A134B_6005_UN,8.881218,00000000000000000000000000000000000000000010000000000000000000100000000000000000000010110000010000000001000101000001000000010110000001110000000011100111011111111111110,UMHYVKPYFXUEES-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2C#N)NC3=C(OC)C=CC(=C3)N4CCC[S]4(=O)=O,2705BB72A21CA985_E84A0D740F6F0CBE_6041_UN,8.880867,00000000000000000000000000000000110010000100000000010001001011100001000001010000110100001000011110001110011000011100011011101111011011011110001111111011110011111111110,HZKBHACISNRACF-UHFFFAOYSA-N
+[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N3CCNCC3C4=C(OC)C=CC=C4,5609ABAB9DD6C9CB_E8516820F9BD68AB_6026_DP,8.880791,00000000000000000000000000000000110000000000000000010001001111101101000001010001111100101001011011101110111000011100011011101111111100001110001111111011110011111111110,ODWFGSIWUMWOED-UHFFFAOYSA-N
+COCC(C)(OC2=NC(=C1SC=CC1=C2N)C)CC3=CC=C(C=C3)Cl,497840CB4E516AD3_81E21A820DA9B2D1_6035_UN,8.88051,00000000000000000000000000000000000010000000000000000000000000000110000010000001010110111000110110100101010111101101010011000111000011110100011111000111110111111111110,JZQCZJQOQFFVHQ-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC2=CC(=C(CN(C)C)C=C2)C,34A2CD94D8023361_F6166804241E0486_6026_UN,8.88032,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011000001010001001001001110000101110001001011010011011101111010111111111110,RYLIGODDUDCJCW-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)C=C)NC2=CC3=C(C=C2)C(N(C)CCN3C)=O,A7046A3D098317A6_26DE6190E1945FF1_6041_UN,8.879707,00000000000000000001000000000000001000000010000000000000000000000000000000010001100001110000110001011100010100110001111011100101000001110110001111011111011010101111110,DFKALERPDOFVPT-UHFFFAOYSA-N
+CC2=CC1=C(C=C(C=C1)NCC(SCC)(SCC)SCC)[NH]2,EF7C4D7C591EF6CC_2C745CA9E0DAE28A_6041_UN,8.879648,00000000000000000000000000000000000000000000000000000100000000000100000000000000111100001001000010001100011010001010000001000100110101010110011000000101010110101111010,XXXQYSOAVAHQRK-UHFFFAOYSA-N
+FC1=C(N=CC(=C1)NC2=CC=C(CCSC)C=C2)C#N,8AAE23D3B6A14C60_BF35D464AF7DD933_6041_UN,8.879629,00000000000000000000000000000000000000000110000000000000000000000100000000000001000000111000010000100000000100000001101001000100000001110100001011010011010110101111010,BQJKJMWLIOZWOO-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F)F)F,3DA7C5629F89B9DD_BDA625A3D753E7E5_7022_UN,8.879383,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101110011010010001000000100010000100011100100110001110110001010001111010110101111010,ACJRSORKOILGKM-STQMWFEESA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCCCN3CC[S](CC3)(=O)=O,36E5A20E543A3962_361C33E10D418F58_6041_UN,8.879318,00000000000000000000000000000000000010000100000000010011001011000101000001010001101101101011000011101110110000011000001011101101111111011110001101011001010110110111110,WMHCBRBMGVJINT-UHFFFAOYSA-N
+C1(=C(N=CN=C1)OC2=CC3=C(C=C2)OCO3)NC4=CC(=C(SC)C=C4)C#N,270FFD331809FBB6_6C822EEF48AE733F_6041_UN,8.879145,00000000000000000000000000001000000000000100000000000000010100001100000010000101110100001100110111100100010001100100010011010111000001010100001111100011110011111111110,WOSGPQZITSMEOM-UHFFFAOYSA-N
+CCC(COC1=CC(=NC2=C1C(=N[N]2C)C)Cl)C3=CC4=C(C=C3)CCCC4,AABD66E1019C9A1D_6DB62BEA243CFC44_6035_UN,8.87902,00000000000000000000000000000000000000100000000000001000000000000100000000010101100100010000011011100101010101000110101011101111110000100100011111011100110111101111110,HREUNPPCNNDMPW-UHFFFAOYSA-N
+CC(C)(OC2=CC1=C(N)C=CC(=C1C=C2)C#N)C3CNCCC3,D4CC8C85F5CDDF72_27CA7D2A762B26BE_6035_UN,8.878988,00000000000000000000000000000000000000000100000000000000000000000010000000100000001010100011000001101100110010011100101001000111110101010110001101010101110011101111110,PBOYGPLGDMFPKC-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NC2=C(CC)N=CC=C2C)F,F8B9C480E65A3CB7_1D429BF8B4A089F5_6041_UN,8.878873,00000000000000000000000010000000000000000010000001000000100000010100001100000001000000010010001001100010000110010010000101101100001001110100011011001111000110111111110,JTWKMTUFJPJJLP-UHFFFAOYSA-N
+N([C@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C5=C4[NH]N=NC4=NC=C5,88CEFC7E7CCD32DD_4AD6CFAE85181A72_6038_UN,8.8788395,00000000000100000000000000000000000000100010000000001100010000000110011000000101100100010001101011100100110100111100011011001100111111100100001011010001101011110111110,HUGNZTZQGSDUAG-CYBMUJFWSA-N
+BrC1=CC2=C(C=C1)[N](C(=C2)C#N)CC3(CC34CCNCC4)C#N,BDE168264044BDB2_66D0EE4313A93C32_6034_DP,8.878445,00000000000000000000001000000000000000000100001000000000000000000110000000010001101101110001000010101100110100011000001011100100110000100110001011011011010110100111010,SSBXWQBZPQAPJO-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)[N](C(=C2)C#N)CC3(CC34CCNCC4)C#N,5BDFCBEA84743DAA_7E6AAFB146D623B1_6034_DP,8.878443,00000000000000000000001000000000000000000100000000000000000000000110000000010001101101110001000010101101110100011000001011100100110000100110001011011011010110100111010,KTNYSDDQGLHVGK-UHFFFAOYSA-N
+CCC(OC3=CC=C(C1=NC2=C([N]1CC)C=C(C=C2)Cl)C=C3)CN4CCNCC4,DDE7D7F7B4D908F1_90A56F90399A968C_6035_UN,8.878258,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101110001000110101101110100010110101011100111110010100110001111011111110111101111110,GYBVBXMZXIOPMG-UHFFFAOYSA-N
+CCOC1=CC2=C(C=C1)N=C(C=C2)NC3=C(C)C=CC=C3[N](=O)=O,44C90ED5ED5EAF1F_E8FA98CB76C2C531_6041_UN,8.878096,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000001001100110010001000110000101101111001001010100001111101111110111111111110,KOBZBOLSLMRKLC-UHFFFAOYSA-N
+O(CC1CNCCC1(F)F)C2=C(C(C)C)C=C(C=C2)C#N,13D3CEAC941E2021_C7D55F69D73D408F_6035_UN,8.8776865,00000000000000000000000000000000000000000110000000000000000000000000000000100000001000110011000001101000100101011100001001000011110000100110001111010111110101101111110,QXXIVGBYCCUIHY-UHFFFAOYSA-N
+FC2=C1C=CN(C1=CC=C2)CC3(CN)C4(C3)CCOCC4,3F99676B6BBAA2C0_B725FA5D001CB309_6034_UN,8.877314,00000000000000000000001000000000000000000010000000000000010000000110000000010000101111110011000010101100010101001000001011100100110010100110001001011001010111100111110,ZBLCZPMJSDVJPF-UHFFFAOYSA-N
+ClC2=C1C=CN(C1=CC=C2)CC3(CN)C4(C3)CCOCC4,9AFE047C495A2F91_55F2657349B916AF_6034_UN,8.877313,00000000000000000000001000000000000000000000000000000000010000000110000000010000101111110011000010101101010101001000001011100100110010100110001001011001010111100111110,ADFSACWJCUKUIY-UHFFFAOYSA-N
+BrC2=C1C=CN(C1=CC=C2)CC3(CN)C4(C3)CCOCC4,B22AAE69667F48B0_9FA4BD22C771B463_6034_UN,8.877312,00000000000000000000001000000000000000000000001000000000010000000110000000010000101111110011000010101100010101001000001011100100110010100110001001011001010111100111110,IJZZTLSVQKRHMS-UHFFFAOYSA-N
+FC1=CCCN(C1)[S](C3=C2C=C[NH]C2=CC(=C3)C#N)(=O)=O,4473163EFBFBEA74_50CF27A336E87D23_6029_UN,8.877261,00000000000000000000000000000000110000000110000000010001001111001101000001011000010100111000001010111110011100011000011011101100111000101110001001011001010010110111110,HGXOJYXETLKWAA-UHFFFAOYSA-N
+COC(=O)[C@H]1NC[C@@H](C1)OC2=CC3=C(C=C2)C=C(Br)C=C3,279343A37905A5B2_938D75F5F042D43E_6035_UN,8.877238,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100010011010111001100110110010100000001010111010010100100000101100001111011111111110,NFPRBSLAZUWOJI-CABCVRRESA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NC2=CC(=CC(=C2)CC)CC,E18643BAE677A23E_ABC2792124A85D04_6041_UN,8.877158,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000000001011100000010000000000110000100101111101001010000011111101111100111111111110,AYYQIYRHQYWSQD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCC2)NC3=CC4=C([N]3C)C=C(C=C4)Br,CCD471F0083F9D16_A8E7D7BCBA151FD3_7022_UN,8.876812,00000000000000000000000000000000000000100000001000000000000000000100000000010100000101010001010010000100010100000000001001100100010001110100001011011011000010101111010,MAMAMNZEBKZXAH-UHFFFAOYSA-N
+CCC(OC1=C(C=C(OC)C=C1)CC2CCNCC2)C#N,B32E5C02DBAF951A_78CAB09EC52BA3B0_6035_UN,8.876585,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001010100101000100000010110001001000011110010000110001111010111110101111111110,WHURBSJXLDFBRO-UHFFFAOYSA-N
+N3CC(OC1=C2C(=C(N)C=C1)C=CC(=C2)Cl)(C3)C4=C(C=CC=C4)F,458884C6EABF8334_BC6C314AECE89830_6035_DP,8.876452,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001101010100001100000001000111000111110110001111000011110011100111110,DVPXNHFCCIJJNX-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NC2=CC=C(C(=C2C)OC)C,C465A3DAA64A0793_22A3CA8ED8489FB4_6041_UN,8.876122,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000000000011101000010000000000100000100101111001001010000111111101111100011111111110,WZWLNZWPQVMTQS-UHFFFAOYSA-N
+FC2=C1C=CC(=NC1=C(C=C2)F)NC3=C(OC)C=CC=C3[N](=O)=O,9323A4CBEDFA1BFF_F1F6A9A4398ACE08_6041_UN,8.87555,00000000000000000000000010000000000000100010000001000000100000010100001100000101000000010000011101100110010100000100000101101111001001110100001111101011100011111111110,XCLGLFOZFPMOGK-UHFFFAOYSA-N
+FC2=C1[N](C=CC1=CC(=C2)Cl)CC45OC3(CCNCC3)C(C4)(N)C5,DD512D322EC5B520_DA71D4456BF9E73B_6034_DP,8.875502,00000000000100000000000000000000000000000010000000000000010000000110000000010000001111110011000111101101110100011000001011100100110111100110001001011001110111100111110,VQCDMDCANFDJMV-UHFFFAOYSA-N
+CN(C)C1=CC(=C(C=C1)Br)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3,796A10907FF9E937_2A047BC1CE25DC09_6026_DP,8.875427,00000000000000000001000000000000110000000000001000010001011111001001010001100000011001111001011101001110111101011100011011101100111111111110001011111111110011111111110,DUFSNSOWQIPXAR-UHFFFAOYSA-N
+NCC4(OC1=CC2=C(C=C1)[NH]C=C2CC#N)CCC3=C(C=CC=C3)C4,B8B3736D7923F308_982AF30842F60A33_6035_UN,8.875004,00000000000000000000000000000000000000000100000000000000000000000110000000000000001110000011000110001100010000011100001001000111110110000100001111010001110111100111110,WHVGYNHAANILIF-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC4=C[N](CC3CC3)C=N4,A106EA142AE7C472_71A2D9AE986A1A28_7022_UN,8.874669,00000000000000000000001000001000000000100010000000000000010000000100000010010101100101010001000011001100010101000100000011110100010001110110001010011011110111110111110,XITABIQNQTXIRA-UHFFFAOYSA-N
+O([C@@H](CC#N)C1=CC=CC=C1)C2=C(C=C(OC)C=C2)CC3CCNCC3,0B7A7DFA095B41B3_E3C53B1BA7108762_6035_UN,8.874538,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001010001101000100000010100001001000111110010000110001111010011110101111111110,IJZSHGIBNWFUGN-QFIPXVFZSA-N
+O(C(=O)C1=CC2=C(C=C1)NCCCC2)CCNCC3=CC=CC=C3,380BB2E8A2814FCE_BA68573277252390_6031_UN,8.873786,00000000000000000001000000000000000000000000000000000000000000000000000000000000001000100011000100001100110001010000001001010110110110010110001011010001011111110111110,VFFDXSNKHZKDBY-UHFFFAOYSA-N
+CNCCC(OC1=N[N](C)C2=C1CCNC2)C3=CC=C(C)S3,FD34EA2E118C70F4_1B7BF27F46BB2DB3_6035_UN,8.873444,00000000000000000000000000000000000010000000000000001000000000000100000000010001111100101001111111101100110010110101111011101111110110000110011110011101110111101111110,ZMHXGERSSHDAPP-UHFFFAOYSA-N
+C2(=C1OC=CC1=CC=C2F)NC3CCCC34CCNC4,85FF3D26702059B0_1471A6506BBA9853_7022_DP,8.872938,00000000000000000000000000000000000000000010000000000100010000000010000000000000101100110011000110001100110100011000001011000100110101110110001010010011110010100111110,XFBGUVPPZKRREG-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,DCD47A95706093A2_05D0F63D11397160_6026_UN,8.872835,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011101000010001001001101010000101111001001011000111111101111110111111111110,LTGHDYFDZBHBOY-UHFFFAOYSA-N
+CCC2OC1=C(C=C(C=C1C2=O)NC4=C3C=NC=CC3=C(C=C4)[N](=O)=O)F,BABC56614028E657_BDF5BDD8334B4BD4_6041_UN,8.872621,00000000000000000000000010000000000000000010000001000000110000010100001110000000100100010100001010100110010100000110000111101101001011111100101111101011101111111111110,UINOOWSGRGDCFA-UHFFFAOYSA-N
+CC3=CC1=C(C=C(C=C1C)NC(C)(C#N)C2CCCCC2)[NH]3,B061BC910EC6F49F_A87507C3923223E2_6041_UN,8.872549,00000000000000000000000000000000000000000100000000000100000000000110000000000001100100000011000010000100010010001000101001000100110101010100011001010101000010101111010,OABZUFMUHYQMSL-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC3CC3OCC)C4=CCNCC4,83C170283E2A937D_FC423BFF84F0BD78_6034_UN,8.872427,00000000000000000000001000000000000000000010000000100000000000100100000000011000001101110001000011111100110111010010001011100111110010100110001101011011110111101111110,KRTRYNGEAGVPJM-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CN(CC23CC3)[S](C5=C4C=CC=CC4=C(C)C=C5)(=O)=O,A329B73960C5F511_89C1F05A1A3128BE_6029_UN,8.870896,00000000000000000000001000000000110000000000000000010001001111001011000001010000010000101000011000101110011000001100010001101111111000001110000111111100110011111111110,AJPWDYCHWGCUKY-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)C2=NN=C[N]2C)NCC3CCCOC3C(C)(C)C,CAD8ADBAA76DD970_AC106DD99106B8E0_6041_UN,8.870782,00000000000000000000000000000000000000100000000000001000010000100110000000110101101101000011011011101000000011001000001011101100110011010110011011011111110111101111110,IOKMKPBXLVOVII-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N3CC(C3)OC4=CN=CC=C4,F9076BB97ED49844_F6A2B7602D11F066_6026_DP,8.870488,00000000100100000000000000000000110000000000000000010001001111001101000001010000110100101000011111101110011000001100010011101111001010001110101101101001110011111111110,RNYBXQPUTCQQEH-UHFFFAOYSA-N
+C1(=CC=C(C=C1)Cl)NC2=CC4=C(C=C2)N=C3CCCCN3C4=O,40184020B0FCCF53_099D94953E5D26EA_7022_UN,8.870482,00000000000000000000000000000000000000100000000000000000000000000100000000000100100001010000100001101101010100110100011011100101110001110100001111011001011010100111110,MUSCABNTTXPHIS-UHFFFAOYSA-N
+C1(=CC=C(C=C1)F)NC2=CC4=C(C=C2)N=C3CCCCN3C4=O,C2B373194D0F28F9_52C134336FEE0F9E_7022_UN,8.870473,00000000000000000000000000000000000000100010000000000000000000000100000000000100100001010000100001101100010100110100011011100101110001110100001111011001011010100111110,AQZHOKRESWNLHU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)Br)NC2=CC4=C(C=C2)N=C3CCCCN3C4=O,F147F8BD22C62366_9904148FC84B4B30_7022_UN,8.870461,00000000000000000000000000000000000000100000001000000000000000000100000000000100100001010000100001101100010100110100011011100101110001110100001111011001011010100111110,GUSZTLIIVDLXID-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)C=CC=C2)[S](=O)(=O)NC3=C(OC)C=C(C=C3)SC,99192BFE3FA384E6_BEB0C19A38EC3B2F_6026_UN,8.870392,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000001000011100000110011000001100010000001111001001011000010111101111100011111111110,AFPXCNUYMFGNFG-UHFFFAOYSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4=C(C=CC(=C4)C#N)F,380F45A0E7311672_4784D1FB7E1C1784_6034_UN,8.870067,00000000000000000000000000000000000000000110000000000000000000100100000000010000001101110011000010101100110100010000001011100100110000100110001011011011010110100111010,XSIGJHNLJWZLOF-UHFFFAOYSA-N
+N(CC1=CC(=CC=C1)OC2=CC3=C(C=C2)C=CC=C3)[S](C4=CC(=C(C=C4)CO)N(C)C)(=O)=O,388C8E574367AD44_06BA8B4D70814B92_6029_UN,8.869436,00000000000000000000000000000000110000000000000000010001001111001001010001100000011001101000011001001110011011001100010000101111001101011011101111101111110111111111110,INHQDDULWOKDIM-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=CC(=N2)NC4=C(C=C3OCCOC3=C4)[N](=O)=O,7DC5E7A0CA16A366_AED6B891B8C23D44_6041_UN,8.869143,00000000000000000000000010000000000000100010000001000000110000010100001110000101000000010000001001100110010101000100001111101100001011110110101011111011110011110111110,PCQDMFFTEFOYKZ-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C3=C([NH]2)N=CC=C3)CC4=CC=C([S](F)(=O)=O)C=C4,18CA56E6194A2FE1_DB9B680E3B23DA6F_6039_UN,8.868701,00000000000000000000000000000001000000100010000000010001001111001101000001000100010100001000000011100110011101001100000011001111001000101100001101101001110111010111110,WVANMQIUJLQQQH-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C3=C([NH]2)N=CC=C3)CC4=CC=C([S](Cl)(=O)=O)C=C4,090D4278E99A6110_333FE91387264356_6039_UN,8.868686,00000000000000000000000000000001000000100000000000010001001111001101000001000100010100001000000011100111011101001100000011001111001000101100001101101001110111010111110,QBVTUBJNBNTBMS-UHFFFAOYSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Cl)C3=CC(=N[N]3C)C(F)F,70D66116D6E58FBF_4168FB4EAFE21F5C_6035_UN,8.86851,00000000000000000000000000000000000000000010000000001000000000100100000000010000101100010011111111001001100100110100011011101111000010100100001110011011110011101111110,RVANAVNIAFRVLO-TZMCWYRMSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Br)C3=CC(=N[N]3C)C(F)F,8E74A2F624B6D268_A56900F2FA956E87_6035_UN,8.868505,00000000000000000000000000000000000000000010001000001000000000100100000000010000101100010011111111001000100100110100011011101111000010100100001110011011110011101111110,DNWDEDYLYPQSLH-TZMCWYRMSA-N
+C2(=C1NC(NC1=CC=C2)=O)NC4=C3C=CN=CC3=C(C=C4)[N](=O)=O,3C84A4B5DF58A178_B6471C645C61090D_6041_UN,8.868428,00000000000000000000000010000000000001000001000001000110100000010100001100000101100100000000001010100110011000100100010111101101001101011100001101101001001010110111110,ACKASHHGBCZWOG-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=CC=C(C(C#CC)(C)C)C=C2,740DDADAAEF9ACE5_4B3D055D2B365133_6035_UN,8.868383,00000000000000000100000000000000000000000010000000000000000000000010000000110000000101100000000111001000001100011100001001100011110010100110010100011100110101101111110,JFTJWWCBGQATGW-INIZCTEOSA-N
+N#CCC1=CC2=C(C=C1)[N](C=C2)C[C@@]34CCN(C)C[C@H]3CNC4,0807EFB6481AE9D2_18A8BC84CB5E7BEC_6034_DP,8.868196,00000000000000000000000000000000000000000100000000000000000000000110000000010000101101100011010010101100010010011001101011100100110000000110001001011001010110101111010,RDXJEBAEIJXCBB-MJGOQNOKSA-N
+ClCC1=CN(C(=O)C2=C1C=CC=C2)CC3[C@@H]4CNC[C@H]34,FF40106A48962EDE_BA5A88FA3DFC3FC6_6034_DP,8.867933,00000000000000000000001000000000000000000000000000000000000000000100000000010000001101100001100010101101010000100100010011100101110000100110001111001011011110100111110,KUSWRPUMMXGZRA-YIONKMFJSA-N
+N1CCC(CC1)C(C)(OC2=CC(=C(C=C2)Br)OC(F)(F)F)C(F)(F)F,B79C0FDF375F8928_5BDA7D7FF1ECBDB4_6035_DP,8.8674555,00000000000000000000000000000000000000000010001000000000000000000010000000000000001000110101000000101000101110011100101001000011110000100110000111010011110001111111110,IRPLFWWOTATRBA-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC(=C(C=C2)F)OC(F)(F)F)C(F)(F)F,8FAC633E5F0DA105_068F11BDDF8EF49E_6035_DP,8.867454,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110101000000101000101110011100101001000011110000100110000111010011110001111111110,LTQFWZQJLBQUIS-UHFFFAOYSA-N
+ClC1=NC=C(C=C1)C3=NC2=C(C=CC=C2)N3C[C@@H]4CNC[C@H]4C5=CN=C[N]5C,282BB7CBDE96EC36_FE03BE4973E20625_6034_UN,8.867262,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101110011010010101101010110000000000011100100110000100110001011001011010110101111010,ZRDLRVNBANEKMV-JKSUJKDBSA-N
+C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=CC=CC(=C4C)C#N)(=O)=O,11A2B478D0E7AACC_BD751F3248AD73B7_6029_UN,8.867081,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000001000001000101110011000011000011001101100111000001100001011011010010010111111110,XJMZNISCEDVBQT-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C#N)F)NCC3CCNC34CCC4,1C7566C7505BD939_CF7043E0BA2D151A_6041_DP,8.866562,00000000000100000000000000000000000000000110000000000100000000000010000000000000101100010011000011001000110100011100001001000111110101110110001111010011110111100111110,ACMSAMKRJXBTHS-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC3=C(C=C2)CCNC3,14F6CC24E68DCD42_5530BBD71BEE285E_6035_UN,8.866329,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100001010101101100110010011101001011100011110110000110001111011101110101101111110,ZCZGTVHFMWCFQI-UHFFFAOYSA-N
+C[S](=O)(=NC1=CC(=CN=C1)NC3=CC2=C(CNC2)C=C3)C,85338843BC21D99C_65B8B8F3617E1007_6041_DP,8.866027,00000000000000000000000000000000110000000000000000010000001011000101000001100001101100101001011010101110010000001000010111001100011101010110001011001101010010101111110,CYKSJZDPIWRRHC-UHFFFAOYSA-N
+O(C3CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)C4=C(C=C(SCC)C=C4)C,98654A8CDD24FEAC_536B0D9BFD2AC881_6035_UN,8.865895,00000000000000000000000000000000000000000000000000000000000100001100000000000000010100011011000010000101110100010110001001000111110010100100000111010111110111001111110,GWUFKNYRNXXAEI-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC2(F)CNCC23CCC3)C=C(Br)C=C4)C,FC797629E338F5A6_99D6D9B7A86EFB7B_6034_UN,8.865755,00000000000100000000000000000000000000000010001000000000000000000110000000010000101101110011000010001100010110001000101011100100110000100110001010011111010110101111010,SQGUTTCHBKPCTR-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCC2=C(CC)C=NC=C2,965B91F6B226D854_1BE8A05C6FB2D2D8_6041_UN,8.86561,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000000001011100101010000010000110000101101111011001010100011111101111110111111111110,IFVUVAYDEIRRJE-UHFFFAOYSA-N
+FC1=C(C=CC=C1)SC2=NC=C(C=C2)NC[C@@H]3CNC[C@H]3C,E4C70399359348E9_C154B788B01C97C5_6041_DP,8.865549,00000000000000000000000000000000000000000010000100000100000100001100000000000001111100111011000010101000000110000001100011000100110101110110001011000011010110101111010,BMVLRWYAEASHCU-OLZOCXBDSA-N
+CCC2=CC(=O)C1=C(C=CC=C1)N2CC3(CCNCC3)NCC(F)(F)F,7F788538346FE4BC_25C41A0EC8FF5B62_6034_UN,8.865548,00000000000000000000000000000000000000000010000000000100000000000110000000010001101001100011000001101100111110011110001011100101110101100110001111011011111110101111110,IRVXZBZAZLKVAV-UHFFFAOYSA-N
+CC4(C)CCC1=C(SC(=N1)NCCC2=C[N](C3=C2C=CC(=C3)C)C)C4,D161C648E244FE14_BA7C46B538F6E09C_6041_UN,8.865463,00000000000000000000000000000000000010000000000100000000000000000110000000110100011101001001010010001100111010011001101011100100110001010100011011011101010110101111010,MDOUTRMIJKOXSB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2=C(C=CC=C2)F)N[C@H]3[C@H](OC)CC3,23E68E4F91FE3BBE_2D787179A6698AB9_7022_UN,8.865303,00000000000100000000000000000000000000000010000000000000000000100000000000000000000000010011010100000000100110010000101000000111000011110000000111010011100011101111110,MLUURCUNTNRZEA-IAGOWNOFSA-N
+O=[N](=O)C1=CC2=C(C=C1)N=C(C=C2)NCC3N(CCN(C)C3)C,9F641AC1EDDA79E4_75A485E06F44E7E4_6041_UN,8.86443,00000000000000000000000010000000000000100000000001000000100000010100001100010101101001100011011000101110010010010001101111101100111001010110001001011111010110111111110,IYRXYMWVFITABX-UHFFFAOYSA-N
+FC1=CC3=C(C=C1)N(C2=C(CNCC2)C3=O)CCOC4=CC=C(CN)C=C4,5DC2CA28DB097DC5_BC751355986059E7_6034_UN,8.86433,00000000000000000000000000000000000000000010000000000000000000000100000000010000101011110001000101101100110101010100001011100111110110100110001111011001111111110111110,JHAMMUYXUADMLH-UHFFFAOYSA-N
+O(CCC1=CC2=C(C=C1)CCC2)CC(C3CCNCC3)F,42A0C468D955EA3A_D775EA9D93CED683_6039_DP,8.863931,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000100001000010101100110101010000001001000010110010100110000011010001010101100111110,AYSMPJFMLOEBQI-UHFFFAOYSA-N
+N3CC(OC1=N[NH]C2=C1C(=CC(=C2)N)F)(C3)C4=CC(=C(C=C4)F)F,7FF05E19025C475D_19AA09E23CEB5E3E_6035_DP,8.863883,00000000100100000000000000000000000000000010000000001100000000100110010000000000101110110010101111001100010100101100010011001111000111110110001111000011110011100111110,LHUJRIZDFBRUPG-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OC(C2=CC=C(CNC)C=C2)=O)C3,7B68B569877E5F27_97BE74B2546AE9ED_6038_DP,8.863735,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001010000101100110000010101001001010111110100000110001111010001111101111111110,IBJZOBXWTPPAFV-UHFFFAOYSA-N
+CC#CC1=CC(=CC=C1)OCC3C(C2=CC=C(OC)C=C2)N(CC3)C,9AAA1F4FE5461AEB_66E37D39FBFFF987_7022_UN,8.86363,00000000000000000100000000000000000000000000000000000000000000100000000000010000000101100000010011001000000011010101101001100111110000000110010101011110110111111111110,OHPBHQYUDYBQAY-UHFFFAOYSA-N
+CC(C)C1COCCC1OC2=CC3=C(C=C2)CNCC3,C2F5267C8B437E40_0F7B25549E9300AE_6035_UN,8.863465,00000000000000000000000000000000000000000000000000000000010000000000000000100000001000100101000000101100110011010100101011000011110010000110000111010111110001111111110,RILRDZZGUNUERR-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=C(SC)C=C2,6C0E144367EF6B82_79CB4A131648E891_6041_UN,8.863167,00000000000000000000000010000000000000000000000001000000100100011000001100000000011000101010011001001010100001010010101100101110101001010010001011111111010111111111110,UTVFSEMYVCDZDW-UHFFFAOYSA-N
+S(CC1OCCC2=C1C=CC=C2)C(=O)C3=CC(=C[NH]3)F,1294697C12FB9A15_4BACCEEEB0BB334E_6038_UN,8.8628,00000000000000000000000000000000000000000010000000000000010000000100000000000000010100011001000110100100010101000000001011000100110010100110000011010001111111010111110,DKVJPKPVRUUXLO-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)CC(CCOC)(C)C=C,4F887B47BDEBB736_B40DF084620033C7_6034_UN,8.862371,00000000000000000000000000000000001000000010000000000000000000100110000000010000001101110001010010111100110101011001101011100110110010100110001001011101010111101111110,QLXXQKYYQWLJEX-UHFFFAOYSA-N
+N3C[C@@H](OC1=C2C(=C(N)C=C1)C=CC=C2)[C@H](CC#N)C3,E978E2A7F7D0B353_18FC01EBDFEE5D3C_6035_DP,8.86234,00000000000000000000000000000000000000000100000000000000000000000000000000000000001110100011000111001100010000010100000001000111110111010110001101000011110111100111110,CYSZLNSTMMSMQU-BDJLRTHQSA-N
+COCC[C@@H]3[C@H](OC(=O)C2=C1C(=C[NH]C1=CC=C2)C#N)CN3,0B95F86ACC4FE731_7FBC132855509B70_6038_DP,8.862273,00000000100100000000000000000000000000000100000000000000000000000100000000000000101100100011010111001100110001010001101011010111110110000110001100110011111111111111110,AFSXGTRCASTBHW-TZMCWYRMSA-N
+OC(=O)C1=C[NH]C2=C1C(=CC=C2)NCC3(CCNCC3)F,7472ACDEC1841594_578A92A2CAFA797A_6041_DP,8.862171,00000000000000000000000000000000000000000010000000000100000000000110000000000000101100110011000011101100110100011000001011010100110101110111001001010001011111110111110,ALJVYOXCEFCPID-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC3=CC=C2N=CC=CC2=C3F,4CA31BB6577AF365_51E4E0A60382E106_7019_UN,8.862054,00000000000000000000000000000000000000000110000000000000010000000110000000000000000000110000000000110100010101001000001011000100110010100110001011010010010111000111110,PXJUNZCUYCVTHT-UHFFFAOYSA-N
+O(CC2=CC1=C(C=C(C=C1)Br)[NH]2)C3=C(N)C4=C(C=C3)CCC4=O,A11E53CB7881BFC8_0A21993EE274FE51_6035_UN,8.861911,00000000000000000000000000000000000000000000001000000000000000000100000000000000000110010001000111000100110101010100001001000111000111110100001111010011111111110111110,NFTIEEGVQQZAQO-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)C=CCCCC2CCNCC2)C#N,DA6BC9743BEFF0F5_A14133B28D221CE3_7019_DP,8.86167,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000111000100100010000001001000000110000100110001011010011010100100111010,JRAKUPBNBJLXBI-UHFFFAOYSA-N
+ClC1=CC(=C(C=C1)C=CCCCC2CCNCC2)C#N,C31F0CF3B212C03A_25F85564BB17F681_7019_DP,8.8616295,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000110001000000111001100100010000001001000000110000100110001011010011010100100111010,LUQSPSZCXMKJCA-UHFFFAOYSA-N
+CC1=C(C2=C([NH]1)C(=CC=C2)NCC3=CC(=NC=C3)N4CCN(CC)CC4)C,73BC10C7AF518FD6_03898099207EB9AB_6041_UN,8.861406,00000000000000000000000000000000000000100000000000000010000000100100000000010101001101100001000010101100010010010010101011100100110101010110011011011111010110101111010,GBWPHBCPRIUWAZ-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)C=CC=C2)[S](=O)(=O)NC3=C(OC)C=CC=C3SC,2E14007E6444FD09_976A9782BD660FCF_6026_UN,8.861294,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000001000011100000110011000001100010000001111001001011000010111101111100011111111110,CLKROKCKAJNWOF-UHFFFAOYSA-N
+CN1C(=O)N(C2=C1C=C(C(=C2)Cl)Cl)CC3(CNC3)C4=CC=CC=C4,8AF4996216E1C25F_5D8A5B6ADCEA0A2D_6034_UN,8.860728,00000000100100000000000000000000000001000000000000000000000000100110000000010101101101110010010010001101011110101100010011100101100000100110001111001011011110101111110,KMYRYCYFYWPSPE-UHFFFAOYSA-N
+N(CCC1=C[NH]C2=C1C(=CC=C2)F)C(C3=CC=C4[N]3CCNC4)=O,BC3843E3EF1B22C1_89B6CCBEC44B3F6D_6038_DP,8.860575,00000000000000000000000000000000000000000010000000000000000000000100000000000001001101110011100110101100110100110000011011100100110100100110001011011001011110100111110,UJPDPHXMWXKHJI-UHFFFAOYSA-N
+ClC1=CC(=CC=C1)N2C=CN(C2=O)CC3=CC=CC4=C3CNCC4,25BA307932F06AF1_325A5BE9F344FA80_6034_DP,8.860472,00000000000000000000000000000000000001000000000000000000000000100100000000010101001101110001000010101101111100110100011011100101110001110110001111011011011110100111110,UQLXUWZFHUDNTO-UHFFFAOYSA-N
+BrC1=CC(=CC=C1)N2C=CN(C2=O)CC3=CC=CC4=C3CNCC4,A02A64EB21B9A74E_65C0492FA9BD8A9F_6034_DP,8.860451,00000000000000000000000000000000000001000000001000000000000000100100000000010101001101110001000010101100111100110100011011100101110001110110001111011011011110100111110,NBGHECWHGMKMCL-UHFFFAOYSA-N
+O=[N](=O)C1=C[NH]C2=C1C=C(C=C2)NC3=C(C(=CC=C3)C#N)F,42652BA729DD623F_465AC4F33B562AF6_6041_UN,8.860025,00000000000000000000000010000000000000000110000001000000100000010100001100000001100100010000001011000110010100000000000101101100001101110100001011001011000010110111110,ALQWTJSRYDKVHQ-UHFFFAOYSA-N
+FC1=NC(=CC=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O,22C8322318728446_5E096906FD25E994_6041_UN,8.859991,00000000000000000000000010000000000000100010000001000000100000010100001100000100000000110010011001100010000101000001000101101110001001110100001011101011010111111111110,WXISWKSCBPEYAV-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NC3=CC(=CC=C3)N4C(=O)COCC4=O,6B595E1A8E04F30A_8EEFE0FC3CB019F4_6041_UN,8.859614,00000000000000000000000000000000000000000100000000000100010000100100000010010000100101100100100110100100010001110000010011100101100111011110001101101011011011110111110,KZTXPJHRZAMYAD-UHFFFAOYSA-N
+C1(=CC(=NC=C1)N2CCOCC2)NC3=C(C=C(CCCC)C=C3)C#N,F7128F4E737C4254_8AD9D905C0C94D05_6041_UN,8.859311,00000000000000000000000000000000000000100100000000000000010000100100000000010100100001100000000100101000000001010011101011100100110011010110001011011011010111101111110,TYFZKOQSOZDKRS-UHFFFAOYSA-N
+O=C2C=CC1=C(C=CC(=C1)C#N)N2CC3CC(CN3)(F)F,7DBE348274409775_D6D1774E24DB9DE8_6034_DP,8.85886,00000000000000000000000000000000000000000110000000000000000000000100000000010001001101010011100010101100110100111100010011100101110000100110001111001011011110100111110,LLMPJWIBZZJAAU-UHFFFAOYSA-N
+O(CC1NCC(C1)(F)F)C2=C(C(C)C)C=C(C=C2)C#N,FE54A5C178AD333D_2C948B41A9060094_6035_UN,8.858841,00000000000000000000000000000000000000000110000000000000000000000000000000100000001100010011000110001000100101011100000001000011110000100110001110000111110111101111110,LKRWLFOXVKMUNY-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)N3C(=O)C2=C(C=CC=C2)N(C3=S)CC4(NCCNC4)C,7887B9BB16209F22_75C47514FEC00C8A_6034_DP,8.858673,00000000000000000000000000000000000000000000001100000010000100101110000001010101111001111011100001101100111110111101111011100101110101110110001111011011011110101111110,PFZDMPBZZANVQN-UHFFFAOYSA-N
+CC1=C(N(C(=C1C#N)N)C[C@@H]2CNC[C@H]2C(F)(F)F)C3=C(C=CC=C3)F,4CE5CCA4ACAD89CB_D7C1A7DBB5EEDE53_6034_UN,8.858458,00000000000000000000000000000000000000100110000000000000000000100100000000010100101111110011000010001000001110001000000011100100110101110110001010001011010110101111010,ZIBJBPKQFHDDEL-SMDDNHRTSA-N
+COC1=CC(=C(C(=C1)C)[S](=O)(=O)NC2=C(C=C(SC)C=C2)I)C,3327D23C9E859A76_C69E63F000D3F318_6026_UN,8.858374,00000000000000000000000000010000110000000000000000010001001111001001010001000000010000011000011000000010001100001100010000001111001001111000010111101111100011111111110,RZVZDYREQAXXPT-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C#C)NC2=C(C=C(OCC)C=C2)[N](=O)=O,B8F2E12EDB4C145E_712EB5D57A8DD2F3_6041_UN,8.857658,00000000000000000100000010000000000000000000000001000000100000010100001100000001000000000000001001100010000001000110000101101111001001010100001111101011110111111111110,XXDRBANUSPZWDT-UHFFFAOYSA-N
+C2(=C1CCOCC1=CC=C2)NC3=CC=CC(=C3C)C[S](=O)(=O)C,C351F246EA0B3CDA_4C7DEFE441E95E7C_6041_UN,8.857258,00000000000000000000000000000000000000000000000000010001011011000001000001000000000000101011010000100110010001001001101000001100111011011110000011111111010111111111110,CHXLQNMUBAGVSX-UHFFFAOYSA-N
+N1CCC5(CC1)CCC2=C(C=CC(=C2)NC3=C(C=CC4=C3OCO4)F)O5,A652694999724071_42E160C34259F32C_6041_DP,8.857021,00000000000000000000000000001000000000000010000000000000010000000010000010000000001100110001000111101100110101011100001011010100110111110110001011110011110011110111110,DTJPTANLMBQANJ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC4(CCOC)CC3OC3C4)C5=CCNCC5,84DF1807CB9FF179_C727DE16F3D2704F_6034_UN,8.856934,00000000000000001000001000000000000000000010000000100000010000100110000000011000001101110001010010111100110101011001101011100110110010100110001001011001110111111111110,TVFVVLDCWRBDEV-UHFFFAOYSA-N
+N(C1=CN=C(C=C1)N2CCOCC2)[S](C3=CC(=C(SC)C=C3)C#N)(=O)=O,4D52820D5E9E7D7D_F5D1E599995CDFBE_6029_UN,8.856884,00000000000000000000000000000000110000100100000000010001011111101101010001010101010001101000011100101010001001011000011011101100111011011110001011111011010011111111110,GOBCIDDTTVNSPZ-UHFFFAOYSA-N
+NC(CC1=C[NH]C2=C1C(=CC=C2)Br)C(=O)OCC3=NC=CC(=C3)N=[N]#N,992F84EF7A87CF79_6D63E594E1B11C38_6031_UN,8.856801,00000000000000000000000000000000000000000000001001001000000000000100001000000100100110010011001110100100110101010000000111011110101101110100001001000001011111110111110,QZUSRVCGWNLTBC-UHFFFAOYSA-N
+CC(C)C1=CC=C4C(=C1)N=C(C3CC2CNCC2NC3)[NH]4,6A7F7B85941FAE4B_16B187BCEE24C7DA_7005_DP,8.856381,00000000000000000000000000000000000000100000000000000110000000100100000000100101101100100011000010101100110000010000000011000100110100000110001001000101010010101111010,QICPIESHBZJPCF-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)NC2=CC=C(C(=C2C)OC)C)[N](=O)=O,4C6622A88D70DA1E_135F23AA80C671C4_6041_UN,8.856352,00000000000000000000000010000000000000000000000001000000100000010000001100000001000000000100011101000010000000000100000100101111001001010000111111101111100011111111110,IEHRVKFGDVDRNU-UHFFFAOYSA-N
+CC1=C(C(=CC=N1)NC24CC3CC(C2)CC(C3)(C4)F)F,EF7B68060F4E6522_69B311BE1905575C_6041_UN,8.856239,00000000000000000000000000000000000000000010000000000000000000000110000000000000100000010001000000100100110100011000000001000000100001110100001011000011000010101111010,LPCLFISBMAGOOE-UHFFFAOYSA-N
+FC1=C(C(=CN=C1)NCC3=CC2=C(CN(C)C2)C=C3)F,C8AACA366F6F9AD3_29D8B435EF28C7DE_6041_UN,8.856125,00000000000000000000000000000000000000000010000000000000000000000100000000010001001101110000010010101100010100000001000011100100110001110110001011001011010110101111010,GXDVNIINACVCDO-UHFFFAOYSA-N
+CC1=C(C=CC=C1Cl)COC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,78D0A18CC93FE570_D6F4C1255F87937B_6035_UN,8.855812,00000000000000000000000000000000000000000000000000000000000000100000000000000000001000110001000000101001100101010101101001000111110000100110000111010111110101101111110,DQVIBCLSDRYOCY-KUHUBIRLSA-N
+CC1=C(C=CC=C1Br)COC3=CC=C([C@@H]2[C@H](C)CCNC2)C=C3,56979AC82827BBAD_707DC6B211E933C9_6035_UN,8.855812,00000000000000000000000000000000000000000000001000000000000000100000000000000000001000110001000000101000100101010101101001000111110000100110000111010111110101101111110,AGUCRWDTZWUSPS-KUHUBIRLSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3CC(C)NC3)CC#N,7E3E9ED0168FEBF5_03F5F05EAD1EC95C_6034_UN,8.855789,00000000000000000000000000000000000000000100000000000000000000000100000000010000101101000011000010001100110010010001100011100100110000000110001000001101010110101111010,FGKDNQACOYSEMK-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=CC(=C2)Br)N3CC5(C4=C3C=C(Br)C=C4)CCOCC5,F5544C80EDBF9301_925FEC4FAF22D466_6026_UN,8.855633,00000000000000000000000000000000110000000000001000010001011111001111000001010000110100111000001011101110011101001000011011101100111010111110001011111001010011110111110,AKNBVFWPCKYSDZ-UHFFFAOYSA-N
+FC1=CC4=C(C(=C1)NC[C@@H]2OCCN(C)[C@H]2C3=C[N](N=C3)C)C=CN=C4,1E146C4AF5281453_BDA990655D9CA2E5_6041_UN,8.855116,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101100010111010001101011101100110011110110001001011111110111101111110,WFTABXNJKWEUET-OALUTQOASA-N
+N(CCCC1=C[NH]C2=C1C=C(C=C2)F)C(=O)C3=C[NH]C4=C3C=CC(=C4)[N](=O)=O,F66C61060AB61A2C_AE1CF9DA7A8B4E93_6038_UN,8.855095,00000000000000000000000010000000000000000010000001000100100000010100001100000000101100010011101011001110110100110000011111101100001101111100001001111001011110110111110,INRXSUXZKLDSKG-UHFFFAOYSA-N
+C2(=C1OCCC1=CC(=C2)CC#N)NCCC3=CC=N[N]3C,AA681FC241480EB0_FE37A6C131ED9E5D_6041_UN,8.854463,00000000000000000000000000000000000000000100000000001000010000000100000000010000101100000001011110001100110011010100101011101100100011010110001010011011110111101111110,OUUQKSSNZBVXBP-UHFFFAOYSA-N
+CCC4CCC1=C(C3=C(N1CCN2CCNCC2(C)C)C=CC(=C3)C)C4,71A631D33BDEC901_A855E579A026EC43_6034_UN,8.854403,00000000000000000000000000000000000000000000000000000000000000000110000000110001001101100001000010101100110010011011101011100100110000000110011011011111010110101111010,JWERXCZIPMJYOL-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OC(C2=CC=C(CNC)C=C2)=O)CC3,321E5AC0449CC67C_08F22A57EAB9C2F3_6038_DP,8.854257,00000000000000000001000000000000000000000000000000000000000000000000000000000000001000100000010000001100110000010101001001010111110100000110001111010001111101111111110,LQHJYAAARATWAL-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN(C2=O)CC3=CC=CC4=C3CCNC4)Br,55C6C890FCEE6BBB_955AF3A37D2426B3_6034_DP,8.854011,00000000000000000000000000000000000000000010001000000000000000000100000000010000001001110001100000101100110100110100011011100101110000100110001111011011011110100111110,SDBNECVBILDZCS-UHFFFAOYSA-N
+FC1=CC(=C(C(=C1)F)NC4=C2C=NC=CC2=C(N3CCN(C)CC3)C=C4)F,EB5536580E149B39_3C71DF6C37DAA9AE_6041_UN,8.853558,00000000000000000000000000000000000000000010000000000000000000100100000000010001100001110000010000101100010100010001101011100100110001110110001011011011010010101111010,DBLUSQXRYBOJRQ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[NH]C=C2NC34CCNC3CCCCC4,238DB67723AA4774_5BD44DA8706C3E19_6041_DP,8.853256,00000000000000000001000000000000000000000010000000000110000000000110000000000001101100010011000010001100110100011000001011000100110101110100001000010001010010100111010,FDVBBOSJJSAFAJ-UHFFFAOYSA-N
+N#CC1=CC=C(C=C1)CN2CCCN(CC2)[S](C4=CC3=C(CNC3)C=C4)(=O)=O,FE2C874405E4A47B_840532FA71819F1D_6029_DP,8.852934,00000000000000000001000000000000110000000100000000010001001111001001000001010001111101101001001010001110011000011000011011101100111000001110001011011001010110110111110,COKVXYDOWJHEFT-UHFFFAOYSA-N
+CC2=C1SC(=NC1=CC=C2F)NC3=CC=C(CO[Si](C)(C)C)C=C3,F74175D92EF396C3_F25E0C547335E8B0_6041_UN,8.85291,00000000000000000000100000000010000010000010000100000000000000000100000000100100010100111000010010000110011101001000100011001110000001110100011011001111010111101111110,UCRIGMGECKIBFK-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,ED6505B5C1E02FD0_DA5AE0AA19742F1C_6041_UN,8.85242,00000000000000000000000000000000000000000010000000000000010000100100000000010000000001110000000100101100010101010000001011100100110011110110001011011011010011100111110,HQKJLPMBZSHHBF-UHFFFAOYSA-N
+C1(=C(C=C(C(=C1)F)C#N)F)NC2(CNC2)C3=NC=C(C=C3)F,5A41B96CFE018084_798F1A865BB57FD9_7022_DP,8.852384,00000000100100000000000000000000000000000110000000000010000000100110000000000001101000110011000000101000100100011000000011000100000101110110001011000011010010100111010,XZXQRFAUMRXBAS-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=C(C=C(C=C3Cl)F)C#N,6A435A9EAFFAF59F_283E85F5BBF6FC01_6035_UN,8.851961,00000000100100000000000000000000000000000110000000000000010000000010000000000000001100110011000011001001010101001100000011000011110000100110001110000011110101110111110,XGQWOJRLARNYJV-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=C(C=C(C=C3Br)Br)C#N,0AAC30B4EEED6CA3_A5A67CDBB8BF2DFD_6035_UN,8.851947,00000000100100000000000000000000000000000110001000000000010000000010000000000000001100110011000011001000010101001100000011000011110000100110001110000011110101110111110,KISRCBZRTRQSPZ-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OC2=CC1=C(C(=C[N]1C)C)C=C2)CCOCC3,E52596A1BEE10140_143654B76EBE26B0_6035_UN,8.851511,00000000000000000100100000000010000000000000000000000000010000000110000000110000000101100100010011100100010001001100001011100111110010000110010101011100110011111111110,QTKGMWRJSXCWPN-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NC(C2=C(C=C([S](N)(=O)=O)C=C2)F)=O)N=CC=C3OC,0F686DDACFEFE313_8C3425BD27A3ECB4_6038_UN,8.851426,00000000000000000000000000000000110000000010000000010001001111001101010001000001010010011000111001100110011100101100010001001111001101111100101111101111101011111111110,KRLGQYQYKJUFHD-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C=CC(=O)N2C[C@@H]3CNC[C@H]3C(F)(F)F,78265D2FCFFC64C8_D24F55BEA3583CBA_6034_UN,8.850545,00000000000000000000000000000000000000000010000000000000000000000100000000010000101101100011100010101100011100101100010011100101110000100110001111001011011110101111110,KKDVNRVJWQUKDG-QWHCGFSZSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC(=CC=C2)F)C3=CC(=C(C=C3)Cl)CC,F752EBA35A9F1E36_9A3E62C2A2ACFDEF_6035_UN,8.850104,00000000000000000000000000000000000000000010000000000000000000100000000000000000001100110011000011001001000101000110000001000111110000100110000111000011110101101111110,YEGDLYKSTWGXBB-YJBOKZPZSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(COC)(C)N,5B93919E05C8C290_9A72DCA375CE8ED1_6034_UN,8.850015,00000000000000000000000000000000000000000000001000000000000000000110000000010001101111110001010111101100110111011001001011100110110100100110001011011101010111101111110,NDZBHOZVVNIPGH-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(COC)(C)N,0D6D1A1485B00475_74CD8674895D5F77_6034_UN,8.850014,00000000000000000000000000000000000000000010000000000000000000000110000000010001101111110001010111101100110111011001001011100110110100100110001011011101010111101111110,GYEFNRHNKCYCEE-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(COC)(C)N,5C974396DC3402AB_696D8917939DA75F_6034_UN,8.85001,00000000000000000000000000000000000000000000000000000000000000000110000000010001101111110001010111101101110111011001001011100110110100100110001011011101010111101111110,OZAWGHULMFBMTI-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)NC2=C(C=C(C[S](C)(=O)=O)C=C2)C#N)C#N,AA1082CEDC931B38_5B17EDEC3013AA02_6041_UN,8.84983,00000000000000000000000000000000000000000110000000010001001011000001000001000000100000111000010000000010000100001001000000001100001011111000001011001111010110111111110,YNFJPSKEVWLLLB-UHFFFAOYSA-N
+O=[N](=O)C2=C(C=C1OCOC1=C2)NCC3(OC)CCNCC3,04A46E9BF77CC5AD_1515845468087FCC_6041_DP,8.849761,00000000000000000000000010001000000000000000000001000000110000010010001110000001001100100011011111101110110011011100101111111011111111010110101111111011110111111111110,JTSCRWOFEYGVNS-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)N[C@H]3[C@@H](C)NCCC3,C59704E1EE41CBC3_51E8ECCCACAC7128_6041_DP,8.8490505,00000000000000000000000000000000000000000100000000000010000000000000000000000001001000000011000000101100110010010000101001000100100101010100001001010011010010101111010,NDBHFSMCKSKACP-SJKOYZFVSA-N
+N1CCC14CC(CNC(=O)C2=C[NH]C3=C2C=C(C(=C3)Br)Br)C4,11F0AE5DDD916536_026EF539ABC9100F_6038_DP,8.84901,00000000100100000000000000000000000000000000001000000100000000000110000000000000101100010011100011001100110100111000011011000100110100100110001010010011011110100111110,LSIMXRWKQHSZIQ-UHFFFAOYSA-N
+CC2(C)OC1=C(SC=C1)[C@@H](N)[C@@H]2OC4=C(N=C3C=CC(=CC3=C4)Br)C5CC5,7ED9301C3A0FF2FC_EB171CEB68A5B8FA_6035_UN,8.84889,00000000000000000000001000000000000010000000001000000000010000100110000010100000010110011000000111100100010100001100000011000111000001100100001111010111100011111111110,FBFOMFISWOJSPH-XLIONFOSSA-N
+COC1=CC2=C(C=C1)CCN(C2)[S](C4=CC3=C(C=C(C)[NH]3)C=C4)(=O)=O,64BB8CCDF5633AF7_D7C4912931047DA0_6029_UN,8.848731,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100101000011010101110011000011100011011101111111000001110001111111101110011111111110,QFTINTBHPDFJPN-UHFFFAOYSA-N
+SC1=C(C(=CC=C1)C#N)NC2=C(OC)C=C(C=C2)C[S](=O)(=O)C,8AFEF0EA9B61F705_305FD6D74C659CF9_6041_UN,8.848594,00000000000000000000000000000000000000000100000000010011001111001001000001000000110000101000010100000010000000001101000000001111001111011000001111101111110111111111110,NOEFSBWYHUKPGR-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCOC4CCOCC4,93C51D0547F2730E_7E61751B0C549A0D_6034_UN,8.848466,00000000000000000001000000000000000000000010000000000000010000000100000000010000101101110111000110101100110101010000001011100111110010100110001111011001110111110111110,UBQFVBRPBGXKGE-UHFFFAOYSA-N
+COC[C@H]1NC[C@@H](C1)OC2=C(C(C)(C)C)C=CC=C2N,C8ADFD945A0D7763_72EE623F5ECFAA46_6035_UN,8.848193,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110100011010111001000100011011101000001000011110111010110011110000111110111111111110,VPEDLQNEZGUTIM-NWDGAFQWSA-N
+NCCC1=CN(C2=C1C=CC=N2)CCNC3=CC(=C(C=C3)F)F,A7312A3E961A9FB9_B5E145A369AA82EB_6034_UN,8.847994,00000000000000000000000000000000000000100010000000000000000000000100000000010101001111010000000010101100110100010000001011100100100101110110001011011011010110100111010,TVAZMJBOGPMIDF-UHFFFAOYSA-N
+O=C2N(C1=C(CNCC1)C=C2C#N)CCC(C3=CC=CC(=C3)C)N,8170E0CD007BCBBD_4FA3BE4C68E52523_6034_UN,8.847409,00000000000000000000000000000000000000000100000000000000000000000100000000010000101011100011100001101100110000110100011011100101110100000110001111011011011110101111110,CDZDESPXXXYEAP-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=CC5=C(N=C4)C(=CC=C5F)F,E7D7BA935F8A0237_4FEF0A83086A2765_6038_UN,8.847376,00000000000100000000000000000000000000000010000000000000010000000110000000000000100000010000100001110100010100101100011011000100000011110100001011010001101011110111110,ZVRUXJWQDDVYJZ-UHFFFAOYSA-N
+CN1C(=O)C=CC2=C1C=CC=C2NC(C4=C3[N](CCNC3)C=C4)=O,D65A02A0A61FCEA6_D2C721881336C89D_6038_DP,8.847305,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100001110011101100110000110100011011100101110101011110001111011011011010111111110,DLTZBOIEBMVHKQ-UHFFFAOYSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NC3=C(C=CC(=C3F)F)C#N,BF1AA96763C5A16B_9EFC551D63DFAEF4_6041_UN,8.846778,00000000000000000000000000000000000000000110000000000010000000000100000000000001100100010011000010000100010100010000000001000100000101110100001011000011000110100111010,SIBMNGDNUPBUFF-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(SC)C=C2)C#N,6FF200559F18AB3C_77C5330166E407CF_6041_UN,8.846164,00000000000000000000000010000000000000100100000001000000100100011100001100000101011000001000011001101010000000000000000101101100001001010100001011001111010110111111110,GRDKFKVCCHIJOL-UHFFFAOYSA-N
+BrC1=CN=C(C=C1)N2C=CN(C2=O)C[C@H]3[C@@H](CCNC3)C4=CC=C(C=C4)F,54AF8DA55647182B_475A7CB99457E892_6034_UN,8.845915,00000000000000000000000000000000000001100010001000000000000000100100000000010101101101110011000011101000101100110100011011100101110001110110001111011011011110100111110,YTSVUDPBOPOZBC-YJBOKZPZSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=C(C=CN=C3Br)C(F)(F)F,6D257E9DA19BBCCA_D287E820CB73E925_6035_UN,8.845694,00000000000000000000000000000000000000000010001000000000000000000100000000000000001100110011000111101000001100001100000011000111110010100110001111000011110111100111110,OWVGQXBFTDHOCP-TZMCWYRMSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC=CC3=C2C=C[N]3C,23357FF0302670F9_E719981BAEDC4596_6041_UN,8.845474,00000000000000000000000010000000000000100000000001000000100000010100001100010101100101000000111011100110010000100100010111101111001001010100001111101111000011111111110,ISKJWDOKTPVZAG-UHFFFAOYSA-N
+IC2=CC1=C(C=CC=C1)[N]2CC3C4(CCNC3)CCC4,A03549FBD1D1DCCC_79896E78CE289CC0_6034_DP,8.845245,00000000000100000000000000010000000000000000000000000000000000000110000000010000101101110011000010101100110100011000001011100100110000100110001011011011010110100111010,QLQFGTSXIBJAMJ-UHFFFAOYSA-N
+C1C2(C1)C4=C(CN(C2)[S](C3=C(C(=C(C=C3)C#N)C)F)(=O)=O)C=CC=C4,B34C7189A8A09309_8A5F64A8AEAFA15E_6029_UN,8.844637,00000000000000000000001000000000110000000110000000010001001111001011000001010000010000111000001000101110011100001000010001101100111000101110001011011010010010111111110,XCFXUGWGTJBICX-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCN4CCNCC4C,B627DBC787C9DEE2_EECA97CB5263C32B_6034_UN,8.843589,00000000000000000001000000000000000000000010000000000000000000000100000000010001101101110011000010101100110110010001101011100100110100100110001011011011010110101111010,CVXBXSWWKOEEOU-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)[NH]C3=C2CNCC3)CC4(F)CNC4,F3C602C45ABB0ED4_E46379C71A7C67A3_6031_UN,8.841965,00000000100100000000000000000000000000000010000000000100000000000110000000000000101100110011000011101100110101011000001011010110110100100110001011010001011111110111110,QZCPWJGQRCQZLW-UHFFFAOYSA-N
+FC1=C(C(=C(C=C1)NCC2(COCCNC2)F)F)CC#N,9001A3D4E727BA1A_CF4D9CA7CE80BACF_6041_DP,8.841885,00000000000000000001000000000000000000000110000000000100010000000010000000000000101000110011000101001000100101011000001011000000110111110110001010010011010111100111110,GZXGJKHYQJXNET-UHFFFAOYSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,B22BE3FC9BDD9622_BE9C3882AF5BB990_6041_UN,8.841738,00000000000000000000000010000000000000000100000001000010100000010100001100000001001100000111011110001110110000010100001101101111001101010100001111111011110111111111110,YGHBSBYZTFBKNV-UHFFFAOYSA-N
+N3CCC(C)(COCC1=CC2=C(C=C1)OCCO2)CC3,E56273B325F2B742_9132F616C55D7770_6039_DP,8.841383,00000000000000000000000000000000000000000000000000000000010000000010000010000000001000100001000000101100110011011101101011000010110010000110000011110001110101111111110,ZIWNATGQAKBOQX-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)F)N[C@H]2CNCC[C@H]2C3=CC=C(OC)C=C3,D883297B144FB9A9_E413597DCD9812F2_6041_DP,8.841336,00000000000000000000000000000000000000000010000000000010000000100000000000000001001000110011010000101000100100010100001001000111110101110110001111010111110011101111110,RJWSBVFNCMBOOM-HKUYNNGSSA-N
+CC1=C(C(C3=C(N1CCOC2CCNCC2)C(=CC=C3F)F)=O)C,64308CAD706600F5_98A54AC50F412EEB_6034_UN,8.840825,00000000000000000000000000000000000000000010000000000000000000000100000000010000001001110001000101101100110111010100101011100111110010100110001111011111111111111111110,AFXTXESQFUWLRV-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3=C(C=CC(=C3)F)C#N,B8556C1585FF1091_E98BD5BA7D697D20_6039_UN,8.840669,00000000000000000000000010000000000000000110000001000000100000010100001100000000100100010100001110000110010101000100000101101111001001110100001111101011110111110111110,MZJAFQAVRZAPPV-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC3=C2CNCCC2=C(C=C3)F,461870541387B740_C30648B5560F4A69_6035_UN,8.840605,00000000000000000000000000000000000000000010000000000000000000000000000000010001001001110011000101101100110110010111101011100011110110100110001111011111110111101111110,CSBFMIWFWAOFSW-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)F)Cl)CC3(OCC)CNC3,A52095E5AFB05420_C1B3EB981937C5A2_6034_UN,8.840338,00000000100100000000000000000000000000000010000000000000000000000110000000010000101111110011000110001101110111011010001011100111110110100110001110011011110111101111110,DNSHMMJLOPTQSI-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)F)F)CC3(OCC)CNC3,F04B69F5A93F61AA_27C7AD1B5FD2B63B_6034_UN,8.840326,00000000100100000000000000000000000000000010000000000000000000000110000000010000101111110011000110001100110111011010001011100111110110100110001110011011110111101111110,MUAJRYQZAWJLSE-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)Cl)F)CC3(OCC)CNC3,826E2CD35D730A77_A3817B82DADEEABC_6034_UN,8.84032,00000000100100000000000000000000000000000010000000000000000000000110000000010000101111110011000110001101110111011010001011100111110110100110001110011011110111101111110,FAMXVYKWWWKBKB-UHFFFAOYSA-N
+COCC(C)(OC1=CC2=C(C=C1)CCCNC2)C3=CC=CC=C3,825AF4E62D7BFD19_0A308F0D7E13755C_6035_UN,8.84016,00000000000000000001000000000000000000000000000000000000000000000010000010000000001000100011010000001100110001011101001001000111110010000110000111010101110101111111110,SQOMCTVITBHXSM-UHFFFAOYSA-N
+N2C[C@H](OC1=C(C=C(C=C1)OC(F)(F)F)F)C[C@H]2CN,1EC9C969BC9AB980_58B0349D8FA453DF_6035_DP,8.84011,00000000000000000000000000000000000000000010000000000010000000000000000000000001001110010011000111001000101100011100000001000011110110100110001110000011110111110111110,UVSPCQFXMZRGLT-IONNQARKSA-N
+CC5(C)CCC1=C(C4=C(N1CC3(CC2=CSC(=N2)C)CCNCC3)C=CC=C4)C5,B2AE252F8B23AE4F_675DFC7F3C8A9571_6034_UN,8.839563,00000000000000000000000000000000000010000000000100000000000000000110000000110000011101101001000010101100110010011001101011100100110000000110011011011101010110101111010,OPYOJAHNKCCICY-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC(=C3N)N)Br,5C0D1188D663B470_65CD55767C9FD1C7_6035_UN,8.839501,00000000000000000000000000000000000000000010001000000010000000100010000000000001001110110011000111001000101100011100001001000111010111110110001111010011110011100111110,SZFBHGHQOZTNMA-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)C#N)C)NC(C2CCNCC2)(C)C,4B6B2B22CFE8A66E_D4A39BD99E1B5AC4_6041_DP,8.839355,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100011000000101000100010011000101001000000110101010110011011010111010010101111010,RXMVNCNJGZMVCP-UHFFFAOYSA-N
+FC2=C1N=CC=C(C1=C(C=C2)F)NC4=C(C=C(N3CCN(CC)CC3)C=C4)C,F8DCBB6EE0547E7E_DFAE45674A2E9DB5_6041_UN,8.839344,00000000000000000000000000000000000000000010000000000000000000100100000000010001100001110000000000101100010110010010101011100100110001110110001011011111010110101111010,KRPQIWKNYHSTEE-UHFFFAOYSA-N
+FC1=C(N=C(C=C1)N[C@H]2[C@H](CCNC2)C3=CC(=C(C=C3)F)F)C#N,DA583430825F1ACD_0EF576A5E11F6652_6041_DP,8.838654,00000000000000000000000000000000000000100110000000000010000000100100000000000101001000110011000000101000100100010000001011000100110101110110001011010011010010100111010,SPUIYRNXZFWJLR-BDJLRTHQSA-N
+CC1=CSC(=C1)[S](=O)(=O)NC2=C(OC)C=CC(=C2)CN(C)C,B48F50D9DBD4B203_75498238BFA652EF_6026_UN,8.838536,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101001011110001010001000001101010000101111001001011100011110101111110111111111110,QLIIJZQLPSOWDI-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=C(N)C=NC=C3Br,146B3818DBDBAA01_D412CAB1E0FD2D3E_6035_UN,8.838479,00000000000000000000000000000000000000000000001000000000000000000110000000000001001110110011000111101001100100011100001011000111110111110110001111010011110111100111110,HJGMAGBOSGXMOD-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=C(N)C=NC=C3I,B40B9F3BFEF3B8A9_99526A3502F9C5B9_6035_UN,8.838473,00000000000000000000000000010000000000000000000000000000000000000110000000000001001110110011000111101001100100011100001011000111110111110110001111010011110111100111110,ASJFVVXXEFCJHK-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=CC=C2)C3=NC(=C(C=C3)Cl)C(F)(F)F,04EA77286082C969_F4CBDF883950FDBD_6035_UN,8.838197,00000000000000000000000000000000000000000010000000000000000000000110000000000000001100110011100111101001101100111100011011000111110010100110001111010011110111100111110,XOCHLBBBKKBBMV-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)COCC2=CC(=CC(=C2)C(F)(F)F)N)OC,A010D95679A9A5F8_D19EFDA68F372EC8_6039_DP,8.8380375,00000000000000000000000000000000000000000010000000000000000000000000000000000000000010100101010000000000001111001100000000000111000001110010000111100111110111111111110,NCIIWXNDEBUUPW-UHFFFAOYSA-N
+CCC4CCC1=C(C3=C(N1CC[C@H]2CNCC2)C=CC(=C3)C)C4,82E914257553194D_D8A86C8B7F067091_6034_UN,8.8377285,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101100011000010001100110010010010101011100100110000000110001011011101010110101111010,YHFLLLPJLKHBJQ-DJNXLDHESA-N
+CC1=NC2=C(C=C1)C=CC(=C2F)NC3=CC=C(CO[Si](C)(C)C)C=C3,8642C31C94638B5E_833A56A73F5A7339_6041_UN,8.837255,00000000000000000000100000000010000000000010000000000000000000000100000000100000100000110000010000100110010101001000100001001110000001110100011011001111010111101111110,BMBKDJSBSYCUAU-UHFFFAOYSA-N
+O(C2=C1C=CC=NC1=CC=C2Cl)C4=C3CCNCC3=C(C=C4)[N](=O)=O,21A44BFA29068030_0C6D1AE290744CA4_6003_DP,8.837164,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000110001001001101111110100010100001111101111111001110110001111111011110011110111110,NVUZMEZBIATZIM-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=CC=C(C=C2)C3=CCNCC3,D8DEFB1E43D2FA72_C756A3471D818C86_6035_UN,8.8365965,00000000000000000000000000000000000000000010000000100000000000100000000000001000001000100011000001111000101101011100001011000011110100100110001101010011110111100111110,ORRYHCOJJYSHNM-RDJZCZTQSA-N
+CSCCC1=CC=C(C=C1)NC(=O)C3=NC=C2OCCCC2=C3,FFDAC81F38F61E82_D6E12E465F36D160_6038_UN,8.836353,00000000000000000000000000000000000000000000000000000000010000000100000000000001000000101000110100100100010001100101111011000100100011010110001011010001111111111111110,QEMVVUQPKCXDKI-UHFFFAOYSA-N
+C(C1CCCCC12CCC2)=CC3=C(O)C(=C(C=C3)Cl)I,9B269977D6CCA83C_33B9184A48C8A616_7019_UN,8.836122,00000000000100000000000000010000000000000000000000000000000000000010000000000000000000010000000000010001010100001100001000000001110000100001000111010010100001000011110,JMSWPBRVGSSCMQ-UHFFFAOYSA-N
+C(C1CCCCC12CCC2)=CC3=C(O)C(=C(C=C3)F)F,97A6B2D76C2C0326_4B96D95CB6428022_7019_UN,8.836122,00000000000100000000000000000000000000000010000000000000000000000010000000000000000000010000000000010000010100001100001000000001110000100001000111010010100001000011110,FWKMRCWVNQMLCF-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)N[S](C3=CC=CC(=C3)COC)(=O)=O,F6C3CC4922B3FDAC_C050F7030AC2C92E_6043_UN,8.835863,00000000000000000000000000000000110000000100000000010101001111001101010001000000110100101000011010000110011001001001010001001110001101011100001001101001010111111111110,XNINTUYAOFYIKJ-UHFFFAOYSA-N
+N2CCC(C=CC1=C(N(C)C)C=C(C=C1)C(F)(F)F)(CC2)C#N,76C999C34F87F6DA_FDD9E6B6EA4BC808_7019_DP,8.8357315,00000000000000000000000000000000000000000110000000000000000000000010000000100000001001100001010000111000101100011000001001100000110001110110001011011111010010101111010,VKYRRWCZDOGAGU-UHFFFAOYSA-N
+FC1=C(C=CC=C1NC[C@@H]2CNC[C@H]2C3=CN=C[N]3C)CC#N,3BDD440E2B4E896A_E9EA6D2B52C91DE6_6041_DP,8.835711,00000000000000000000000000000000000000000110000000000100000000100100000000010101101101110011010010001000000110010000000011100100110101110110001010001011010110101111010,SVWVENFPKFXIER-UONOGXRCSA-N
+CSC1=CC=C(C=C1)[S](=O)(=O)NC2=C(OC)C=CC=C2SC,64B4138B643A211A_1C71C17601D4EE96_6026_UN,8.835555,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000001000011100000010001000001100010000001111001001011000010111101111100011111111110,VXSPAZBRNAIBAB-UHFFFAOYSA-N
+O(C1(CCC1)C2=C(C=CC=C2)F)CC4=CC3=C([N](N=C3C)C)N=C4,ABFD27ED31BB51F2_F7FB4D309CE6E56F_6039_UN,8.835339,00000000000100000000000000000000000000100010000000001000000000100110000000010101100100010000011011100100010101001000001011101111110010100100001111011110110111101111110,HGJRRGNANFNLRP-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CC=NC1=C(C=C2)N[C@H]3C4=C(OCC3)C=C(C=C4)F,10F0842AF83191A4_A8851657B12A086D_6041_UN,8.835222,00000000000000000000000010000000000000000010000001000000110000010100001100000001100000010010001001100110110101010100001111101100001011110100001011111001110011110111110,XQHXSSVCRXPGFG-CQSZACIVSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NC(CSC)(C)C#N,28E236787196833D_1D38CBB7799A7461_6041_UN,8.835217,00000000000000000000000000000000000000000100000000000000000000000110000000000001000000101000010000100100110000011001000001000100000001010100001001000101010110101111010,DNRDUNBVURQWCD-UHFFFAOYSA-N
+CC1=C(C(N(C(=C1)C)C)=O)C(=O)OC[C@@H]2CCCN[C@@H]2C(F)(F)F,AEF1CDFD4A665656_BC6980C412432F1E_6031_UN,8.835081,00000000000000000000000000000000000000000010000000000000000000000100000000010000001001000111110001101000101101111100011011110011110000101110011111111111011111111111110,ZXWOMFCWZCHUKY-AAEUAGOBSA-N
+CC1=C(SC=C1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,E301759FCD66B1F0_D8FC6013161DC60D_6026_UN,8.835064,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101000011111000010001000001100010000101111001001011100011111101111100011111111110,ZDXCIOSECVLSLI-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC=C4CCNCC4,233625877DB78E2B_C55BD8A2B4BE6BE4_6034_UN,8.835,00000000000000000000000000000000000000000010000000100000000000100100000000011000001101110001000010111100110100010000001011100100110000100110001011011011010110100111010,QATBRQRWLQGONG-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)OCCSC2=C(C=C(F)C=C2)F)C3,F014EB61CAD69BC1_D700382EE8C7C3E3_6039_DP,8.8349495,00000000000000000000000000000000000000000010000000000000000100001000000000000000011100111001000010001100010101000100001001000111010010100110000111010011110101100111110,DUZLTNRHTQJJEP-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)[NH]C=C2C3CCC3)N[C@@H]4CCN(CC)[C@H]4C5=CC(=C(C(=C5)F)F)F,B03F6F1DBC1005A8_4A698A76984B4A18_6041_UN,8.834924,00000000000100000000000000000000000000100010000000000000000000100100000000010101100101110011000010101100110110010010101011100100110101110110001011011011010110101111010,DXMNRLHXSBTGOY-IRLDBZIGSA-N
+C1(=CC2=C(C=C1)[NH]C=C2CC#N)NCCCN(OC)C,DE1B745C092855A4_7F6BBFE108F68473_6041_UN,8.8349,00000000000001000000000010000000000000000100000000000000000000000100000100000000101100100011011010001110110010010001101001101110000111010110001000011101010111101111110,HUJGNPHYWICYHH-UHFFFAOYSA-N
+CCCC1=CC=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)N(C)C,22A113A8A7C61DEB_4D3FBF0FC393F060_6026_UN,8.834057,00000000000000000000000000000000110000000000000000010001001111001001010001100000110001111000011000000011001100001011011000101100001001111000011011011111000110111111110,WCNBSHNDKASEDK-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C#N)F)N[C@@H]3[C@@H](CCNC3)F,8CB9EA21DDE5C4E1_4BF7596EBDDA1270_6041_DP,8.833914,00000000000000000000000000000000000000000110000000000010000000000000000000000001001000110011000001101000100100010100001001000111110101110110001111010011110011100111110,SVEXMRNXFOCKOX-PBHICJAKSA-N
+N1CCC(CC1)C(C)(OCC2=CC=C(OCC(F)(F)F)C=C2)C(F)(F)F,0DE09C95A05D9B09_4EF0FE2DA7640058_6039_DP,8.833809,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000100001000000101000101111011100101001000011110000100110000101010001110101111111110,GSFOOVUAJAGSET-UHFFFAOYSA-N
+CC1=C(C3=C([N]1CCC2CCCCN2)C=CC=C3)C4CCNCC4,ED6E9A85DA3EE57C_7339F479FC5B7849_6034_DP,8.833499,00000000000000000000000000000000000000000000000000000000000000100100000000010000101101100011000010101100110010010000101011100100110100000110001011011011010110101111010,NGYGCSQAWMLZGT-UHFFFAOYSA-N
+FC2=C1C=NC=CC1=CC=C2NC[C@@H]3OCCN(CC)[C@H]3C4=C[N](N=C4)C,6C347B8B4CE2F34E_9D3A5C9601E61078_6041_UN,8.833327,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101100010111010010101011101100110011110110001011011111110111101111110,CASJISJAHJEBCC-ICSRJNTNSA-N
+NCC1=NC(=CC=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C,5B30BA452C621D23_B90F44ED012CA712_6006_UN,8.833019,00000000000000000000000000001000000000100000000000000000000000100110000000100101101010100000010001101000000001011101000011010111000000000110011111000111110111111111110,XPMCZPLDGPRTIS-UHFFFAOYSA-N
+[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)NCC3=C(N(C)C)C=CC=C3,B70AD2E35612BC86_280146439D30395E_6026_DP,8.832812,00000000000000000000000000000000110000000000000000010101001111001101010001100000111101101000011011001110011010001000010001101100001101011100001011001111010110111111110,XFMOSMSMGOSIIN-UHFFFAOYSA-N
+FC(F)SC2=NC1=C(C=CC=C1)[N]2CC3CNCC34CCNCC4,152E31C16C02E696_D0B7279D17E16E66_6034_DP,8.832516,00000000000000000000000000000000000000000010000100000000000100001110000000010101111101101011000010101100111100011000001011100100110100100110001011011011010110100111010,TZVKDXGDCPNFFX-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)NC2=CC(=C(C=C2)F)CC)[N](=O)=O)C,4D311EE1A878E8CF_0C9C510D488A8B8C_6041_UN,8.83245,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010001011001000010000100000110000100101111001001110000011111101111100111111111110,AMJPTTKGBNUQKG-UHFFFAOYSA-N
+NC3CC(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)C3(C)C,602AC7E4CB83E65C_C21BB4E306289F26_6035_DP,8.831991,00000000000100000000000000000000000000000000000000000000000000000010000000110001001011110001000001101001100100011100101011100011110111100110001111011111110111101111110,KGLGINRIXCOHRZ-UHFFFAOYSA-N
+CC1=CC(=CS1)[S](=O)(=O)NCC3=CC2=C(C=C(OC)C=C2)C=C3,7BDB1C12B4150F4D_236E9ED5FE015892_6026_UN,8.831905,00000000000000000000000000000000110010000000000000010001001111001001010001000000011100001000011010001110011000001100010000001111001000001100000101101101110111111111110,GLTOIFSRPQNWKE-UHFFFAOYSA-N
+NCC2(OC1=C(C=CC=C1)SC(F)(F)F)CCCNC2,91EC73E8BB511252_879EBCF4A63027E9_6035_DP,8.831895,00000000000000000000000000000000000000000010000000000100000100001010000000000000111010101011000100101000101100011100001001000011110110100110001111010011110101100111110,LZDBCUSJXURPCD-UHFFFAOYSA-N
+O([C@H](CF)C1=CC(=CC=C1)Br)C3=C2CCNCC2=N[N]3C,B541AD4210071BD4_20984B4475305729_6035_UN,8.831635,00000000000000000000000000000000000000000010001000001000000000000100000000010001101100110001111111101100110110110100011011101111110010100110001111011011110111101111110,YFYZJBFTJFNEAI-CQSZACIVSA-N
+O([C@H](CF)C1=CC(=CC=C1)F)C3=C2CCNCC2=N[N]3C,C494D13A5D636B90_AE8977BD5FC8B2A0_6035_UN,8.831624,00000000000000000000000000000000000000000010000000001000000000000100000000010001101100110001111111101100110110110100011011101111110010100110001111011011110111101111110,UYBINLZVPAVFSF-CQSZACIVSA-N
+O([C@H](CF)C1=CC(=CC=C1)Cl)C3=C2CCNCC2=N[N]3C,EB8D2B4E05BD3410_C9EBC333AB6763E9_6035_UN,8.831618,00000000000000000000000000000000000000000010000000001000000000000100000000010001101100110001111111101101110110110100011011101111110010100110001111011011110111101111110,NYRMMMMDRGSWDO-CQSZACIVSA-N
+O([C@H](CCl)C1=CC(=CC=C1)Br)C3=C2CCNCC2=N[N]3C,C8F8E73CB738F6C4_84451FB29CBCC8BE_6035_UN,8.83161,00000000000000000000000000000000000000000000001000001000000000000100000000010001101100110001111111101101110110110100011011101111110010100110001111011011110111101111110,MTKBSIMSDXOTJZ-CQSZACIVSA-N
+N2CC(OC1=CC(=C(C(=C1)F)C(F)(F)F)F)C(C2)C#N,AC789B401420E019_FE3C8B1BBBFD425D_6003_DP,8.831567,00000000000000000000000000000000000000000110000000000000000000000000000000000000101100110001000111001000001100001100000001000011010010100110001110000011110001100111110,JKEKTKDHWNIYNC-UHFFFAOYSA-N
+CC(C)(C)C1(CNCC1)OC3=CC2=C(C(=C[N]2C)C)C=C3,DB151C7854F692CF_624F98AF4CD75119_6035_UN,8.831282,00000000000000000000000000000000000000000000000000000000000000000110000000110000001101100011010111001100110010011100101011100111010010000110011100011101110011101111110,RFCIJVNTJVFWLV-UHFFFAOYSA-N
+CN(C)C[C@H]3C[C@@H](OC1=C(C)C=CC2=C1C=CC=C2)CN3,8AFDC9FCD3B0128E_6E42B763BAC0789B_6035_UN,8.830978,00000000000000000000000000000000000000000000000000000000000000000000000000100001001101100011010111001100110010010101000001100111110010000110011111001111110111101111110,RYVKDFUBLMOUDP-HZPDHXFCSA-N
+N(CCC1=C[NH]C2=C1C=C(C=C2)[N](=O)=O)C(C4=CC3=C(CCN3C)C=C4)=O,B526223AEBAE2FC5_B53BEBCBCA55D7C7_6038_UN,8.830775,00000000000000000000000010000000000000000000000001000000100000010100001100010000001101100011111010001110110010110001111111101100001101011110001011111001011110111111110,SMZBOCKBXYKAMX-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NC3=CC(=C(OCC)C=C3)[S](=O)(=O)N(C)C,A6D69C20EC9F10A2_7DF63EF03BD82713_6041_UN,8.830684,00000000000000000000000000000000110000000100000000010101001111001101000001100000110100101100011011000110011001001110010001101111001101011100011111101111110111111111110,VLKKOVJSCUIAAK-UHFFFAOYSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NC2=C(C)C=CC(=C2)C3=CC4=C(C=C3)OCCO4,66962B08C5909FFA_74DBC9992ECC7D2C_7022_UN,8.830174,00000000000000000000000010000000000000100000000001000000110000110100001110000101000000000000001100100110010001000100001111101100001011010110101011111011110011111111110,ZDZIYIGWEFVDOB-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N3CC(C3)OC4=CC=NC=C4,3E369E1EE00D41C0_7C860810CE79714D_6026_DP,8.829897,00000000100100000000000000000000110000000000000000010001001111001101000001010000110100101000011111101110011000001100010011101111001010001110101101101001110011111111110,ZOQKNMMUMGIPPE-UHFFFAOYSA-N
+COCCC4(COC1=CC=CC(=C1)N2CCNCC2)CC3OC3C4,EFD38C459F68B3DE_9D69241B77B14FCD_6035_DP,8.829645,00000000000000001000001000000000000000000000000000000000010000100010000000010001001001100001010011101000110001011101101011100011110011010110001101111001110111111111110,ASQUHTYXVHKRCU-UHFFFAOYSA-N
+O=[N](=O)C1=CC4=C(C(=C1)NC2=CC(=C(OC)C=C2)N3CCOC3=O)[NH]N=C4,EDCF50F24BD0260A_24093C1A8C3B368F_6041_UN,8.828627,00000000000000000000000110000000000000000000000001001010110000110100011100010001100101000000011110001110011001110100011111111111001111011110101111111011111011111111110,UVFFODUMPDBFPX-UHFFFAOYSA-N
+CC4=CC1=C(C=C(C=C1C)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F)[NH]4,1D39AFDB0659A7B4_29C8EA53DD8A46F2_6041_UN,8.828413,00000000000000000000000000000000000000100010000000000100000000000100000000010101101101110011010010001100010100010000100011100100110101110110011010001111010110101111010,UEUSFEAYOTXPME-RDJZCZTQSA-N
+N4CCC1=C(C=CC(=C1F)NC(C2=CC=NC3=C2CNCC3)=O)C4,8AA4DE71EF962157_E85DC4D727E383AA_6038_DP,8.828175,00000000000000000000000000000000000000000010000000000000000000000100000000000000101000110001100000101100110100110000011011000100110101110110001011010011011010100111110,BSENQECWQHNPKQ-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NCCC2=C(C)C=C(C=C2)F)F,6342CB3852F0DB63_8C4E59F36CC66E32_6041_UN,8.828159,00000000000000000000000010000000000000000010000001000000100000010000001100000001001000010000001001001010100110010000101100101100001001110000001011011111010110111111110,VCKNLUNTAIOUPZ-UHFFFAOYSA-N
+NC34CC(COC1=CC2=C(N=C1)C(=C(Cl)C=C2)Cl)(C3)OC45CCC5,E56EF820C6EF2ED1_F61A968342869670_6035_UN,8.828072,00000000000100000000000000000000000000000000000000000000010000000110000010000000000110010011000111100101110101011100001011000111110011100100001111010011110111110111110,AUBJFCYWWVHUOF-UHFFFAOYSA-N
+CC[C@H](OC1=C(C(C)(C)N)C=CC(=C1)Cl)CN2CCNCC2,94CFF94CCFD7D584_1E7D789E1EB633A1_6035_UN,8.828068,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011110001000101101001100100011110101011100011110110100110011111011111110111101111110,HETZMWVHBQESCF-AWEZNQCLSA-N
+NC34CC(COC1=CC2=C(N=C1)C(=C(F)C=C2)F)(C3)OC45CCC5,5BB520DC05355C70_867FE10550F5B198_6035_UN,8.828064,00000000000100000000000000000000000000000010000000000000010000000110000010000000000110010011000111100100110101011100001011000111110011100100001111010011110111110111110,RVJFNJMCUDQGCQ-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)[S](=O)(=O)NC3=C2N=CC=CC2=C(OCC)C=C3)C#N,E950FF10F3B1A66B_F1E1731468D85C96_6026_UN,8.827685,00000000000000000000000000000000110000000100000000010001001111001101010001000001010000001000001001100110011001001110010001001111001001011100001111101111110111111111110,BJWNZOLBFQYURY-UHFFFAOYSA-N
+FC2=C1C=NC=CC1=C(C=C2)N[C@@H]3C[C@H](OCC(C)C)CCC3,4E29BA0A3E5DD3FD_3DA66796A21AA9AD_6041_UN,8.827634,00000000000000000000000000000000000000000010000000000000000000000100000000100000000000010011000001100100110101010001001001000111110011110100001101010101110111101111110,KNFIHUDGGRHUTG-LSDHHAIUSA-N
+O=[N](=O)C1=C[NH]C2=C1C=C(C=N2)NC3CN(CC3)C(=O)N,96CB6297A5414364_744B48AAD30EEC25_6041_UN,8.827587,00000000000000000000000010000000000001100000000001000000100000010100001100010101100111100011001011101110111000110000011111101100011101011110001000111001011010110111110,FHBGMZNHXJPGEH-UHFFFAOYSA-N
+CSC1=NC=C(C(=C1)C)NCC2=CC=C(COCCOC)C=C2,C19D6E9366B91484_7A9091E327DA8106_6041_UN,8.827158,00000000000000000000000000000000000000000000000100000000000100001100000010000001011000101000010000101000000011000001101001000110010011010110011011010111010111111111110,CBLUHIZRDITIOI-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CC(F)(F)CC=C,89F596DFA1436DDB_5C06B3E6B09DF7D7_6034_UN,8.827094,00000000000000000000000000000000001000000010000000100000000000100100000000011000001101100001000010111100110100011010001011100100110000100110001001011001010110101111010,CAMRSDBNIHLKBA-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC2=CC3=C(N=C2)CCC3,31028885C0B5EA15_9093696EB2E78705_6026_UN,8.827064,00000000000000000000000000000000110000000100000000010001011111001101010011000001010100001001001110100110011000011000011011001100011001011100001010111001100010110111110,ZBPIWYGGUTVUAO-UHFFFAOYSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CSC=C2)C3=C(C=C(N)C=C3I)I,016E20300A479205_035C2F39D08F1605_6035_UN,8.826823,00000000000000000000000000010000000010000000000000000000000000100000000000000000001110111011000011001000000101000100000011000111110101110110001110000011110111100111110,SSTYSDFCIAWFJM-JQWIXIFHSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CSC=C2)C3=C(C=C(N)C=C3Cl)Cl,0BA8B4BE2180608A_B5575B1FAC4BA815_6035_UN,8.82681,00000000000000000000000000000000000010000000000000000000000000100000000000000000001110111011000011001001000101000100000011000111110101110110001110000011110111100111110,YPAGKMUSONMVTB-JQWIXIFHSA-N
+O(CCCC1=CC=C(C=C1)F)CC2=C(CC)C=CC(=C2)[N](=O)=O,E1ABD52ABAA236F5_0123BC88EDF8C977_6039_UN,8.8259115,00000000000000000000000010000000000000000010000001000000100000010000001100000000000000110000001000000010000111000010001100101110111011110010000011111010010111111111110,HSUDCDLSTHEXCH-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C2C(=CC=C1)C=NC=C2)N4CCN(C3=CC=C(C#N)C=C3)CC4,7DF6D3BF436B1EC6_06B18AEB1B2B8CA5_6026_UN,8.825748,00000000000000000000000000000000110000000100000000010001001111101101000001010001010001101000001000101110011000011000011011101100111001011110001001011000010010110111110,WBFBAVZGMFDKIJ-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)N[C@H]3CCCNC3,29B44212B240DB65_F0B37EADB6269335_6041_DP,8.825732,00000000000000000000000000000000000000000100000000000010010000000000000000010001101001100011000100101000100001010000001011100000110111010110001011011011010011100111110,VHMFMKKSVOTDLE-MBIQTGHCSA-N
+N(C1=CC2=C(C=C1)COCC2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,9719B2065E8A5CC2_EF4386788336F8AD_6029_UN,8.825695,00000000000000000000001000000000110000000100000000010001011111101011010001000000010000101001001000100110011001001000011000001100111011011110001011111001010011110111110,NUOGYAAJHGDZPS-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=C(C)C=CC(=C3)I,B5033C5976549849_C8A45F3732E33C30_6035_UN,8.825535,00000000000000000000000000010000000000000000000000000000000000000000000000000000001100110011000111001000000100000100000001000111110010100110000111000011110101101111110,YYTVDNWIIZYUJM-CRAIPNDOSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=C(C)C=CC(=C3)Cl,368073C88D8374D3_EC0A9F98FF59D73A_6035_UN,8.82553,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100110011000111001001000100000100000001000111110010100110000111000011110101101111110,IQBHRPYTDKBDBY-CRAIPNDOSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=C(C)C=CC(=C3)Br,C32809AB9CA6D051_5B1E1C5542A8DD78_6035_UN,8.825527,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100110011000111001000000100000100000001000111110010100110000111000011110101101111110,SICUGIRLMRLUDC-CRAIPNDOSA-N
+O([C@H]1[C@@H](CNC1)CC2=CC=CC=C2)C3=C(C)C=CC(=C3)F,E18441FB49875ED0_CB08274C82F84B0F_6035_UN,8.825525,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100110011000111001000000100000100000001000111110010100110000111000011110101101111110,YNILRLJXDABAGT-CRAIPNDOSA-N
+C2(=C1OCCCC(C1=CC=C2)=O)NC3=C(C=CC(=C3)F)SC4=NC=N[NH]4,653C88D7901C6285_82607FD34A73C6A2_6041_UN,8.82551,00000000000000000001000000000000000000000010000100001000010100001100010000000101110100011101001110000100011101000100001011001101000111110100001111010011111011110111110,WCZDWHVUOBWZDS-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=CC(=CS3)COC,8C444CAF320D50B1_4B39943E1CD655C3_6034_UN,8.825214,00000000000000000100100000000010000010000000000000000000000000000100000000110000010101101000010010001100010001001001000011100110100000000110010000001100010111101111110,SJOMENAHNUKSQP-UHFFFAOYSA-N
+O(CC1=C(C=C(C=C1)[N](=O)=O)Cl)C3=CC(=C2[NH]C=CC2=C3)C,09D90808069FF57F_B79BF64EFB8F3946_6035_UN,8.825119,00000000000000000000000010000000000000000000000001000000100000010100001100000000000100010000001010000111010101000100000101101111001001110100001111101011110111111111110,PASHCMSEXDRPLH-UHFFFAOYSA-N
+O(CC1=C(C=C(C=C1)[N](=O)=O)Br)C3=CC(=C2[NH]C=CC2=C3)C,E36A9548D9749169_77E9472F669FF647_6035_UN,8.825118,00000000000000000000000010000000000000000000001001000000100000010100001100000000000100010000001010000110010101000100000101101111001001110100001111101011110111111111110,SAMCPZJRSYMJAT-UHFFFAOYSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)NC4=C3N=CC=CC3=C([S](C)(=O)=O)C=C4,C900767756407975_E45D0089341C20D2_7022_UN,8.824736,00000000000000000000000000001000000000000000000000010001001111001101000001000001010000101001010100100110010001001101000001011111001001011100101111101111110111111111110,FEECXZBEEGHIHY-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NCC3C(CCNC3)(C)C,8D99B01E16EC6C38_F2D71939BE080CDD_6041_DP,8.824669,00000000000000000000000000000000000000000100000000000100010000000010000000110001101001100011000100101000100001011001101011100000110111010110001011011111010111101111110,GFAPEHXGHOXFSM-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)NC3=CC=C(CN(C)C)C=C3,73F4C24AE47A420D_017E28951BF48C05_6026_DP,8.824583,00000000000000000000000000000000110000000000000000010101001111001101010001100000110101101000011011001110011000001101010001101111001101011100011101101101110111111111110,FUCNZCZOKWUCNC-UHFFFAOYSA-N
+COC1=CC=C(C=C1)N4CCC(OC2=CC3=C(C=C2)[NH]C=C3CC#N)C4,44E3D2EB9E221436_21D2DEF2112050BC_6035_UN,8.824453,00000000000000000000000000000000000000000100000000000000000000100100000000010000000101100011010111001100010000010100001011100111010011010110001101011001110111111111110,WSBLVDWKHMYPPU-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)NC4=C2C=NC=CC2=C(N3CCN(C)CC3)C=C4)F,C7BEC5CEDA3C1379_4946DB5FFE2EB8CF_6041_UN,8.824121,00000000000000000000000000000000000000000010000000000000000000100100000000010001100001110000010000101100010100010001101011100100110001110110001011011011010010101111010,RRUJKTWVFDVLSD-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NC3=CC(=C(OC)C=C3)[N](=O)=O,09BED7C7C25A6CE5_6A7809062B7584F7_6041_UN,8.824101,00000000000000000000000010000000000000000100000001000100100000010100001100000000100100000100011110000110010000000100000101101111001101010100001111101011100011111111110,VLCIBOLGZKSWGS-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C4=C(N2CC3=CC=C(OC(CC)C#C)C=C3)CCNC4,B2CB0F18B662A34F_D311550C2413FA28_6034_UN,8.82401,00000000000000000100000000000000000000000000001000000000000000000100000000010000101101110001000010101100110100010110001011100111110010100110001111011001110111101111110,UUECHOJCVDIBQR-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C4=C(N2CC3=CC=C(OC(CC)C#C)C=C3)CCNC4,A981664DB34DDC84_A7082D9C6E8A412E_6034_UN,8.823987,00000000000000000100000000000000000000000010000000000000000000000100000000010000101101110001000010101100110100010110001011100111110010100110001111011001110111101111110,JOCONMQVKZPCTN-UHFFFAOYSA-N
+O=C2C1=C(C=CC=C1)N(C3=C2C=CC=C3)CC4(CCNC4)C(F)(F)F,BA62D63C0EEC20F0_7425BDC4044A63FC_6034_DP,8.823813,00000000000000000000000000000000000000000010000000000000000000000110000000010000101101100011000011101100111100011100001011100101110000100110001101011001111110100111110,RTFHQAAVYMBGJY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=CS1)C#N)NC2=CC4=C(C=C2)OC3(CCC3)C=C4,F141C4D95159D805_E4AAD15F9398F432_6026_UN,8.823781,00000000000100000000000000000000110010000100000000010001011111001011010001000000010100001000001010110110011000001100011010001100001011011100001011111011100011110111110,QNRAKZBVZHGHML-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C3=CC=CC4=C3C(NC=N4)=O,EC03714378744A0F_482126006410F763_6003_UN,8.82377,00000000000000000000000010000000000000000000000001000000100000010100001100000100100100000100101111100110010000100100010111101111001101011100101111101011101011110111110,DARACXOMPRTWDY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)NCC3=C(N(C)C)C=C(C=C3)C,8ACCA3CB96D5BE2D_28CF9F512731AA6C_6026_UN,8.822827,00000000000000000000000000000000110000000000000000010001001111001101010001100000111101101000011010001110011010001000010001101100001101011100011011001111010110111111110,ZABHBCNOIRXYGE-UHFFFAOYSA-N
+C1NCCN(C1)C3=CC2=C(C=CC=C2)N3CC4(CCOC)CCC4,A3F3CAF6044E3776_280F6BD5B95B9B53_6034_UN,8.822795,00000000000100000000000000000000000000100000000000000000000000100110000000010101001101100001010010101100110001011001101011100110110011010110001011011011010111101111110,CLRMTAGSPGVINK-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)C[S]2(=O)=O)NC3=CC(=C(N(C)C)C=C3C#N)C,A3BA61A1E44C8358_C48B40DC9412B5AB_6041_UN,8.822769,00000000000000000000000000000000000010000100000000010001001111000001000001100000110101101100010010000110010000001000000000101101001011011100011111101111111010111111110,KBGORVNIVJZLDP-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)[S](=O)(=O)NC4=CC(=C(CC)C=C4)OC,B0904284C1D35723_A6859B3F955235D0_6026_UN,8.822655,00000000000000000000000000000000110000000000000000010001001111001001010001010000010101001000111011000110011010101110010001101111001001011100111111101111101111111111110,CMYIPPGKWQUOHM-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C3(OCCC2CCNC2)CCNCC3,E0D879D5D18853E3_B074DB1E5EBAAAC7_6039_DP,8.8226185,00000000000000000000000000000000000000000000000000000000000000100010000000000000001100100011000011101000100011011000001011000011110110000110001111010011110101101111110,ZAPGBMCDJMROFI-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)N=C=S)NC2=CC3=C(C=C2)COC3=O,4B44CE1197F9C7B8_A96C4EA0144E1DED_6041_UN,8.822378,00000000000000000000000000000000000000000010000100000000010000000000000001000011000100011000000010000100010101000000000100010101000001110100001111000011011011110111110,RFTDBAVMKLLKSA-UHFFFAOYSA-N
+CC1(C)COC2=C1C=C(C=C2)NCC3=CC4=C(C=C3)CNCC4,FD5996AF5157D454_CF58D6F37EF4A30A_6041_DP,8.821996,00000000000000000000000000000000000000000000000000000000010000000010000000100000001100100001000010101100110001011101001011000100110101010110001011010101110111101111110,XUBSHMWSXVPPIQ-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC3=C2CCOC2=CC=C3,25AA65431BEFE7EA_A3CE17311F95EC62_6041_UN,8.82135,00000000000000000000000010000000000000000010000001000000110000010000001100000000100100010011001011000110010101000110001100101100001011110100001011111011110111111111110,GPERXUVKATWUEX-UHFFFAOYSA-N
+CN1C(=O)SC2=C1C=CC(=C2)[S](=O)(=O)NC3=CC(=C(OC)C=C3)SC,3E27F88833EC861F_8AE95E85F4B6A996_6026_UN,8.821228,00000000000000000000000000000000110010000000000100010001001111001101010001010000010101001000011010000110011000101100010011101111001001011100111111101111101011111111110,JRLPAHKXYHUOQO-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=C(C=CC=C1)C(F)(F)F)[C@@H]3CCN[C@H]23,E0D705BBB6C7260B_7E97FD9C1B22F411_6035_UN,8.820637,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100000011000011001000111110011100001001000011000000100100000110010111110011101111110,CWSMZMCBJSIJKA-ICCXJUOJSA-N
+COC1=CC2=C(C=C1)CCCCN2[S](C4=CC3=C(C=C[N]3C)C=C4)(=O)=O,3AD8873AA7932908_9C4E47C0E817B016_6029_UN,8.820304,00000000000000000001000000000000110000000000000000010001001111001101000001010000010101001000011011001110011000011100011011101111111000011100001111111100110011111111110,PSZFGIYQGHGMEO-UHFFFAOYSA-N
+CC3(C)CCC(COC2=C1C=CC=CC1=CC=C2C#N)N3,F719EFEA829011BF_689C5EF433048655_6035_UN,8.81971,00000000000000000000000000000000000000000100000000000000000000000010000000100000000100000010000111000100110011011101101001000111110000000100001111010111110111101111110,VVAGUYPDARCIHF-UHFFFAOYSA-N
+NC1=CC(=C(C=C1)Cl)C(=O)OCC2=CC3=C(C=C2)C=CC(=C3)CC#N,A181CCEA4939022E_338DC1178D448078_6031_DP,8.819699,00000000000000000000000000000000000000000100000000000000000000000000000000000000000010010000000000000101010101010000000000010110000001110000001011000011011111110111110,DVIPCYOXRULERF-UHFFFAOYSA-N
+NC1=CC(=C(C=C1)Br)C(=O)OCC2=CC3=C(C=C2)C=CC(=C3)CC#N,C57930BBFC5B1FE8_FEB981F1E125F85C_6031_UN,8.819662,00000000000000000000000000000000000000000100001000000000000000000000000000000000000010010000000000000100010101010000000000010110000001110000001011000011011111110111110,BSJZOWQKATXYOK-UHFFFAOYSA-N
+NC1=CC(=C(C=C1)F)C(=O)OCC2=CC3=C(C=C2)C=CC(=C3)CC#N,6C183E5D577F4A83_F26F3B9683E6E48D_6031_UN,8.819639,00000000000000000000000000000000000000000110000000000000000000000000000000000000000010010000000000000100010101010000000000010110000001110000001011000011011111110111110,BKPFANZSNZEGHA-UHFFFAOYSA-N
+FC2=C1N=C(OC1=CC=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,33943A68C5B32AE1_685348B66288154F_6041_UN,8.819523,00000000000000000000100000000010000001000010000000000000010000000100000000100100000100110000010110000110011101101000110011001110000001110100011001001101110111111111110,CRMWEGQWIRJQSC-UHFFFAOYSA-N
+CC(N)(COC1=CC(=CC=C1)CC2CNCCC2)C#N,9F756B884E7C07B3_6FD81EB32D0D31DC_6035_UN,8.819418,00000000000000000000000000000000000000000100000000000000000000000010000000000001001010100011000101101000100001011101001001000011110100000110001101010001110111101111110,GAEQMBNCUJLGOL-UHFFFAOYSA-N
+CN(C)C2CCN(CCCOCC1=CC(=CC(=C1)C#N)F)CC2,66D25EADD1C11003_25FFD37809F934BF_6039_UN,8.819356,00000000000000000000000000000000000000000110000000000000000000000000000000110000100001110000010001101000000111010000101001100010110011100110001001011100010111101111110,RTOHRVGYMNEBIN-UHFFFAOYSA-N
+CC1=CN(C(=O)N1C2=CC=C(C=C2)C#N)C[C@@]34[C@@](C3)(CNC4)C(F)(F)F,B6B8A489FA6F607A_B119C665A99D96B7_6034_UN,8.819346,00000000000000000000001000000000000001000110000000000000000000100110000000010101101101100011000010101000011110101100010011100101110001110110001111001011011110101111110,LIRVCUUYMGPFIC-IAGOWNOFSA-N
+CC1=CC(=C(S1)[Si](C)(C)C)NCC2=CC(=NO2)C3=CC=C(OC)C=C3,480A663B2929003D_3D7CD5D7C137B8D0_6041_UN,8.81913,00000000000000000000100000000010000010000000000000000000010000100100000100100000111100101000011111001010000000001100000011001111000011010100011110001111110111111111110,GUGHSHIWXPTOCL-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OC2=NC1=C(C)C=CC=C1C(=C2)C)CCOCC3,0A78CBA368700516_56BFB16523824480_6035_UN,8.81877,00000000000000000100100000000010000000000000000000000000010000000110000000100000000000100100110000100100010001101100011011000111110010000110010101011100110011011111110,IWYSEQXCPJVWMD-UHFFFAOYSA-N
+CC1(CC1)C2(C)CC2COCC3=CSC(=N3)C4=CC=C(CC)C=C4,D6D0E3D83366F890_0BBE4350F6E20254_6039_UN,8.81779,00000000000000000000001000000000000010000000000100000000000000100110000000000000010100101000000110000000000011011011100011000110110000000110010000010110010111001111110,FGSXFGIQUNEILT-UHFFFAOYSA-N
+CCCC1=CC=C(S1)[S](=O)(=O)NCC2=CC(=NC3=C2C=CC=C3)N(C)C,460268DCE897E4B5_753EC167ECB153B3_6026_UN,8.817724,00000000000000000000000000000000110010100000000000010001001111001101010001100100011101101000011010101110011000001011011011101100001001011100011001011101010110111111110,PXLQADUCYGFECY-UHFFFAOYSA-N
+N(CCC[N]1C=CC2=C1C=CC=C2)C(=O)C3=C[NH]C4=C3C=C(C=C4)[N](=O)=O,7F5E400A19992E1B_607AB3746C96456F_6038_UN,8.817522,00000000000000000000000010000000000000000000000001000100100000010100001100010000101101000010101011001110110000110000011111101100001101011110001001111001011110110111110,FSAIQQDZMUVHLW-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OCC1=CSC(=N1)C2=CC=C(CC)C=C2)CCOCC3,F15AA2245579CD0A_49A74D7F76228AA0_6039_UN,8.817515,00000000000000000100100000000010000010000000000100000000010000100110000000100000010100101100010110100000000001011010001011000111110010000110010101011100110111011111110,LTBWIOBFAPGTON-UHFFFAOYSA-N
+CSC1=C(C(=CC=C1)NCC2=C(OCCOC)N=CC=C2)C#N,5EF5AFE5B9D988C8_03861EF729AFDC6F_6041_UN,8.816382,00000000000000000000000000000000000000000100000000000000000100001100000010000000111000101000110001101000000001100101111001000111100011010110001111010111010111111111110,LIQKFNBASZSYPH-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C(CCl)C(=O)N2CC4(C)CC3=C(C=CC=C3)C4,6B0DDCA68AF61BB9_B20CAE1541241E27_6034_UN,8.816288,00000000000000000000000000000000000000000010000000000000000000000110000000010000000001010000100010101101010100101101010001100101110000100110000111001010011110101111110,VCKUXEJFMKJELR-UHFFFAOYSA-N
+CC2=C(C=C1OCCC(C1=C2)=O)NC3=C(SC)C=C(C=C3)F,8B37FBA192C37AE0_938011A62A7FDF3C_6041_UN,8.816159,00000000000000000000000000000000000000000010000000000000010100001000000000000000010000011100010001100100010101000100001000000101000011110100000111010111111011111111110,WDYYRPHEUKESHO-UHFFFAOYSA-N
+CCC2(OC1=C(CN)C=C(C=C1)C(F)(F)F)CCCNC2,E454D592E928AEC7_97B163C4D7E647C5_6035_UN,8.816146,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010100011000101101000101110011110101001000011110110100110001111010011110101101111110,NKAQHQNQLSEWST-UHFFFAOYSA-N
+COC1=NC=C(C(=C1)NCC2=CC(=NC=C2)SC(C)(C)C)C#N,A30EBF08C6C69DEB_04EF6DF7F7F512AD_6041_UN,8.815798,00000000000000000000000000000000000000000100000100000000000100001110000000100000111000001000110001101000000000101100010011000111000001010100011111000111010111101111110,DAAVKWRQCCFDDM-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)NCCCCC#N,5D1C6B9B850FB2DC_A5B77EC00BE0B30A_6026_UN,8.815364,00000000000000000000000000000000110000000100000000010001001111001001010001000000011000001011001000001110111000011000011000001100011000001000001001011001010110111111110,GKHCCCMRSVABPA-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NC2=C(SC)C=C(C=C2)F,196E5572B0622E68_6193B272472FB0C6_6041_UN,8.815269,00000000000000000000000010000000000000000010000001000000100100011000001100000000010000011000011101000010000100000100000100101111001001110000001111101111100011111111110,BPXGSVIAMAKRKR-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)NCC2)CCCNC3=C(N)C=CC=C3,63F7B206C4597DB5_11D40BCC34272227_6031_UN,8.8152685,00000000000000000000000000000000000000000000000000000010000000000000000000000001001110000011000011001100110001010000001001010110000111010110001011010011011111110111110,YPUORBQFGOHEAA-UHFFFAOYSA-N
+OC(=O)C1=C(C=NC(=C1)[N](=O)=O)NC3=CC2=C(C=C[N]2C)C=C3,6BCD0C0D56118874_D1DD1CED75E0F20D_6041_UN,8.815185,00000000000000000000000010000000000000100000000001000100100000010100001100010101100101000000011111100110010000000000000111111100001101011101101011101011001011111111110,WRFNWQUCPSQYRT-UHFFFAOYSA-N
+CC2=C1C(=CN(C1=CC=C2)CC3NCCN(C)C3)CC#N,364EDF0A480B7B9C_850675241938903F_6034_UN,8.814977,00000000000000000000000000000000000000000100000000000000000000000100000000010001101101100001010010101100110010010001101011100100110000000110001001011101010110101111010,LAHBBDLHXQQHPV-UHFFFAOYSA-N
+CC1=C(C=CC=C1F)N[C@H]2CNCC[C@H]2C3=CC=C(OC)C=C3,36E2692E6C269008_F2CAD7E16757F7AC_6041_DP,8.814756,00000000000000000000000000000000000000000010000000000010000000100000000000000001001000110011010000101000100100010100001001000111110101110110001111010111110011101111110,OGWJOBIEMPNDBP-LPHOPBHVSA-N
+CC1=C(C=CC=C1Br)N[C@H]2CNCC[C@H]2C3=CC=C(OC)C=C3,9E6A962351A19CE7_C0E852CF92C80786_7022_DP,8.814753,00000000000000000000000000000000000000000000001000000010000000100000000000000001001000110011010000101000100100010100001001000111110101110110001111010111110011101111110,KLUDJSRCUUHWIJ-LPHOPBHVSA-N
+CC1=C(C=CC=C1Cl)N[C@H]2CNCC[C@H]2C3=CC=C(OC)C=C3,FBD456A72FD57731_1CEB00D33B8693B4_7022_DP,8.814752,00000000000000000000000000000000000000000000000000000010000000100000000000000001001000110011010000101001100100010100001001000111110101110110001111010111110011101111110,NZCYBYUYKZGAEM-LPHOPBHVSA-N
+CC1=C(N=CC(=C1)[N](=O)=O)NC2=CC(=C(OC)C=C2C)C,3704281EEE36CB34_563B08EA1E26948B_6041_UN,8.814721,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000011001100010000000000100000101101111001001010100011111101111100011111111110,OSAPNZHPWLYTKA-UHFFFAOYSA-N
+FC2=C(C=C1N(C(C=NC1=C2)=O)C[C@@H]3CNCC[C@H]3C4=CC=CC=C4)F,48D20E9FBEEF64A5_07FE59862803C2F9_6034_UN,8.8146515,00000000000000000000000000000000000000000010000000000000000000100100000000010001101001110011100100101100110100110100011011100101110000100110001111011011011110100111110,LHCXBPGIANLRLA-GJZGRUSLSA-N
+N5CCC(OCC3=C1C=CC=CC1=C2C=CC=CC2=N3)C(CC4CC4)C5,8D498B068161A0A6_9A59F3B0A72EB2C7_6039_DP,8.814461,00000000000000000000001000000000000000000000000000000000000000000100000000000000001000100011000101101100110001010000001011000111110010000110001101010011110111100111110,AYSAZEOPDIBNAH-UHFFFAOYSA-N
+NCCCOC1=C(C=CC(=C1)[N](=O)=O)C2=CC(=C(C=C2)Cl)N,02375FA79E34B4FD_5B36116C6A293EA6_6004_UN,8.814444,00000000000000000000000010000000000000000000000001000000100000110000001100000000001010010010001001001011100101010100001100101111001111110010001111111011110111110111110,NTHGCNAXEOVGTP-UHFFFAOYSA-N
+CCOC1=CC(=C(C=C1)Br)[S](=O)(=O)NC2=CC=CC3=C2CNC3,21CC76FD481957E6_69EFA414D10489FD_6026_DP,8.814431,00000000000000000000000000000000110000000000001000010101001111001001010001000000111100111011001010001110011101001110010001001111011101111110001111101011110111111111110,BPSWUAOBTDDFEN-UHFFFAOYSA-N
+N(CCN2CC1CC1C2)C(=O)CC3=C[NH]C4=C3C=C(C=C4)F,89F191B86C768F8C_EC7E0F69557C33D1_6038_UN,8.814121,00000000000000000000001000000000000000000010000000000000000000000100000000010001001101110011100010101100110100110000011011100100110110100110001001011001011110100111110,HOGLQEKTDAJEKJ-UHFFFAOYSA-N
+C[C@@H]1CNCC[C@H]1OC2=CC=C(C(N)=O)C=C2C(F)(F)F,951CFA8A9B55E36F_B04D2094B3BDB482_6003_DP,8.813874,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010100001100001101000101110111101111001000011110110100110001111010011111011111111110,IZFHZPOXIWIWHU-LDYMZIIASA-N
+CC1=C(N=C(N1C[C@H]2CCCNC2)C3CCCN3)C4=CC=CC=C4,51604AC74BB2B780_DCC539AD0089C1A2_6034_UN,8.813696,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101100011000010101000100000010000101011100100110100000110001011011011010110101111010,TWTNRIOEKVFGHV-ATNAJCNCSA-N
+FC2=C(C=C1C(=CN(C1=C2)C[C@H]3NC[C@H](C)CC3)CC#N)F,765E1062284E1289_7E36D9D6A52999AC_6034_UN,8.813514,00000000000000000000000000000000000000000110000000000000000000000100000000010001001101010011000010101100110100010001101011100100110000100110001011011011010110101111010,GNTFQRYXQWAPFK-YPMHNXCESA-N
+CC1=CC=C2C(=C1[N](=O)=O)[NH]C(=N2)C4=C3NCCC3=CC=C4,FD270A3FF18E4423_840EDD2592A91A38_7005_UN,8.813391,00000000000000000000000010000000000000100000000001000100100000110100001100000101101100000011001011001110110000010000001111101100001101010100001011011011010010111111110,XOJXUOWRCHEVTD-UHFFFAOYSA-N
+O([C@@H]1CCN[C@@H]1C2=CC(=CC=C2)F)C3=C(N)C=C(C=C3)OC(F)(F)F,E024EBE407121522_212D668F6B73721D_6035_UN,8.812969,00000000000000000000000000000000000000000010000000000000000000100000000000000000001110010011000111001000101100011100001001000111000111110100001111010011110011110111110,VFLMPJMYIGFLIP-HZPDHXFCSA-N
+O=[N](=O)C1=CC2=C(C=C1)C(=N[NH]2)NC4=CC3=C(N(C)CCO3)C=C4,ABAF1F6FCB81B868_261E3C71E9CF41F2_6041_UN,8.812679,00000000000000000000000010000000000000100000000001001110110000010100011100010101100101100000011111101110010001010101101111101100001111010110001011111001110011111111110,WPNQFVPQWPFMKV-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NC4=CC3=C(NCC3)C=C4,F2C159D0AE8A5E18_E114C0FA67BBCC9F_6041_DP,8.812141,00000000000000000000000000000000000000000100000000000000010000000000000000010001101101100011000110101100110001010000001011100100110111010110001011011011010011100111110,UNVHCIWDMHLFPH-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C=NC=C2F)C(C4=CC3=C(NCCO3)C=C4)=O,37E3AA52C0110316_CAB445667F0B1D23_6038_DP,8.811593,00000000000000000000000000000000000000000010000000000000010000000100000000000000001000010001100100101100110101110100011011000100000111110110001011010001111011110111110,KSHMFZURBMVELD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)CC2)NC3=CC=C(CC[S](C)(=O)=O)C=C3,CC387F1474BC061E_E4362F619D1598D9_6041_UN,8.811372,00000000000000000000000000000000000000000000000000010001001011000001000001000000000000101001010010000110010000001001101000001101001011011000000111111001111110111111110,XNMPBLWMCHOZTM-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=CN=C3)C4=C(C5=C(C=C4)OCO5)F,37009A823BA300A4_A42C1414AC6DF3F1_6006_DP,8.811314,00000000000000000000000000001000000000100010000000000000010000100100000010010101101101110011000010101100110101010100001011110100110001110110001011011011110011110111110,BUZRHOBFWAFDJZ-NEPJUHHUSA-N
+N(CC1=CC2=C(C=C1)COCC2)[S](C4=CC3=NC(=C[N]3C=C4)C#N)(=O)=O,52282D0E3E3C6A9B_03302CFC60351DAB_6029_UN,8.81116,00000000000000000000000000000000110000100100000000010001011111001101010001000101111101101000001010101110011001001000011011101100111010001110001011111001010111110111110,PBCVKCGONJKNRS-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)[S](=O)(=O)NC5=C(C=C(OC4=CC=CC(=C4)OC)C=C5)C,C6925F1D6665E530_65C8B0E486AB447A_6026_UN,8.810852,00000000000000000000000000000000110000000000000000010001001111001001010001010000010101001100111010000110011000101100010001101111001001011100111111101111101011111111110,QOVSPMAATQTUCU-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CC2)C#N)NC3=C(SC)C=CC=C3C,F3E437671E61122D_720C21611B7392E6_6041_UN,8.810812,00000000000000000000001000000000000000000100000000000000000100101010000000000000010000001001010000000000000000001000000000000100000001010000001011010111000010101111010,RZGQSQDGAHSTOX-UHFFFAOYSA-N
+O(C1(CNC1)CC=C)C3=C2C=CC=CC2=C(N)C=C3Cl,618EB38009C52BDB_CC4C947527BDAAFC_6035_UN,8.810295,00000000100100000000000000000000001000000000000000000000000000000010000000000000001010110010000100011101010100001100000001000111100111110110001111000011110111100111110,QUFXIHKXJPOLJN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCOC2=O)NC3=CC=C(SCCCOC)C=C3,EA577AECF356653A_B7411F711D13BD1B_6041_UN,8.810249,00000000000000000000000000000000000000000000000000000000010100001000000000000000010000101000010000100100010011000001101000010111000011010110000111110001011111111111110,CYMJGFPUERJJFB-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1C=CC2=C([N](N=C2C)C3=NC=CC=C3)Cl)C4,AAB6D78BB354138C_47FB014CE87E7CE4_7019_DP,8.809838,00000000000000000000000000000000000000100000000000001000000000100100000000010101101100110001001010111101110100010000001011101100110001110110001011011011010010101111010,IPEYODSKZUARMP-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2Br)N4CCOC(C3=CC=C(C#N)C=C3)C4,3B05FDED5C16B811_3643BEAA17A9D838_6026_UN,8.809822,00000000000000000000000000000000110000000100001000010001011111101101000001010000110100111000001111101110011101011000011011101100111010101110001001111001110011110111110,PNPRSQMNZMQTII-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C=C(OC)C=C3)S,17C5DF9192ED27E6_4C18F89D492C080E_6041_UN,8.809746,00000000000000000000000010000000000000000000000001000010100100111000001100010001110101001000111011001010000000110100011101101111011111011100101111111011111011111111110,WIJMYIGDEUDYIZ-UHFFFAOYSA-N
+N1C[C@H](C[C@H]1C(=O)OCC2(C)CNC3=C2C=CC=C3)OC(F)(F)F,FB2D325BD4926EC3_661093A29F578123_6031_DP,8.809724,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100000011000111001100111101011001000011010011110110110110001110100001111111111111110,YUTKSOWNCBDBMK-DLTVRGQDSA-N
+C1(=CC2=C(C=C1)SC=C2)NCCCCN3C(OCC3)=O,F7F04E1AD421EDD4_D2AB4E4C7F5A1249_6041_UN,8.80972,00000000000000000000000100000000000010000000000000000000010000000000000000010000011101101011000110001100111001110000011011110101110011010110001100011011011111110111110,RQRPKXRPPZOJEQ-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1F)Cl)(C2)C3=C(C=CC=C3)F,D6C2FDF112387646_A97B63B97C34F16B_6035_DP,8.809574,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,HJJWBMIKNICGSY-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1Br)Br)(C2)C3=C(C=CC=C3)F,381CE0E98E693BA7_48478245F90936B5_6035_DP,8.809574,00000000100100000000000000000000000000000010001000000000000000100010000000000000001010110010000100001000000100001100000001000111000111110110001111000011110011100111110,LLBCUHWDUWHCGK-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1Cl)Cl)(C2)C3=C(C=CC=C3)F,72EFD2E46E2A6C88_8440C6185D919E10_6035_DP,8.809573,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,HEXRAQLMDJMECX-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1Cl)Br)(C2)C3=C(C=CC=C3)F,7265ABDB39583EC5_598BAA1D13E1194C_6035_DP,8.809572,00000000100100000000000000000000000000000010001000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,KLIAGWRIKMEYDG-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1Br)Cl)(C2)C3=C(C=CC=C3)F,9916D19857BE8264_2895C065B03B163B_6035_DP,8.80957,00000000100100000000000000000000000000000010001000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,VOLAZVSKWKFTQC-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1Cl)F)(C2)C3=C(C=CC=C3)F,05F8C7C4397574D0_4E46F7E46C5A9760_6035_DP,8.809567,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001001000100001100000001000111000111110110001111000011110011100111110,HTBNYEQKUJAADD-UHFFFAOYSA-N
+N2CC(OC1=C(N)C=C(C=C1F)F)(C2)C3=C(C=CC=C3)F,29E69CCCBB86DA8E_096FE5AB249B6EF0_6035_DP,8.809567,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001000000100001100000001000111000111110110001111000011110011100111110,VCFXXKWARNFWIQ-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)NCC3=C(OC)C=CC=C3C,758BD451F3627378_30077D429AD93420_6026_UN,8.809539,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100001000011011001110011010001100110001001111001100001100001111101111110111111111110,RTWFAQGKEGFASG-UHFFFAOYSA-N
+N4CCOC1=C(C=CC(=C1)OC(=O)C2=CC3=C(C=C2)C(=O)NN=C3)C4,5C1B75A9FD828949_9B744BF6F8F8037D_6038_DP,8.809281,00000000000000000001000000000000000000000000000000001000010000000100010000000000001000100100101101101100110001110100011011011111110110001110101111110001111011110111110,HHJSBRAJJZEUCR-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)CC3=NC(=CC=C3)C#N,C8D5A0BA7A03F695_65B08DC8F468DF7F_6039_UN,8.80914,00000000000000000000000010000000000000000100000001000000100000010100001100000001100100000100001110100110010001010100000111101111001001010100001111101011110111110111110,NRNXGWKBUHSYBL-UHFFFAOYSA-N
+FC2=C1C=NC=CC1=CC(=C2)NC[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,1A4B141EEE98ED34_E8FE5DE559BB4F61_6041_DP,8.808659,00000000000000000000000000000000000000000010000000000100000000100100000000000000101000110011000000101100110100010000001011000100110101110110001001010011010110100111010,KBCOQKCYPLPXJZ-QFBILLFUSA-N
+[S](=O)(=O)(C2=C1OCCC1=CC(=C2)Br)NC4(C3=C(OC)C=CC=C3)CCC4,814450E815D8B598_1DD4736F0BFB1E9C_6026_UN,8.807892,00000000000100000000000000000000110000000000001000010001011111101011010001000000010100011111011011000110111101011100011000001111001011101100100111111011110011111111110,OAWOSPBQDVKUJF-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC3=CC2=C(C=CC(=N2)OC)C=C3,27100A7B6954BBBA_CD5F476ED8A25F7E_6041_UN,8.807561,00000000000000000000000010000000000000100000000001000000100000010100001100000101100000000000111101100110010000100100010111101111001001010100101111101111100011111111110,VXVZMKKDWMANHB-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(N(C)C)C=C2)F)C,6144F401149F67C9_D34C62868AFED569_6026_UN,8.807135,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,YAFRKGRLFZZJHZ-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(N(C)C)C=C2)Cl)C,04AD9EE4DB96BE57_917AE233A524DE80_6026_UN,8.807116,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111000011000000011001100001100010000101111001001111000011111101111100011111111110,CQYDWTDLULGKGX-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(=O)C3=CC4=C(C=C3)[NH]C=C4,EC37B32DEE37B7D7_9A40876DBCD07107_6038_UN,8.80677,00000000000000000000000000000000000000000010000000000000010000000100000000000000000100010010100011100100110101110100011011000100000111100100001011010001111011110111110,XZXAASXYAQSZQB-MRXNPFEDSA-N
+COC1=CC2=C(C=C1)N(C(=C2)N)CC3(CCNC3)C4=CC(=CC=C4)F,B7E424E3B8712A66_6B67568F9E4A9A95_6034_UN,8.806445,00000000000000000000000000000000000000100010000000000000000000100110000000010100101111110011010010001100110100011100001011100111110101110110001111011011110111101111110,WKAKYEWBMCUUCB-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC3CC4(NC3)CCOCC4,C2C8CD5CDDC0C6FE_A9334A91802018D9_6041_DP,8.806332,00000000000000000000000000000000000000000010000000000110010000000110000000000001101100110011000011101100110101011000001011000100110111110110001001010001010011100111110,HRVMXCCOMWLNQO-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[N](C=C2CC#N)CC3(NCCNC3)C,323468B8C2A4AACE_4C80086893535287_6034_DP,8.806045,00000000000000000000000000000000000000000100000000000010000000000110000000010001101101100011010010101100110010011101101011100111110100000110001101011101110111101111110,GMVPQXRLADXZBK-UHFFFAOYSA-N
+O(C(C=C)(C1=CC=CC=C1)C(F)(F)F)CC3CCC2(CNC2)O3,0BF85B9A0AD9900E_DD8E6F82B8C59A2D_6039_DP,8.805898,00000000100100000000000000000000001000000010000000000000010000000010000010000000001100100011000110011000011101001000001011000010110010100110000000010001110101110111110,HWRVQGKDGBFADH-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)C3=C([NH]2)CCNC3)CC4=CC=C(C=C4)[N](=O)=O,75CD76E2C9832F32_D583934C0E697E34_6031_UN,8.805438,00000000000000000000000010000000000000000000000001000100100000010100001100000000101100100011001011101110110001010000001111111110111101011110101011111001011111110111110,OWCIEUGKSAPNGO-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CN(C1=CC=C2)CCC3=CC(=CC(=C3)OC)Cl,63652A707A3970B9_B5BBAB7B1A98BAA1_6034_UN,8.805423,00000000000000000000000010000000000000000000000001000000100000010100001100010000100101010000011010001111010100010100001101101111001001110100001101111000110111111111110,JRENWZASZUVCKJ-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)C#N)NC2=C(C=CC(=C2C)[N](=O)=O)F)C,B8A8417D4A07D970_28C678B81FC18965_6041_UN,8.805144,00000000000000000000000010000000000000000110000001000000100000010000001100000000100000010000001000000010000100000000000100101100001001110000011011001111000010111111110,HNVRVJUYGQJNEW-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=[N](C=C1)=O)NC3=CN=C(N2CCN(C)CC2)C=C3,E36583306D8B483C_2371271C6125E772_6041_UN,8.805083,00000000000001000000000010000000000000100000000001000000100000110100001100010101100001100000011001101010000000010101101111101101111001010110001111111011010010111111110,QHTPPJNMKBHERJ-UHFFFAOYSA-N
+N2CCOCC(COCC1=C(C)C=C(C=C1C)C#N)C2,2A4E69342AD01E46_080EF57BF043F7C4_6039_DP,8.804493,00000000000000000001000000000000000000000100000000000000010000000000000000000000001000100111000101001000100001010000101011000010110010000110001010010111010101111111110,CJKHIWSRLTVYKR-UHFFFAOYSA-N
+CC(COCC1=CC=CC(=C1C#N)F)N2CCNCC2,BDB93999FF0776B0_5E564769805DA977_6039_DP,8.804469,00000000000000000000000000000000000000000110000000000000000000000000000000010001001001110001000100101000100111010001101011100010110000100110001011011011010111101111110,UWBPSPQUACMXAR-UHFFFAOYSA-N
+CCC1=CC(=C(C(=C1)F)[N](=O)=O)NC2=CC3=C(C=C2)SN=C3,AF12E86B35FE67C1_BEFDE8D1A02E3FCE_6041_UN,8.804288,00000000000000000000000010000000110010000010000001000000100000010101001100000001010100011001001011000110010100000010000111101100001001110100001011001011000110111111110,VTKJHOFPCSSAFL-UHFFFAOYSA-N
+FC2=C(C=C1C=COC1=C2)NCC4=C(CN3CCN(C)CC3)C=CC=C4,B1FEF959245CDA36_3CB395C7E242E1AC_6041_UN,8.80418,00000000000000000000000000000000000000000010000000000000010000000000000000010001001101110001010010101100010100010001101011100100110001110110001011011011110110101111110,JAOLAWZPGVOMIJ-UHFFFAOYSA-N
+COCCOCC1=CC=C(C=C1)NC2=CN=C([Si](C)(C)C)C=C2,7621BD23645453FB_DC27089EB8CE4B11_6041_UN,8.803952,00000000000000000000100000000010000000000000000000000000000000000100000010100001000000100000010000100000000001001001101001000110010011010110011001011101010111111111110,ZUEVHGSRSHHYRC-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CN=C(C1=CC=C2)NCCCN3C4=C(OCC3=O)C=CC=C4,C19EB721C08902AC_C455FC5A26D95F37_6041_UN,8.803754,00000000000000000000000010000000000000100000000001000000110000010100001110010100101001000010101100101110110001110100011111101101111011011110101111111011111111110111110,DPECIPQNTGNSJR-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)OCC3=C(N(C)C)C=C(C=C3)Br,ECFE405520195AFE_D99531AA646707ED_7022_UN,8.803714,00000000000000000000001000000000000000000100001000000000000000100000000000100000000001110000010001000000000111000100000000100111000001110000001111011110110111101111110,AZECOHUHCYIAJM-UHFFFAOYSA-N
+CC1=C(C3=C([N]1CCSCC2CNC2)C=CC(=C3)C#N)C,07FBBA2B2D1FBE86_F3DED26ECD66D519_6034_DP,8.80369,00000000100100000000000000000000000000000100000000000000000000000100000000010000001101101010000010001100010010010000101011100100110000000110001010011111010110101111010,SBUXYLSTGIUOEO-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1F)NC(C2=N[N](CO)C=C2)=O)C3,21ED2D895FFAE6A0_E1E6F001FE63AC9E_6038_DP,8.803429,00000000000000000000000000001000000000000010000000001000000000000100000000010001101100110001101111101100110101110000011011101100110101110111001011011011011111110111110,XJSAZEMIFDAZRM-UHFFFAOYSA-N
+NC4=NC1=C(C=CC=C1C(=O)OCC2=CC3=C(C=C2)CNCC3)O4,C78B44167419897D_5839BF9E445243C2_6031_DP,8.80286,00000000000000000000000000000000000001000000000000000000010000000100000000000100001110100001000111101100111001110000011011010110110101010110001011110001111111110111110,XTNOTARJHDFFEV-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=C(C=CC(=C3N)N)Br,BDA1240297BAC5C4_C49B4C16096FC741_6035_UN,8.802705,00000000000000000000000000000000000000000000001000000010000000000010000000000001001110110011000111001001100100011100001001000111110111110110001111010011110111100111110,QEPFMXDNZFBVMG-UHFFFAOYSA-N
+NC2=C1C=CC=CC1=CC=C2COCC3=CSC4=NCCN34,127C62DC5DF61382_2ABA4F6B3552860A_6039_DP,8.802327,00000000000000000000000000000000000010000000010100000000000000000000000000001111010111101010000111011100011001010000001111100110110001010110001011011011010111100111110,FKHDKYYBQLWTNB-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)N2CCOCC2)[S](C4=CC3=C(C=C[N]3CC)C=C4)(=O)=O,B151BCB4A198854A_92640917C306774A_6029_UN,8.802227,00000000000000000000000000000000110000000000000000010001011111101101010001010000010101101000001110101110011001011010011011101100111011011110001001111001010111111111110,HYXBBRHDGPHSNH-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=CC=C2OCC3=CC=CC=C3)N4CC(CC#N)CCC4,B0794280E7842F97_C7063D4E6965CCD2_6026_UN,8.802172,00000000000000000000000000000000110000000100000000010001001111001101000001010000110100101001001111101110011001011100011011101111111000001110001101111001110111110111110,ZXGZZERZXMAABJ-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)[N](=O)=O)NCC2=C(OCCC)C=C(C=C2)C,3EAAD681DDE9315E_44A644C3EC21B5D9_6041_UN,8.801319,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000000001001001010000011000111001100101111101011010010011111111111110111111111110,MOTYPROIWCHBFB-UHFFFAOYSA-N
+CC1(C)CCC(C)(C)C2=C1C=CC(=C2)OCC3OCCC34CNC4,B1F5FBC604559CDD_2E767706EA231E82_6039_DP,8.801141,00000000100100000000000000000000000000000000000000000000010000000010000010100000001100100011000011001100010001001101101011000011110010000110010111010101110101111111110,BYHSSWMINODDKH-UHFFFAOYSA-N
+COC2=C1C(=CN(C1=CC=C2)CCNC3=NN=C(C=C3)Cl)CN(C)C,E9E93EEE8DD28CC1_D23DCEB7A1C70EE6_6034_UN,8.801001,00000000000000000000000000000000000000100000000000001000000000000100000000110101101101110000011011101101110100010101001011101111100001110110011101011101110111101111110,HNTHNFLFTJBZMR-UHFFFAOYSA-N
+COCOC1=CC(=CC(=C1)F)NC2=C[N](N=C2C3=C[N](C)N=C3)C,CDED635C9A9A43F0_310DE760A1FF195F_6041_UN,8.79967,00000000000000000000000000001000000000000010000000001000000000100100000000010001100100110000011011000000000101000101000011111111001001110100011110001111110111111111110,ALJJFPUMYINEAC-UHFFFAOYSA-N
+O(C(=O)C1=C(C=CC(=C1)Cl)S)CC2=CC=CC3=C2CNCC3,B346F21FC6F02C0A_878CABB91CD8E23B_6031_DP,8.799518,00000000000000000000000000000000000000000000000000000000000100001000000000000000011000111001000000101101110101010000001001010110110100100110000011010011011101110111110,LLPAUSDMRKWEBK-UHFFFAOYSA-N
+C1(=NC=C(C=C1)CN2CCOCC2)NCC3=CC(=C(SC)C=C3)C#N,B9F17566B7ACCA8F_2C51A4E4ADD53797_6041_UN,8.799081,00000000000000000000000000000000000000100100000000000000010100001100000000010100111001101000010100101000000001010000001011100100110011010110001011011011010111101111110,WZUOHETZZYKKRM-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=CC(=C(C=C1)F)NCC(F)(F)F)[C@@H]3CCN[C@H]23,54B31507CD53A0F7_2FC66D7D69A86914_6035_UN,8.798981,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100010011000011001000111110011100001001000011000101110110001110010111110111101111110,YVRBFJUZXDGKFM-SWHYSGLUSA-N
+NC1=CC2=C(C=C1)SC(=S)N2CC3(CNCC3)C(F)(F)F,8DC460B6BBBDFE82_A013816894D62AEA_6034_UN,8.798369,00000000000000000000000000000000000010000010000100000000000100001110000001010000111111101011000010001100111100011000001011100100110101110110001010011011010110100111010,GXNFQLIPPAKGOI-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=C(C=C(C=C1)CO)F)C(C2=CC=CC(=C2)C#N)CNCC3,24064663B09A5F8D_ED8A357A97699ED4_7017_UN,8.798313,00000000000000000000000000000000110000000110000000010001001111101001000001010001011000111001001000101010101101011000011011101100111100101111001011111011010111110111110,JBBPKOTYDDRMPI-UHFFFAOYSA-N
+COC1=CC3=C(C=C1)CN(C2(CC2)C3)[S](C5=CC4=C(C=C(Cl)C=C4)C=C5)(=O)=O,A3B77DF5967A21C1_E0FDA2076D07C804_6029_UN,8.798098,00000000000000000000001000000000110000000000000000010001001111001011000001010000010000011000011000101111011100011100010001101111111000101100000111111000110011111111110,AWQDARJRRHTQMM-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)N=CC3=C2CCCC3)C(C5=CC4=NC=C(N)[N]4C=C5)=O,A7F9176CA0866E21_7E12A4F927989F6D_6038_UN,8.798082,00000000000000000000000000000000000000100000000000000000000000000100000000000101100111000000000010100100010000000100001011110111110001010100001111011001101011110111110,PUVUBAZUHVXZHY-UHFFFAOYSA-N
+FC(F)(F)C2=C1C=C[N](C1=CC=C2)CC3(CN)COCCN3,41C020F5192F8D6E_DE3821A3EC0F4E2E_6034_DP,8.797827,00000000000000000000000000000000000000000010000000000010010000000110000000010001101111100011000111101100111101011000001011100100110110100110001001011001010111100111110,BKPJGNXJYGBYAY-UHFFFAOYSA-N
+COC1(CN(CCC1)CCC#C)COC3=CC2=C(OCC2(C)C)C=C3,D2AFAB32EE96BB43_D1B8C1CDA01D7237_6035_UN,8.797216,00000000000000000100000000000000000000000000000000000000010000000010000010110000000101100000010111101100010011011101101011100011110010000110010111111100110101111111110,GOCNVEZOMNCCDQ-UHFFFAOYSA-N
+N2CC[C@@H]([C@H](OC1=NC(=CC(=C1)C#N)Cl)C2)C3=CC(=CC=C3)C(F)(F)F,1C9A1C4EA5BC51BB_D977B0FA1C8B54C3_6035_DP,8.796857,00000000000000000000000000000000000000000110000000000000000000100100000000000000001000110001100100101001101100111100011011000111110010100110001101010011110011100111110,KAQPIJODYOVRQL-HUUCEWRRSA-N
+N1CCOC(C1)C(C)(C)OCC2=C(C)C=C(C=C2)C#N,B3F23B86144EE179_FF085E7B5ABBFBBC_6039_DP,8.796661,00000000000000000000000000000000000000000100000000000000010000000010000010100000001000100001000101101000100011011000101011000010110010000110011011010111110101111111110,KYSCJCDKKPMFKZ-UHFFFAOYSA-N
+NCC4(OC1=CC2=C(C=C1)[NH]C=C2CC#N)CC3=C(C=CC=C3)C4,B29EDE7C047AC732_BD66FF6ED1ABFB44_6035_UN,8.796052,00000000000000000000000000000000000000000100000000000000000000000110000000000000001110000011000110001100010000011100000001000111010110000100001111000001110111100111110,DSJMKESNYPGKMB-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCC2(CCNC2)C(C)(C)C)F,AC8CAE31D2A0BE07_08660DD687B0F1BF_7022_DP,8.795773,00000000000000000000000000000000000000000010000000000100000000000010000000100000101100110011010010001000100110011100101001000011110101110110011110010111110111101111110,COMBLYOEYGRTQK-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NC4=CC=C(OC3=CC=CC(=C3)C)C=C4,BECE2EBDF7922B65_B6AAA52B1AAB2DA6_6026_UN,8.795539,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011000000110011000001100010000101111001001011000011101101101100011111111110,CITAOCSENFVJPL-UHFFFAOYSA-N
+CC(C)OC1=CC(=CN=C1)N[C@H]2[C@H](CCNC2)C3=CC(=C(C=C3)F)F,8582F6289024E92B_99E7F104E822A432_6041_DP,8.7955265,00000000000000000000000000000000000000000010000000000010000000100100000000100001001000110011000101101000100100010100001011000111110101110110001111010111110011101111110,IDMRNPCSDCWUDS-VQIMIIECSA-N
+CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)NC3=CC4=C(C=C3)SC=C4,EC255448D772A64B_8661FA4872C045B0_6041_UN,8.79532,00000000000000000000000000000000110010000000000000010001001111001001000001010000010100101000001010001110011000011000011011101100011001011110001011011011010010111111110,VSDIONZPRSJLTI-UHFFFAOYSA-N
+O(C(=O)C2=C1C=CC=CC1=CC=C2Br)C[C@H]3CNCC3,331CE62363F1749E_B642A93B25BC7A1E_6031_UN,8.793804,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100110011000011001100110101010000001001010110110000100110000011010011011101110111110,IDISDHWCKMFSNE-LLVKDONJSA-N
+O(C1C(CCNC1)(F)F)C3=CC2=C(N)C=CC(=C2C=C3)C#N,AD3C9A047594AC62_50700F96E24FAFD5_6035_UN,8.793518,00000000000000000000000000000000000000000110000000000000000000000000000000000000001010110001000100101100110100011100001001000111110111110110001101010011110011100111110,GIXSQYPZWWDBER-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCCC2)NC3=C(C=C(C=C3F)SC#N)F,3DAC611AFDA143DF_A939B2340170D7A0_6041_UN,8.793391,00000000000000000000000000000000000000000110000100000000010100001100000000000001010000011001100000100100010101100100011011000100100011110100001011010011010011100111110,KCMAUPKWEIZUGW-UHFFFAOYSA-N
+O=[N](=O)C2=C(C=C1OCCOC1=C2)NC4C3=C(C=N[N]3CCOC)CCC4,7310A75002A7A923_33FBAF2B623B1702_6041_UN,8.793325,00000000000000000000000010000000000000000000000001001000110000010100001110010001100100100011011111101110110001010101101111101110101011010110101011111011110111111111110,QRECQALBFOFWHD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC3C(C)(C3)C4=C(C=CC(=C4)F)F,327F63B00D6BAEFB_DF618DA2A0DD3DFA_6041_UN,8.79321,00000000000000000000001000000000000000000110000000000000000000100110000000000001000100010010000010000100110100011001100001000100000101110100001011000011000010101111010,IWIDMGDABCOENG-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NCC3=C(C=CC(=C3)OC)Br,43E246AF6155A98D_60EB9FF3018DAC69_6026_UN,8.793176,00000000000000000000000000000000110000000000001000010001001111001101010001010000011101011000011010001110011100001100010001101111001000101100001111101111110111111111110,IEKAEFOVVCAVSZ-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NCC3=C(C=CC(=C3)OC)F,DC9FBCB6EF27131C_FB2DF81600E3F060_6026_UN,8.79317,00000000000000000000000000000000110000000010000000010001001111001101010001010000011101011000011010001110011100001100010001101111001000101100001111101111110111111111110,GCWHMELVCDOFJJ-UHFFFAOYSA-N
+ClC1=C(C=C(S1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C)Br,2DE691ACF1F56500_23755CB0AAC90316_6026_UN,8.7928295,00000000000000000000000000000000110010000000001000010001001111001001010001100000010101111000011010000011001100001000010000101100001001111100011010001111000010111111110,VAMGBEUQDRZMQK-UHFFFAOYSA-N
+FC1=CC3=C(C=C1)N(C2=C(CNCC2)C3=O)CC4(NCCCC4)CC=C,0F5E52F49EC899BC_7371557B9348A60C_6034_UN,8.792629,00000000000000000000000000000000001000000010000000000000000000000110000000010001101001110011000001111100110100011100001011100101110100100110001111011001111110100111110,DVEFNCZRGFECOO-UHFFFAOYSA-N
+COC2=C1C=CN=CC1=C(C=C2)NCC(C)(C)C3=CC4=C(C=C3)OCCO4,0DD4BB5C96ECB001_947492B56238BA6F_6041_UN,8.792531,00000000000000000000000000000000000000000000000000000000010000000110000010100000101000000000010000101100010001001101001011000111000011010110011111110101110111111111110,LKQWELYRTDGBDV-UHFFFAOYSA-N
+CC(C)(OC2=C1C=CC=CC1=C(N)C=C2Cl)C3CCNC3,3037CB0EDDE84F2F_74510BBFE51AC4E0_6035_UN,8.792383,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110110011000011001101110110011100101001000111010101110110001111010111110011101111110,SWZQVYGUKQKGIC-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)NC3C2CCNC2C3(C)C)C#N,C07153F7416D151D_2E6F65B244A7D6DD_6041_DP,8.792232,00000000000100000001000000000000000000000100000000000100000100001010000000100000111100001011010010001000110010011000001001000000000101010100011010010111010010101111010,SCTFXASTHQRKOF-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=CC=CC1=C(C=C2)N[C@H]3C4=C(OCC3)C(=CC=C4)F,26F1C1B2378AF824_88CCDE4AA57890E1_6041_UN,8.791466,00000000000000000000000010000000000000000010000001000000110000010100001100000001100000010010001001100110110101010100001111101100001011110100001011111001110011110111110,DKMWNNBKZJTDCV-OAHLLOKOSA-N
+N#CC1=CC=C(S1)C2=CC3=C(C=C2)OCCN3[S](C4=CC=C(CCOC)C=C4)(=O)=O,E5264F8B459E24AB_C9185501515B2713_6029_UN,8.791199,00000000000000000000000000000000110010000100000000010001011111101001000001010000010100101000011110101110011001011101111011101110001010011110101011111000110111111111110,JUUPEDPBAGGCNQ-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NCC2=CC(=NC=C2)N3CCOCC3,DB87AFF7A6EF3118_0FDC4766F912AD09_6041_UN,8.790358,00000000000000000000000010000000000000100010000001000000110000110100001100010100101001110010001100101010000101010010001111101100111011110110001011111011010111111111110,TUFZOXSVJOOFNE-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)C[C@@H]3[C@H](C)CCCN3)CC#N)F,87669F2F0C93A0CE_DEA1BF8542714F85_6034_UN,8.790046,00000000000000000000000000000000000000000110000000000000000000000100000000010001001101010011000010101100110110010001101011100100110000100110001011011011010110101111010,AMXARFCJDYYUNX-BDJLRTHQSA-N
+C1(=CC=C(C=C1)OC=C)NCC2=CSC(=N2)C(OC)C,C28E8D2C124BE70C_2959BD8C1D8D8EAB_6041_UN,8.78972,00000000000000000000000000000000001010000000000100000000000000000100000000000001011100001000010110011000000000010100000011000111000001010100001100000101110111111111110,JMMRVUBZPZSPLK-UHFFFAOYSA-N
+CCC(C)(OC1=CC=CC(=C1)[N+]#[C-])C2=CC3=C(C=C2)CCCC3,7B18F9ED750122CC_CCCD7928BC837F88_6003_UN,8.789453,00000000000000000000000000000000000000000100000001000000000000000010000000000000000000000000000001000100010000001111001000000111110011010000000111010100100111101111110,CZVBPARACXRDEW-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=C(CNC)C=C2)OC,BC83F6D03C563186_B9678C46EB362943_6035_UN,8.788672,00000000000000000000000010000000000000000000000001000010100000010000001110000001101010100001011100001010100001010101001100101111001111010010101111111111110111111111110,GHZCOGMIIGFJOV-UHFFFAOYSA-N
+N4C[C@@H]3CN(CC1=NN=C(C=C1)NC2=CC(=C(N(C)C)C(=C2)F)F)C[C@@H]3C4,0B0B91E207B86608_17B88F38F4065B46_6041_DP,8.788546,00000000000000000000000000000000000000100010000000001000000000000100000000110101101101110011011010101100010100010000000011101100110101110110001011001111010110101111010,SVCPXVMIDFOKHC-BETUJISGSA-N
+CC1=CC(=C(C=C1)[S](=O)(=O)NCC2=CC(=CS2)COC)C#N,090495F380DFC015_9B3F38055E2CF152_6026_UN,8.788522,00000000000000000000000000000000110010000100000000010001001111001001010001000000011100101000011010001010001001001001010000001110101000001110001010101111010111111111110,DUUJUDMXKIDNSY-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)CCNC3=CC=NC=C3)C4=CCNCC4)F,F8F5898F80BFDDE6_B9A35D06467F95C3_6034_UN,8.788485,00000000000000000000000000000000000000000010000000100000000000100100000000011001101101110001000010111100110100010000001011100100110101110110001011011011010110100111010,HGFMMERCQHSYKA-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NC[C@@H]2OCCN(C)[C@H]2C3=C[N](N=C3)C,0F0BB28C7642F97C_5AD1563A8763D992_6041_UN,8.788378,00000000000000000000000000001000000000100000000000001000010000100100000000010100101101100001011110101000000011010101101011111111110011010110011101111111110111111111110,HZVCSOKZLRTOMZ-RDJZCZTQSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3=CC=C(CO[Si](C)(C)C)C=C3,9C6C4FAC7FD82D92_A82F415791E580F6_6041_UN,8.788216,00000000000000000000100000000010000000000100000000001000000000000100010000100001100100100000011010000110010001001000100011001110001101010100011001001101010111101111110,VJKCDPVZUNIVAD-UHFFFAOYSA-N
+N4CCC1(CC1(COC2=CC(=CC(=C2)F)C3CCCNC3)C#N)CC4,F728B31690DD5E81_8ED558285F5F765E_6035_DP,8.788012,00000000000000000000001000000000000000000110000000000000000000100010000000000000001000110011000001101000110101011100001011000011110100100110001101010001110101100111110,KMFYGHJZZSXJFL-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NC2=C(C=C(C)C=C2)[N](=O)=O,980871A4A3631EF2_075D30C3B3825031_6041_UN,8.787768,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000001001100010000000000000000101101100001001011100101011101111000010111111110,HXOONMVSHVZBTH-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C3=CC2=C(C=CC=C2)N3CC4CNCCC4C,070B7B545D16F39B_969ECE7FDF40469F_6034_UN,8.787755,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011000010101100110100010001101011100100110000100110001011011011010110101111010,MYJCDLSXDFSPEV-UHFFFAOYSA-N
+N3CCC(N)C(COC1=C(C=NC2=C1C=C(C)C=C2)C#N)C3,05E1B8E88BE37A38_D62D82FD7475DE91_6035_DP,8.787547,00000000000000000000000000000000000000000100000000000100000000000100000000000000101010100011000001101100110001010100001011000111110101000110001111010011110111101111110,GOYRIJLLWLVKSO-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2CCC2)NC3=CC(=CC(=C3)F)N4CCOCC4,5A7CCF2B3ED73A31_453F3ED7F9FC2CC1_7022_UN,8.787144,00000000000100000000000000000000000000000010000000000000010000100000000000010000100001110000000100101000000101010000001011100100110011110110001001011001010011100111110,FMGXYDOYSJVTDS-UHFFFAOYSA-N
+CC1=C(C4=C(N1C[C@H]2NCC3(C2)CC3)C=CC=C4)C5CCNCC5,64B20C714E61B558_80FD8F447E607756_6034_UN,8.786602,00000000000000000000001000000000000000000000000000000000000000100110000000010001001101100011000010101100110010011000101011100100110100000110001011011011010110101111010,VHPLDAVKMXIBIX-KRWDZBQOSA-N
+N1C4=C(C2(C1)CCN(CC2)[S](C3=C(F)C=CC(=C3)CC#N)(=O)=O)C=CC=C4,5482DD0E2D582262_B209F443E02694CA_6029_DP,8.785809,00000000000000000000000000000000110000000110000000010001001111001011000001010000011100111011001010101110011100011000011011101100111000111110001011011011010110110111110,XANJATUIDOEPMU-UHFFFAOYSA-N
+N3C[C@@H](OC(=O)C[N]1C=CC2=C1C=CC=C2)[C@H](CC#N)C3,4F7E17C0CA3AB5CF_EAC01EC39DDE168D_6038_DP,8.785776,00000000000000000000000000000000000000000100000000000000000000000100000000010000001101100011000111001100010000010000000011110111110010000110001100001011111111110111110,RTUNKKNFHZUKQG-UKRRQHHQSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)NC4=CC3=C(OCCNC3)C(=C4)Br,4DBC6BE984A87CB7_BD25E5312C490768_6026_DP,8.785761,00000000000000000001000000000000110000000000001000010001011111001001010001000000011000111001011101001110111101011100011011001111111111111110101111111001110011111111110,OWKPAABDYJVDEQ-UHFFFAOYSA-N
+N2CCC(OC1=C(C=C(C=C1Br)C#N)Br)CC2C3=CC=CC=C3,C9E93F3B736C865E_2F31F390493F4DC6_6035_DP,8.785423,00000000000000000000000000000000000000000100001000000000000000100000000000000000001000010001000001101000100100010100001001000111110010100100001111010011110011100111110,RRCGGWLBAWRRNC-UHFFFAOYSA-N
+N2CCC(OC1=C(C=C(C=C1Cl)C#N)Br)CC2C3=CC=CC=C3,FBEF90B6B556793A_97B91E26D40D6FDF_6035_DP,8.785419,00000000000000000000000000000000000000000100001000000000000000100000000000000000001000010001000001101001100100010100001001000111110010100100001111010011110011100111110,SWXLAOXZUDGZNK-UHFFFAOYSA-N
+N2CCC(OC1=C(C=C(C=C1Cl)C#N)Cl)CC2C3=CC=CC=C3,3F33EDCDF10DDE91_2F5853D4A35DDBAC_6003_DP,8.785415,00000000000000000000000000000000000000000100000000000000000000100000000000000000001000010001000001101001100100010100001001000111110010100100001111010011110011100111110,UMUMAHKXDSZOJH-UHFFFAOYSA-N
+N2CCC(OC1=C(C=C(C=C1F)C#N)Br)CC2C3=CC=CC=C3,EEFB5518B03217F9_D5E20CE06252D57E_6035_DP,8.78541,00000000000000000000000000000000000000000110001000000000000000100000000000000000001000010001000001101000100100010100001001000111110010100100001111010011110011100111110,IBJWOUZILLJAJI-UHFFFAOYSA-N
+CC2=C1N(C(C=CC1=CC=C2Cl)=O)CCN([C@H]3CCN[C@H]3C)C,9BC3565F625C8BAB_B555906D7FD61FD3_6034_UN,8.785255,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101110011110010101101110110110101111011100101110001100110011111011111011110101111110,QNAQVGZNCCIRFM-BBRMVZONSA-N
+N3CC(CN)(CCOC1=CC2=C(C=C1)[N](C(=C2)C)C)C3,B8D05CF3E5B67A46_D39518F4DAA6C13A_6035_DP,8.785131,00000000100100000000000000000000000000000000000000000100000000000110000000010000101111100011010010001100010001001100001011100111110110000110001110011111110111101111110,LQTPREVPCYNERJ-UHFFFAOYSA-N
+NC2=C(C=C1CCNC(C1=C2)=O)C3=CC(=C(CN(C)C)C=C3)F,88C023D743A82538_68A07653ED7E3E66_6004_UN,8.784763,00000000000000000000000000000000000000000010000000000000000000100000000000100000001011110001110000101100110100110001011001100101000101110110001111011111011110101111110,NQHCVRNUPALPGD-UHFFFAOYSA-N
+COC1=C(C=C(C=C1F)Br)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,709656EE241704A8_67861EC04A6D43E6_6026_UN,8.784636,00000000000000000000000000000000110000000010001000010001001111001001010001100000010001111100011001000010001100001100010000101111001001111000011111101111100011111111110,ZKIMPGPMJMTSNQ-UHFFFAOYSA-N
+COC1=C(C=C(C=C1Br)Cl)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,9DFBDD686C1341D9_4FB54A49B8CFFCD0_6026_UN,8.78462,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111100011001000011001100001100010000101111001001111000011111101111100011111111110,NSWMCQWOLQAZID-UHFFFAOYSA-N
+C[C@@H](OCC2CN=C(C1=CC=C(OC)C=C1)S2)C3=CC4=C(C=C3)OCCO4,CB410C0D541199B3_0483A79D0DFFE166_6039_UN,8.784454,00000000000000000000000000000000000010000000000100000000010000100000000010000010010100001000010011101100010001000100101111000111000010000110100111110100110111111111110,FZSZNZRVDXMLMU-IKJXHCRLSA-N
+N2CC(OC1=CC(=C(C(=C1)OC)C#N)F)CC(F)(F)C2,D13B625F073E3F23_26EC17ECEDD33AC7_6003_DP,8.7841625,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110110010101101000000100001100000001000011100010100110001111000011110001111111110,KZOZUSCROGLODI-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCC2=CC=C(C#N)S2,EE9BB839E6AEDC27_5D813B0493DB9B00_6041_UN,8.783442,00000000000000000000000010000000000010000100000001000000100000010000001100000000111100001000011110001010000000000100000100101111001001010100001110101111110111111111110,NIIAQPMBURBVRZ-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C=C)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F,E0F6671A97147A28_F5DA4FFF55F3FB15_6041_UN,8.783411,00000000000000000000000000000000001000100010000000000000000000000100000000010101001101110011010010011000000100010000100011100100110001110110001010001011010110101111010,GFQDHTVKPXPTAU-HOTGVXAUSA-N
+CC1=CC4=C(C(=C1)NCC2=CC(=NC=C2)N3CCN(CC)CC3)N=CC=C4C,B5D50DB485E0BE9C_3821DC45B61ACE46_6041_UN,8.783226,00000000000000000000000000000000000000100000000000000000000000100100000000010101001001100000000000101100010010010010101011100100110001010110011001011101010110101111010,WHDYFKZNXADDOQ-UHFFFAOYSA-N
+FC1=CC(=CN=C1)NC3=C(C=C2CCOC2=C3)[N](=O)=O,1DCF70021006DA2F_723565C652E1C693_6041_UN,8.783149,00000000000000000000000010000000000000000010000001000000110000010100001100000001000100010000001011100110010101000100001111101100001011110100001011111011110011110111110,XEQOGXDNJKRKRU-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2=C(C)C=C(C(=C2)C)F,5A16CF9E406A6279_0E72DE624CA42411_6041_UN,8.782968,00000000000000000000000010000000000000000010000001000000100000010000001100000000000000110010001001000010000101000010100100101110001001110010011011101111010111111111110,SGJHCMQRXYBIGH-UHFFFAOYSA-N
+CC1=C(N=CC(=C1)C#N)NCC2=CC(=C(C=C2)F)COC,8FC8619DA1C9D68A_19FC3A9886B4AD54_6041_UN,8.782607,00000000000000000000000000000000000000100110000000000000000000000100000000000100101000110000010000101000000111000001000001000110100001110110001011000111010111101111110,APDRDCCRFAZCRB-UHFFFAOYSA-N
+N(C1=C2C(=CC=C1)COCC2)[S](C3=CC=C(C=C3)C4(CCC4)C#N)(=O)=O,4E0B88CCCD85D609_E2A06C196F596D66_6029_UN,8.782225,00000000000100000000000000000000110000000100000000010001011111101011010001000000010000101011001000100110011001001000011000001100111011011110001011111001010011110111110,PHBRIGKAHCDKDE-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(N)CC(C4)(F)F,FCEA1F35B0D39031_EF7D6CD8CA11496C_6034_UN,8.7819395,00000000000100000000000000000000000000000010000000000000000000000110000000010001101111110001000010101101110100011000001011100100110101100110001011011001010110100111010,BFULBFSQOJLQSK-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(N)CC(C4)(F)F,D45E60D8AD704ED1_F2DD63BBD0D1B144_6034_UN,8.781939,00000000000100000000000000000000000000000010000000000000000000000110000000010001101111110001000010101100110100011000001011100100110101100110001011011001010110100111010,RHFLVSUEWFQZFX-UHFFFAOYSA-N
+CC(C)(COC1=CC(=CC(=C1)F)C2CCCNC2)CC#C,B60239A44BF5C5F8_A3914AF97969BD2A_6035_UN,8.781928,00000000000000000100000000000000000000000010000000000000000000100010000000100000001000110011000000101000100101011101001001000011110000100110000101010101110101101111110,SEMZQUHLGZWRQZ-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CC4(N)CC(C4)(F)F,6435A18A553FA66F_1C62396C2C4260E2_6034_UN,8.781927,00000000000100000000000000000000000000000010001000000000000000000110000000010001101111110001000010101100110100011000001011100100110101100110001011011001010110100111010,PHUONVFOIZDTAB-UHFFFAOYSA-N
+N2C[C@H](COCC1=CC=CC(=C1C#N)F)OC(C)(C)C2,001F519E4CA1E532_2D6F98973D09A0EB_6039_DP,8.781818,00000000000000000000000000000000000000000110000000000000010000000010000010100000001000110010000101101000000111001001000011000010100010100110001011000111110101111111110,MCHAOYDAYQYQHW-GFCCVEGCSA-N
+C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)N[C@@]34CCCN[C@@H]3C4,2820890802EB0C4B_056CF9ADD7028A39_7022_DP,8.781322,00000000000000000001001000000000000000000010000000001110000000000110000000010001101100010011001010101000110100011000001011101100110101110110001011011011010110100111010,AVQIWYKPCHXJSX-HZPDHXFCSA-N
+C2(=C1OCCCC(C1=CC=C2)=O)NCC3=CC=C(CSC)C=C3,B6E2022975E9C0F7_8CF6119C940ABF6B_6041_UN,8.781156,00000000000000000001000000000000000000000000000000000000010000000000000000000000001000101101010100001100010001000101001000000101000011010110000111010001111111111111110,ZPYYZGYVJLHNNV-UHFFFAOYSA-N
+FC2=C1C=CN=CC1=C(C=C2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,DBA41CA4F8D98FC6_BC819ED7DF4E2781_6041_UN,8.780255,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101100010111010001101011101100110011110110001001011111110111101111110,GDFYJHAJCIFEBU-OALUTQOASA-N
+COCC[N]1C=CC2=C1C=C(C=C2)NC3=CC=C(C=C3)N4C(=O)CCC4=O,4DDF0C79266F0FEA_02D3D0F517D653A0_6041_UN,8.7798605,00000000000000000000000000000000000000000000000000000000000000100100000000010000100101100100110110001100010001110001111011100111000011011110001101111011011111111111110,WFCMJMKVHCRREO-UHFFFAOYSA-N
+CCC1=CC(=C(C=C1)C#N)NC2=C(C)C=CC(=C2)N3CCC[S]3(=O)=O,E7C5E67B1469148D_1CE65E58E35009FF_6041_UN,8.779521,00000000000000000000000000000000110010000100000000010001001011100001000001010000110100001001001010001010001000011010011011101101011011011110001111011111010110111111110,UJTXMKHMXBLRMU-UHFFFAOYSA-N
+COC1=C(C(=CC(=C1)[N](=O)=O)NCCCC2=C(C=C(C)C=C2)C)C(=O)O,54B9906416165984_EA3DDCBF0E80F3C2_6041_UN,8.779295,00000000000000000000000010000000000000000000000001000100100000010000001100000000101000000110011001001010100010010100101100111111001101011001111111111111111111111111110,GBPDYGFGGFMPLB-UHFFFAOYSA-N
+ClC1=NC2=C(C=C1)N(C(=O)C=C2)CC3(CC=C)CC=CC3,C2B1326D78DA8290_7351F64066F47E98_6034_UN,8.779218,00000000000000000000000000000000001000000000000000000000000000000110000000010001000001010000100010111101010100101100010011100101010000100100001111001010011110100111110,DGWIIMFDGLDBLF-UHFFFAOYSA-N
+CCOC(OCC)C=C(C(F)(F)F)C2(C1=C(C(F)(F)F)C=CC=C1)CCNCC2,8AF6C9D9D13F7C36_655ED8BA59747EA5_6009_UN,8.779168,00000000000000000000000000000000000000000010000000100000000000100010000000001000001000100001000000111000101101011010001001010010110000100110000011010111010101111111110,IUPFOVVNLAIJAP-UHFFFAOYSA-N
+N1CCCC1(COC3=CC=C(C(C)(C)C2=CC=C(C=C2)N)C=C3)CCl,94D233951368EDAE_1E50B30907EEB9B1_6035_DP,8.779109,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110000011000110001001100001011100001001000111110101110110001101010101110111101111110,WVFROIVOOIZUKU-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC2=NOC3=C2C=CC(=C3)F,7490983BF1B48D8C_1A2F030BCC1C33C0_7022_UN,8.779077,00000000000000000000000000001000000000000010000000000000010000000110000100100000101100110001011111001110110101011101001011011111000001110110011111110111110111111111110,IXOAYXUYUKWNJQ-UHFFFAOYSA-N
+N2CC(OCC#CC1=CC(=CC(=C1)F)C#N)C(F)(F)C2,941FE2EC79FBF927_E54A48F0C6E4804F_6039_DP,8.778992,00000000000000000100000000000000000000000110000000000000000000000000000000000000001100110001000111001000000101001000000001000011110010100110001100000011110101100111110,JJZIKNUMUFDILL-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)C#N)N[S](C2=CC(=CC(=C2)OC)F)(=O)=O,9BE9BD4B6531F1E6_C233F8B519C9B4A8_6043_UN,8.778805,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011000011000000010001100001100010000001111001001111000001111101111100011111111110,IYWAOAQHKDDUOG-UHFFFAOYSA-N
+O(CCOCCN1CCNCC1)C2=C(CN)C=C(C=C2Cl)Cl,7C3FE6DB302F7265_636AF5BF8D659034_6035_UN,8.778785,00000000000000000000000000000000000000000000000000000000000000000000000010010001001011110001000101101001100101010100001011100011110110100110001111011011110101110111110,VMWCTHKODXHDMP-UHFFFAOYSA-N
+N(C1=C(C=C(C(=C1)O)C#N)F)[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,51EF49761654D079_0AD4C2C8A9E35425_6029_UN,8.778434,00000000000000000000000000000000110000000110000000010101001111001001010001000000010000011000011001000010001100001100010000001111001101111001101111101011100011111111110,DSVQICLITVBDHK-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=CC=C2)NC3=C(OCC)C=CC(=C3)[S](=O)(=O)N(C)C,0DD8CBB46F40ECCD_B5E558877768A4F7_6041_UN,8.777758,00000000000000000000000000000000110000000000000000010001001111001101000001100000110000101001011100100110011001001110010001101111001001011100011111101111110111111111110,SZSGDHADUANEFH-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C#N)N[S](C3=CC(=C(C=C3)CO)N(C)C)(=O)=O,2D1DD7C7FB7C9C8C_ACD9A635A210706F_6029_UN,8.777745,00000000000000000000000000000000110000000100000000010001001111001001010001100000011001101000011001000010001011001100010000101111001101011001111111101111110111111111110,DSLZEYSVBQBBAC-UHFFFAOYSA-N
+CC1=CC(=CC=C1)CCCOCCC2(CCNCC2)C#N,860D275F2DCBF4ED_E8B9CFA6348384F4_6039_DP,8.777639,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100001000000101000100011011000001001000010110010000110001001010001010101101111110,BSPAHXBKNVJBRS-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)CCC2)NC(=O)C3=C[NH]C4=C3C=CC(=C4)[N](=O)=O,8296DE2F88E5D1C9_1D2601783348F179_6038_UN,8.777627,00000000000000000000000010000000000000000000000001000100100000010100001100000000100100000011111111000110010000100100011101101111011101011100101111111011101011111111110,QHTACBVHAKMLRK-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)N2CCOCC2)[S](C3=CC=CC4=C3[N](C)C=C4)(=O)=O,FF9498B029354180_91141A51544674C2_6028_UN,8.777599,00000000000000000000000000000000110000000000000000010001011111101101010001010000110101101000011111101110011001011000011011101100111011011110001001111001010011111111110,BCYIEQKUYLZYQS-UHFFFAOYSA-N
+N2CC(OCC#CC1=CC=C(F)C=C1)(C2)C3=CC(=C(C=C3)F)F,04963D6604DA59EB_5352FAF0276303AD_6039_DP,8.77754,00000000100100000100000000000000000000000010000000000000000000100010000000000000001000110011000100001000000101001000000001000111010010100110000111000011110101100111110,GZMCWSUSTGRKQX-UHFFFAOYSA-N
+NC1=CC(=CC=C1)N2C=CN(C2=O)CC3(CNCC3)F,B8A7C06D52BF530B_4EEEFFAE3F5414DC_6034_UN,8.777341,00000000000000000000000000000000000001000010000000000000000000100110000000010101101111110011000010001000101100111100011011100101110101110110001110011011011110100111110,WESHFBNWSFIDMX-UHFFFAOYSA-N
+C(C2CCC1CC1C2)=CC4=C(OC(F)F)C=C3OCOC3=C4,9671846C7D591183_2D8AA789ECF8FF3A_7019_UN,8.777203,00000000000000000001001000001000000000000010000000000000010000000000000010000000000100000100000010010100011101000100001010010011110000100100000111110010110001010011110,NPUOQSDWBCPMAW-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C=C[NH]2)C(C4=CC3=C(OCC[N+]3(C)C)C=C4)=O,DAE44FAE28B3A4EF_7CB0D6F1CD121908_6038_UN,8.776959,00000000000000000000000000000010000000000000000001000000010000000100000000110000000101100000010111101100010001011101101011110111000010010110001111111101111011111111110,IRHWCJBXBNXIGY-UHFFFAOYSA-N
+N2C[C@@H](OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@H](CC#N)C2,0370D81FFE90FA07_BC77BD8C7CE61FD8_6039_DP,8.776861,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100100011000111001000001101011000000001000011110010100110001100000011110101100111110,VQTVRVMCOOZQMG-ZWNOBZJWSA-N
+CC(C)(C)[C@H]1C[C@H](CNC1)COC2=C(C=C(CN(C)C)C=C2)Cl,3ACA2414B73FE7C2_E2B00ABEC399BC7F_6035_UN,8.7767,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001110010010001101001000101001101100001100011100000100110011111001111110101101111110,MFMKYGRPFGRSMH-CVEARBPZSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NCC3=CN=C(OCCOC)C=C3,587D7683C253B2F4_440AC302525C6030_6041_UN,8.776331,00000000000000000000000000000000000000000100000000000000000000000100000010000000101000100000110000101100010001100101111001000111000011010110001101010001010111111111110,CRNCOXNDYMCPBM-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)SC#N)N[S](C2=CC(=C(OC)C=C2)N(C)C)(=O)=O,53EBB94F5D7C4E99_51EBDC54108B9933_6029_UN,8.776278,00000000000000000000000000000000110000000100000100010001001111001001010001100000010001101000011100000010001000001100010000101111001001011000011111101111100011111111110,GHMCNXPTYCDFPI-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=C(C=C(SCC)C=C2)C,92D46014836D6269_096F2A3719E3D197_6035_UN,8.776272,00000000000000000000000000000000000000000000000000000000000100001010000000100000011001101001010101101000100010011111001001100011110010000110011111011111110101101111110,INWDSMNVMQNLBL-UHFFFAOYSA-N
+O=[N](=O)C2=C1OCCC1=CC(=C2)NCC3=CC=C(SC)S3,00E62821AF1F9A4F_50FD7B2162B0E100_6041_UN,8.776148,00000000000000000000000010000000000010000000000001000000110100011000001100000000111100001101011110001110010001000100001110101100001011010110001010111001110111111111110,YNRYVEGKSWTCDK-UHFFFAOYSA-N
+C#CC2=CC1=C(C=CC=C1)N2C[C@H]3NCC[C@@H](C(C)(C)C)C3,FA6E2747E7892489_457FE80957A5BE17_6034_UN,8.776114,00000000000000000100000000000000000000000000000000000000000000000110000000110001001101000001000010101100110010011000101011100100110000000110011011011111010110101111010,AFAIFVLFJMKDKJ-SJORKVTESA-N
+N(CCC2=C1OCCOC1=CC=C2)C(=O)C4=C(C=C3N=C[NH]C3=C4)F,029942E5FCB4DEB7_A9F3D0D45E4C0CA2_6038_UN,8.775658,00000000000000000000000000000000000000000010000000000000010000000100000010000101001100010000100010101100110101110100011011000100100110100110001011110011111111110111110,UWRJVKAHGFXKQT-UHFFFAOYSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)OC)N,7E265F1EFFD6C8A2_EFF80DC79044D0DE_6035_UN,8.775608,00000000000000000000000000000000000000000000000000000000000000100000000000000000001110110111010011001001000101000100000001000111110101110110001101000011110111111111110,ILPJZOJMCJMZER-UGSOOPFHSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(C=CC(=C2)SC)C,749AC62FD06B3F3E_23DE63EDDAF4E18B_6041_UN,8.775603,00000000000000000000000010000000000000100000000001000000100100011100001100000101010000001000111001100010000000100100010101101111001001010100011111101111000011111111110,QDOQVLBJQDAHGL-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C)F)C#N,9834B47C07967B6B_935DF156EBDD2CD7_6041_UN,8.775602,00000000000000000000000000000000000000000110000000000000000000100000000000010000101101110011010010001000000110010101101001100111110001110110011111011111110111101111110,PJWHUOARIFKEJC-IIBYNOLFSA-N
+CN4CCC1=C(C2=C([NH]1)C=CC(=C2)NC3=CN(C)C(C(=C3)C)=O)C4,62FD04F422F41A66_5B0FA7C44184292F_6041_UN,8.77542,00000000000000000000000000000000000000000000000000000000000000000100000000010001100101100011110010101100110000110101111011100101110101010110011111011111011010101111110,GHGLFUZQZKOXRM-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC3CC4(SCC3)CCC4,B0F2D126EF0F1DD6_D14B195911EFE50F_7022_UN,8.775261,00000000000100000000000000000000000010000000000000000000000000000010000000000000010000011011000000100101110100011000001000000100110001110100000011010011010010100111010,XANWBHHRXMHLFH-UHFFFAOYSA-N
+O=[N](=O)C1=CC4=C(C(=C1)NC2=CC3=C(C=C2)C(N(C)CC3)=O)[NH]N=C4,A853A215D1826458_EDEEAA583792DF4B_6041_UN,8.775059,00000000000000000000000010000000000000000000000001001010100000010100011100010001100101100001111010101110010000110001111111101101001101011100001111111011011010111111110,ZRGAFTZWHRQSRW-UHFFFAOYSA-N
+O(C1CNNC1)C(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=CC=C4,D2E28F15D7990981_D61A473CBB57EE98_6038_UN,8.774969,00000000000000000000000000000000000000000000000000001100000000000000110000000000101100000011001111001100110000010000000011011111010110001110001111100001111001110111110,CJGVSQNYCLNGEF-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OC(C2=CC=C(CN(C)C)O2)=O)CC3,DDDF94B2E9397035_F82C67577245D653_6038_DP,8.77487,00000000000000000001000000000000000000000000000000000000010000000000000010100000001101100000010110001100110000010101001011110111110010000110001110111101111101111111110,FJXIXKXACPZFFQ-UHFFFAOYSA-N
+O(C1=C(C2=C(C=C1)[NH]C=C2)[N](=O)=O)C3=CC4=C(C=C3C#N)[NH]C=N4,A10D01F60161A35C_D6321A53614AA2E7_6003_UN,8.774714,00000000000000000000000010000000000000000100000001000000100000010100001100000101100100000100001111000110010000000100000111101111001101010100001111101011100011110111110,QBGUITUBLBMOPL-UHFFFAOYSA-N
+NN4C=NC1=C(C=C(C=C1)NC3=CC2=C(C=CN(C)C2=O)C=C3)C4=O,8F66FF7C9A7DB806_A94B41F18980FC5C_6041_UN,8.774423,00000000000000000000000000000000000000000000000000001000000000000100010000010101100011000000111101100100010000100100010011101101000101011100001111001011001010111111110,BCEBGVLTIMOJTE-UHFFFAOYSA-N
+CC2=C1N=C(SC1=CC=C2F)NC4=CN=C3C=CC=CC3=C4N5CCN(CC)CC5,90028A20CC19E011_3F4995A79D562443_6041_UN,8.772878,00000000000000000000000000000000000010000010000100000000000000100100000000010101110101111001000010101100011110010010101011100100110001110110001011011111010110101111010,STYBIEFHFHVFGY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)C2(CC2)C#N)N5CCC(C3=C[N](C)C4=C3C=CC=C4)C5,CCE14CAB64C2B79E_506FDB2D8D313B8C_6026_UN,8.772668,00000000000000000000001000000000110000000100000000010001001111101111000001010000010101101000011010001110011000011000011011101100011000001110001001011000010010111111110,JTOOSXONNCUJNW-UHFFFAOYSA-N
+N(C1=C(C=CC2=C1OCO2)F)C(C4=CC3=C(CCNCC3)C=C4)=O,E0D8A404EAD5095F_15E42112C78CE75D_6038_DP,8.772556,00000000000000000001000000001000000000000010000000000000010000000000000010000000001100110001100111001100110101110100011011010100110101110110001011110011111011110111110,JGJVDTSWAHRUOZ-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC4=CC(=C(SC)C=C4)Cl,064235D8FF932F13_B786077F5A2114ED_6034_UN,8.772331,00000000000000000000000000000000000000000000000000000000000100101100000000010000111101111011010010001101110100010000001011100100110000100110001011011011010110101111010,KTUMEWIVCWGOMI-UHFFFAOYSA-N
+C1(=CC=C(C=C1)SC(F)(F)F)OCC2C(CCNC2)(C)C,AE6C15925BE62A27_527603907F495148_7022_DP,8.772208,00000000000000000000000000000000000000000010000000000000000100001010000000100000011000101011000001101000101101011101101001000011110000100110000101010111110101101111110,SUTPXCHRRLBFJW-UHFFFAOYSA-N
+CN1CCNCC1CNC(=O)C2=CC3=C(C=C2)[NH]C=C3,DDF54237447D230C_57369F282012E6CB_6038_DP,8.772197,00000000000000000000000000000000000000000000000000000100000000000100000000010001101101100011110010101100110000110001111011100100110100000110001001011011011110101111110,JALMZMMMCCDLFL-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCCC3=CC=C(OCC)C=C3,1B49DC9DC84DCA58_71F80323AE18B97E_6026_UN,8.772081,00000000000000000000000000000000110000000000000000010001001111001101010001010000011101001000011010001110111001011110011001101111001000001110001101111101110111111111110,LIWULHZBSXORMS-UHFFFAOYSA-N
+O(C(=O)C1=C(C=CC=C1)SC(F)(F)F)CC23C(C2)CNC3,8C9707556B4460EC_CC2B8F01412021A1_6031_UN,8.771895,00000000000000000000001000000000000000000010000000000000000100001010000000000000011100101011000011101000011101001000000001010010110000100110000011000011011101110111110,NNXXUTQVOSRCRP-UHFFFAOYSA-N
+OCC1=CC(=C(C=C1)C2=CC=C(CCN(C)C)C=C2)Cl,39952E30CABCF64F_82C4E1E969B47005_6005_UN,8.771806,00000000000000000000000000000000000000000000000000000000000000100000000000100000001001110000010000001001000101010001101000100100000000100011000011011110010101101111110,WOTSUUYTHGVKCW-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)C2=C(C=C(OC)C=C2)CN(C)C)Cl,87495210E07997C0_2F0AEDAE4152EF7C_6004_UN,8.77168,00000000000000000000000000000000000000000000000000000000000000100100000000100000000001110000010100101001000100000101000001100111000000100100011111001110110111111111110,NKSKFZAHFCHERD-UHFFFAOYSA-N
+O(CCCCCN1CCNCC1)C2=C(C(C)(C)N)C=CC(=C2)Cl,CBFB23C68D136EC3_D2C3A967518A17D3_6035_UN,8.770968,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011110001000001101001100101011100001011100011110110100110001111011111110111101111110,PEAAGDWJJRWHIO-UHFFFAOYSA-N
+OC(=O)C2=C1OCCNCC1=CC(=C2)NC4=CC3=C(OCCNC3)C=C4,B8737A837A03C2BC_9EAA3C07D23193D8_6041_DP,8.7705965,00000000000000000001000000000000000000000000000000000000010000000000000000000000001000100101000101001100110001010100001011010100110111010111101011110001111011110111110,JNFMOFWRMJUBEA-UHFFFAOYSA-N
+C2(=CC(=C1OCCC1=C2)CC#N)NC3=CC(=C(CC)C=C3)[N](=O)=O,75159E2BDCC823F3_0860E39EE4A9C0FB_6041_UN,8.77027,00000000000000000000000010000000000000000100000001000000110000010000001100000000100100000001001010000110010001010110001100101100101011010100001011111011110111111111110,UDZBUCVQHHSBII-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=CN=C(SCC)C=C2,8848F40E6DDD5D6F_9B7DAD3098CF77E9_7022_UN,8.770117,00000000000000000000000010000000000000000000000101000000100100011100001100000001110000001001001100100010000001000110000101101111001001010110001111101111110111111111110,QQAVOFQMMRJZSB-UHFFFAOYSA-N
+COC1=C(N=CC=C1)NC2=CC(=C(C=C2F)[N](=O)=O)C,F29238517E0ABBBE_8999C1BAF99805E5_6041_UN,8.770117,00000000000000000000000010000000000000100010000001000000100000010100001100000100000000010000011100100010000100000100000101101111001001110100001111101111100011111111110,IUVZLPLJMXJQLZ-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=C(CN)C=CC(=C2)Br,ED2F2E59B5A4629D_90D4993BCF5093B0_6035_UN,8.770108,00000000000000000000000000000000000000000010001000000000000000000000000000010000001111110000000111001000001100011100001001100011110010100110001110011011110101100111110,DTXUXTFDZLTOEY-NSHDSACASA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=C(CN)C=CC(=C2)F,2398DFEAE1725FD2_25ADE95DB7A579F7_6035_UN,8.770098,00000000000000000000000000000000000000000010000000000000000000000000000000010000001111110000000111001000001100011100001001100011110010100110001110011011110101100111110,RMJKCXJVWWADPY-NSHDSACASA-N
+C3CC1N(CCC2=C1C(=CC=C2)C3)[S](C4=C(C=C(C)C=C4)C#N)(=O)=O,61F0B33FEC550B25_A582C07F1CC67961_6029_UN,8.769777,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000001000001000101110011000011000011001101100111000001100001011011010010010111111110,YSIJYIFRZOKSSD-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)COCC2=CC=CC3=C2CCNC3,CEE49CD6608F0991_C60045E75FDFFD29_6039_DP,8.769176,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000100101001000101110110001010110001101101111111001010110101111111011110111111111110,GEZNGEBOCICMEP-UHFFFAOYSA-N
+N2CCC(OCC1=CC=C([Si](C)(C)C)C=C1)(C2)C(F)(F)F,483ED00B02E226D6_A695BE02288064D8_6039_DP,8.769064,00000000000000000000100000000010000000000010000000000000000000000010000000100000001100100011010111001000101101011000001001000011110010100110010100011101110101101111110,QLCWAHQDSVHTSU-UHFFFAOYSA-N
+CC1(NCC(C1)(F)F)COC4=CC=C([N]2C3=C(C(=C2C)C)C(N=CN3)=N)C=C4,23B1A0CD37D5B3EA_D84FC9C00D806A88_6035_UN,8.768733,00000000000000000000000000000000000000100010000000000100000000100110000000010110101101010011000110101100110111011101100111100111110101110110011111001111110111101111110,JWJAXFAZFYLMSL-UHFFFAOYSA-N
+ClC1=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3C[C@H]5[C@H]4CNC[C@H]4C5,14C386F731BC958B_002A733DA531B95B_6034_UN,8.767956,00000000000100000001000000000000000000000000000000000000000000000100000000010000001101110011000011101101010100010100001011100101110000100110001111011001111110100111110,CKIYRWHVSLDSSJ-IGCXYCKISA-N
+COC1CC(CNC1)OC2=CC(=C(C=C2)C(F)(F)F)C#N,800BA5BF7AEF86CF_821DF22E7334121C_6035_UN,8.767629,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000100110010100101000001100001100100001000011100010100110001111000011110001111111110,QYGPZVZGOVOSIJ-UHFFFAOYSA-N
+CC4(C)COCC(C)(COC1=CC=CC(=C1)C2=NC3=C([N]2C)C=CC(=C3)F)N4,74A5185B8A556A16_2D0CD23A9A7037CF_6035_UN,8.767199,00000000000000000000000000000000000000100010000000000000010000100110000000110101000101110101010110100100110111011101000011100111100000100110011111001111110111111111110,CNJJBRWZFSYMHH-UHFFFAOYSA-N
+O(C2=C1C=CC(NC1=CC=C2)=O)CC4=C3N=CC=CC3=C([N](=O)=O)C=C4,9B7B05E744C01977_FE7F0EB35731AF2C_6039_UN,8.766957,00000000000000000000000010000000000000000000000001000000100000010100001100000000100000000000101001100110010001100100010111101111001001011100101101101001111111110111110,XXSLBLANFFCZMK-UHFFFAOYSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Br)C3=C(C(=CC=C3)OC(F)(F)F)Br,B07386D41C63FEAC_3C8FB61E44D8D53F_6035_UN,8.766491,00000000000000000000000000000000000000000010001000000000000000100000000000000000001100010111000111001000101100011100001001000111000010100100000111010011110011110111110,YNTIVUPFSWBARE-GDBMZVCRSA-N
+O([C@@H]1CCN[C@@H]1C2=CC=C(C=C2)Cl)C3=C(C(=CC=C3)OC(F)(F)F)Br,6AF2D082E63E2520_D88E4DA211AFA4E4_6035_UN,8.76648,00000000000000000000000000000000000000000010001000000000000000100000000000000000001100010111000111001001101100011100001001000111000010100100000111010011110011110111110,XUMXUBVPJULHJV-GDBMZVCRSA-N
+COC1=C3C(=C(C=C1)NC2=C(OCC)C=CC(=C2)[N](=O)=O)N=C(C=C3)C,9E9EBBD2135C37ED_289A884E376A8AC7_6041_UN,8.766299,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000001011101100110010001000110000101101111001001010100111111101111110111111111110,SVUQEBBXPIWKFP-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=CC(=C(C=C2C#N)F)C)OC,E13F95466347D4B7_F35A1C95F50D453A_6026_UN,8.766218,00000000000000000000000000000000110000000110000000010001001111001001010011000000110000011000011000000010001100001100010000001111001001111000111111101111100011111111110,NZKBBAMAPSJETO-UHFFFAOYSA-N
+COCC1=NC(=CC=C1)C2=CC(=C(OC)C=C2)CN(C)C,EB7734A454ECDE31_CD9B445AADAE922F_6004_UN,8.7661495,00000000000000000000000000000000000000000000000000000000000000100100000000100000000001100000010101101000000011010101000001100111000000000110011111001110110111111111110,LCFCYJHIIPCKCV-UHFFFAOYSA-N
+C[Si](C)(C)CCOC[N]1C=CC2=C1N=CC=C2NCC3=CC=C(SCC)C=C3,7183D9038EC68996_8A835CE6FCD6E97A_6041_UN,8.765498,00000000000000000000100000001010000000100000000000000000000100001100000000110100111101101000010011101100010001101011111011100110010011010110011001011101010111101111110,PCISTHVITHWEGF-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)OCC2)C4=CC=C3C(NC=C([S](Cl)(=O)=O)C3=C4)=O,C07B033C6E15E51D_21EAB99DD54545D1_6003_UN,8.7652025,00000000000000000000000000000001000000000000000000010001011111001101000001000000010100001000100011100111011101101100011011001111001010101100100111111001111011010111110,BUYOKBNIEWAQGP-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2F)Cl)CC3(N)CCCNC3,5298275578EBF50B_3BFFDFBCB4A8384F_6034_DP,8.764895,00000000000000000000000000000000000000000010000000000010000000000110000000010001101111110011000010101101110100011000001011100100110101100110001001011001010110100111010,UFTKLWCKDLSCMS-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2Cl)F)CC3(N)CCCNC3,9B9A0D8942F8104C_C3FF42BED734DD76_6034_DP,8.764887,00000000000000000000000000000000000000000010000000000010000000000110000000010001101111110011000010101101110100011000001011100100110101100110001001011001010110100111010,AYIIRJRFBUWNID-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=C(C=C2Cl)Cl)CC3(N)CCCNC3,3EAE01BC3B015615_B053690306703E3D_6034_DP,8.764884,00000000000000000000000000000000000000000000000000000010000000000110000000010001101111110011000010101101110100011000001011100100110101100110001001011001010110100111010,MJIHHVDLXNIZHG-UHFFFAOYSA-N
+N3CC(OC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)(C3)C#C,81FF0795C38513D9_D3784F05AE519E40_6035_DP,8.764758,00000000100100000100000000000000000000000000000000000000000000000010000000000000001000110010000100001001000100001100000001000111000010100110000111000011110101100111110,MTWCEUYJVHNHDG-UHFFFAOYSA-N
+N4CC1=C(C=C(C=C1)COCC3=CC2=C(N(C)C(=O)O2)C=C3)C4,C833385E15397A41_983C5E563A6A38C3_6039_DP,8.764455,00000000000000000000000100000000000000000000000000000000010000000100000000010000001101100001010110001100011001100100010011110111110000000110001111101011111111111111110,FBDDELOGZCHVFA-UHFFFAOYSA-N
+NCCC(OC2=CC1=C(N)C=CC(=C1C=C2)C#N)C3CCCC3,F21FBB48801E4957_520355D46434343D_6035_UN,8.764128,00000000000000000000000000000000000000000100000000000000000000000000000000000000001010000000000011001100110000010100001000000111110111010000001101010001110111100111110,IBJCIZYFUADBCH-UHFFFAOYSA-N
+C1(=CC(=NC=C1)Cl)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F,4125FF325CA6EB3D_C590B3405EF28C82_7022_UN,8.763931,00000000000000000000000000000000000000100010000000000000000000000100000000010101101101110011010010101001000100010000100011100100110001110110001010001011010110101111010,KOWGPTJUNCXDTH-AAEUAGOBSA-N
+COC1=CC(=C(C=C1)CCCOC2=C(C=C(CCN)C=C2)[N](=O)=O)C,AB57BC8F32B13A9A_0BFC12609F42EFA7_6035_UN,8.763702,00000000000000000000000010000000000000000000000001000000100000010000001100000000001010000100011100001010100011010100101100101111001011010010101111111111110111111111110,DBBIQVFHZFTUHR-UHFFFAOYSA-N
+ClC1=CC4=C(C=C1)[N](CC=CC2=CC(=NO2)C3CCNCC3)C=C4,2EFD132BB97570EE_BCC494DA532AA6BA_7019_DP,8.763516,00000000000000000000000000000000000000000000000000000000010000100100000100010000001101110001001011111111110100010000001011101100110000100110001001011001110110100111110,RPDWEXCHWIPABB-UHFFFAOYSA-N
+CC3=CC1=C(C=C(C=C1C)NCC2N(C)CC(CC2)(C)C)[NH]3,3FC4D3C0BB862159_7BDA7A777F418A49_6041_UN,8.763245,00000000000000000000000000000000000000000000000000000100000000000110000000110001101101100011010010101100010010011001101011100100110101010110011001011111010110101111010,JXNUOPMWDCHRMJ-UHFFFAOYSA-N
+COC1=CC4=C(C(=C1)NC2=CC(=C(OC)C=C2)N3CCC[S]3(=O)=O)C=CC=C4,B4E246BBE38F5598_A3D5C123B5E327E0_6041_UN,8.762786,00000000000000000000000000000000110010000000000000010001001011100001000001010000110100001000011111001110011000011100011011101111011011011110101111111111110011111111110,FNSRFYPIORRCKZ-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(=O)C4=C3C=C[NH]C3=CC=C4,0E4FC0A232945071_D1CFAC80531DF2A4_6038_UN,8.762373,00000000000000000000000000000000000000000010000000000000010000000100000000000000000100010010100011100100110101110100011011000100000111100100001011010001111011110111110,FEGAFSJEAXZWDH-MRXNPFEDSA-N
+CCC1=CC(=C(C(=C1)C)OC(=O)CC2=C[NH]C3=C2C=C(C=C3)[N](=O)=O)C,12D31F083FAAFA29_A038B0E31E62B473_6038_UN,8.7623,00000000000000000000000010000000000000000000000001000000100000010100001100000000000100000011001010000110010010000110000101111111001011011100111111101111101111111111110,FIBRRUINBWMBCO-UHFFFAOYSA-N
+O(CC1(COC1)C#N)C2=CC=C(C=C2)C3NCCNC3,42E6EF23851CD11B_B2072DE207B894DC_6035_UN,8.762287,00000000100100000000000000000000000000000100000000000010010000100010000000000001001000100101000001101000100001011100001011000011110100000110001101010001110111110111110,QLUBVVBKJXODOD-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)NCC3=CC4=C(C=C3)OC(F)(F)O4,63237153C4AEEEFE_4FACBC388E3AD5CE_7022_UN,8.762159,00000000000000000000000000000000000000000010000000000000010000000000000010100000001101110000010010001100011100001100000010110100000001110100001011001101110111111111110,WHKACZLLPYBTSA-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)Cl)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,2F104AFE05542220_56E25F3B882F4C40_6026_UN,8.762132,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111000011000000011001100001100010000101111001001111000011111101111100011111111110,RUPUDSYMNSILHE-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)F)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,A9496D5C9E802BD2_04F8902FABC9B1CB_6026_UN,8.762128,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,GPWKMGJDVXIVPD-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)I)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,981CF5A09DB18296_C61930D6AFFD053C_6026_UN,8.762127,00000000000000000000000000010000110000000000000000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,ADENHMGKTFCGQK-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)Br)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,4284B69E32D2C85F_3A579D1ABF428168_6026_UN,8.762103,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111000011000000010001100001100010000101111001001111000011111101111100011111111110,GOHMVSWPXTVBJM-UHFFFAOYSA-N
+N4C[C@@H]3C[C@@H](CNC(=O)C1=C(C2=C(C=C1)C=CC=C2)F)[C@@H]3C4,BA8E561350B7934A_DB891678A9E60E48_6038_DP,8.761966,00000000000100000001000000000000000000000010000000000000000000000000000000000000001100110011100010001100010100100000010001000100110100100110001011000011011110100111110,RCMPGJCTDRMOOL-HEHGZKQESA-N
+CC2=C1C(=C[N](C1=CC=C2)CCN3CCNCC3)CC#N,1CDCD7B2CD0602C0_268358065EA54C76_6034_DP,8.761693,00000000000000000000000000000000000000000100000000000000000000000100000000010001001101100001000010101100110010010000001011100100110000000110001001011001010110101111010,KCOJCECMLDHVBZ-UHFFFAOYSA-N
+ClC2=C1C=CN(C1=CC=N2)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,043F78EFC4BE57B9_726927D35EDF013D_6034_UN,8.761582,00000000000000000000000010000000000000000000000001000000100000010100001100110000100101110000011010101111010110000000000111101100001001110100001011001110010110111111110,OWFYKFJGQIWURC-UHFFFAOYSA-N
+OC(=O)C2=C1OCCC1=CC(=C2)NCCC3=C(N(C)C)N=CC=C3,DF7DE221B7F8D335_FD99B9479EFAE81B_6041_UN,8.761395,00000000000000000000000000000000000000100000000000000000010000000100000000100100001101100101010010101100110011010100001011110100000111010111001011111111111111111111110,HJQCORCUVZFNJX-UHFFFAOYSA-N
+COC2=C1C(=C[NH]C1=CC=C2)[S](=O)(=O)N4CC3=CC=CC(=C3C4)Br,45155033D285BF94_B764D356AD793AD2_6026_DP,8.761121,00000000000000000000000000000000110000000000001000010001001111001101000001010000110100111000011011001110011100001100010011101111011000101110001111101001110011111111110,VXHWGOGRAYWTNZ-UHFFFAOYSA-N
+O(C(=O)C2=C1C(=C[NH]C1=CC=C2)C#N)CC3N(C)CCNC3,8E57967ED651DEA3_F880703D42DFA618_6031_UN,8.761066,00000000000000000000000000000000000000000100000000000000000000000100000000010001101101100011010111101100110001010001101011110110110100000110001001011011011111111111110,CCBXRAYDSMNDMJ-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)Cl)NC2=CC4=C(C=C2)OC3(CCCCC3)O4,D127906EFA26FBD3_BB35D36534B23D88_7022_UN,8.760849,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100010000000011000101010100001100001010010100110011110100000011010001100011110111110,MYZSXDUMXYYKNZ-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)Cl)NC2=CC4=C(C=C2)OC3(CCCCC3)O4,42BA09137F7CD35E_488CAD3C8E75576D_7022_UN,8.760838,00000000000000000000000000000000000000000010000000000000010000000000000010000000000100010000000011000101010100001100001010010100110011110100000011010001100011110111110,FLTOEHFPPXCLJE-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)F)NC2=CC4=C(C=C2)OC3(CCCCC3)O4,6A82DFE28B4E4EA5_C02D19DB907921EA_7022_UN,8.760829,00000000000000000000000000000000000000000010000000000000010000000000000010000000000100010000000011000100010100001100001010010100110011110100000011010001100011110111110,AKSCBUDCBPSZTJ-UHFFFAOYSA-N
+CC1=CC=C(S1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,E7A3316F90191AD0_21FDE5AB4974EC03_6026_UN,8.760485,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101000011111000010001000001100010000101111001001011100011111101111100011111111110,IEDUONPHGRGFEW-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=C(C=C(C)C=C2Br)CC=C,EF675BC50679D6C6_D3AE098E55F5FFDD_6035_UN,8.760454,00000000000000000000000000000000001000000000001000000000000000000010000000100000001001110001010101111000100110011101001001100011110010100110011111011111110101101111110,UPXYMZBCARXZID-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OCCC2)[S](C4=CC3=C(N=C(CCl)O3)C=C4)(=O)=O,8725C772C216EC93_8CAD34F9EBA2271D_6029_UN,8.7601595,00000000000000000000000000000000110000000000000000010001011111001101010001000000010100001001101110100111011001111100011011001100101011111110101011111001110111110111110,TUBXJWQTMXWVSU-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC3=CC2=C(N(C)CCO2)C=C3,28FBFE04FF21BB09_4314A221D1742273_7022_UN,8.759931,00000000000000000000000010000000000000000000000001000000110000010000001100010000100001110000011101101111010101010101101111101100001011110110001011111011110011111111110,UEHUOWIWDLVSIH-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=C(N=CC=C4)F,B11BB802DACFF24F_DA1DC624E53F59C2_6038_UN,8.759181,00000000000100000000000000000000000000000010000000000000010000000110000000000000100000010000100001110100010100101100011011000100000011110100001011010011101011110111110,WARNRJMQBBUKKE-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N2CCCC2=O)NCC3=CC=C(COCC)C=C3,D4062F83894DBB53_6ED443FC9C46DB6D_6041_UN,8.75853,00000000000000000000000000000000000000000000000000000000000000100000000000010000001101100000100010001000000011110010111001100111010011010110001111011111011111111111110,RZUIDUKZZDRFBK-UHFFFAOYSA-N
+C2CC1=CC=CC3=C1C(C2)CN(C3)[S](C4=CC(=C(C=C4)CC#N)C)(=O)=O,E48F119B5064FEEA_28F99A50FED035E0_6029_UN,8.757606,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000101000001000101110011000011000111001101100111000001110001011011010010110111111110,MLDWSRCVYRTGTD-UHFFFAOYSA-N
+O=C(N1CCNCC1)C3=CC2=C(C=CC=C2)N3C[C@H](CN)F,BA896DBB8C47B20D_6F1E606D6C4DAF4C_6034_UN,8.757371,00000000000000000000000000000000000000000010000000000000000000000100000000010001101111100011100110101100110100110000011011100100110100100110001011011011011110100111110,SEKMVGRBOSGDKF-ZDUSSCGKSA-N
+O(C1=C2C(=C(C=C1)CCl)C=CC=N2)C4=CC3=C(C(NC3)=O)C=C4[N](=O)=O,8DFB41600309705A_9FB0117251B5231E_6003_UN,8.757235,00000000000000000000000010000000000000000000000001000000100000010100001100000000001100000101101110101111010000100100010111101111001001111110101111101011111111110111110,LIWUQWGVCSKUQE-UHFFFAOYSA-N
+N3CCC(OC1=CC2=C(C=C1)[N](C(=C2)C)C)(CC#N)CC3,3D40440F5BD62435_5681D5308E4047B5_6035_DP,8.756866,00000000000000000000000000000000000000000100000000000000000000000110000000010000001101100001010011101100110000011100001011100111110010000110001111011111110111101111110,GUIIRYGJMSKLLO-UHFFFAOYSA-N
+COC(OC)(OC)C2=CC1=C(C=CC=C1)C(=O)N2CC3(C(C)(C)C)CNCC3,365ACBA85739697A_BC2292C0353F68A2_6034_UN,8.756664,00000000000000010000000000000000000000000000000000000000000000000110000000110000101101100011110110101100111010111100111011110111110000000110111111111111011111111111110,PPHKBFZPTDEOSE-UHFFFAOYSA-N
+NC2(COC1=C(C=C(C)C=C1Br)CC=C)CCCNC2,AE9379B1FB48D289_DF42D246D668E5F7_6035_DP,8.756374,00000000000000000000000000000000001000000000001000000010000000000010000000000001001010110011000101111000100111011100001001000011110101100110001111010011110111101111110,LVVZGKSQNJICAN-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C3(OCCC2SCCS2)CCNCC3,2C6E05BA6B041B6B_25A6CD2665B95575_6039_DP,8.7563505,00000000000000000000000000000000000010000000000000000000000000100010000000000000011100101001000011101000100011011000001011000011110010000110000111010011110101101111110,ILGKOSIBKKMVKO-UHFFFAOYSA-N
+CC1=NC(=CS1)C2=CC=C(S2)[S](=O)(=O)NC3=C(N(C)C)C=CC(=C3)Br,A227CDD4960ABA97_E4A9E2EDB13905FB_6026_UN,8.756342,00000000000000000000000000000000110010000000001100010001001111101101010001100001010101111000011010000010001100001000010011101100001001111100011010001111000010111111110,FGZYTOVISQKWKG-UHFFFAOYSA-N
+CC1=NC(=CS1)C2=CC=C(S2)[S](=O)(=O)NC3=C(N(C)C)C=CC(=C3)F,5FA9BFD329165490_DE8300264451F5BE_6026_UN,8.756341,00000000000000000000000000000000110010000010000100010001001111101101010001100001010101111000011010000010001100001000010011101100001001111100011010001111000010111111110,DTWMFPVQWJSLDW-UHFFFAOYSA-N
+CC1=NC(=CS1)C2=CC=C(S2)[S](=O)(=O)NC3=C(N(C)C)C=CC(=C3)Cl,48022B022349F460_E73FD8BF7DD9703C_6026_UN,8.756334,00000000000000000000000000000000110010000000000100010001001111101101010001100001010101111000011010000011001100001000010011101100001001111100011010001111000010111111110,PRKCTCIBRGJLJS-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C3C(=C(N)C=C2)C=CC(=C3)Cl)C(F)(F)F,8C5B66F84D1DDFEE_15440693E1583E76_6035_DP,8.756323,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110001000000101101111110011100101001000111110101110110001101010001110011101111110,WDFDEVSCBCIBEM-UHFFFAOYSA-N
+CCC1=N[N](C)C(=C1CN2CCNCC2)C3=C(C=C(C)C=C3F)F,892ABFCC991A3DB0_9A2E89A6FE981FED_6006_UN,8.75622,00000000000000000000000000000000000000000010000000001000000000100100000000010001101101110001011010101000100110010010001011101100110000100110011011011111010110101111010,SBKJBRSWDZBFSF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC=CC=CC)C3=CCNCC3,175F324DF17BD327_7FC5A85D4BC8707B_6034_UN,8.756012,00000000000000000000000000000000000000000010000000100000000000100100000000011000001101110001000010111100110100010000001011100100110000100110001001011001010110101111010,QMHXGFNUORDHNS-UHFFFAOYSA-N
+N2CCCC(OCCSC1=C(C=C(F)C=C1)F)(CC2)C#C,93211132BF8C3CAD_86983E4AD0A62924_6039_DP,8.7556505,00000000000000000101000000000000000000000010000000000000000100001010000000000000011000111011000001001000100101011000001001000011110010100110000110010011110101100111110,ZSFUHRUXTANOLA-UHFFFAOYSA-N
+NC1=CC(=CC=C1)N2C=CN(C2=O)CC4CNC3=C(C=CC=C3F)C4,E20328A13AB6B7B3_BA9B84174D504D2D_6034_UN,8.755622,00000000000000000000000000000000000001000010000000000000000000100100000000010101101111010010000010101100011100100100010011100101100101110110001111001011011110100111110,PMLTYHHVLLRBST-UHFFFAOYSA-N
+CCCC1(CNCC1)COC2=CC(=C(C=C2)C(F)(F)F)CN,404040B2EA5014A3_FFF742EE132E4FB1_6035_UN,8.755476,00000000000000000000000000000000000000000010000000000000000000000010000000000000001110100011000011001000101111011111001001000011110100100110001110010011110101101111110,WDFNBXMTFHUVQK-UHFFFAOYSA-N
+CC(OC1=CC(=C(C)C=C1C2CNCC2)Cl)CCCC#C,E3DB0B85DF9650D4_741970F68688051B_6035_UN,8.755304,00000000000000000100000000000000000000000000000000000000000000100000000000000000001100110011000010001001100110010101101001000011010010100110000110010111110101101111110,IVYFJGZTLKYVLM-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2=NC=CO2)NC3=CC=C(CO[Si](C)(C)C)C=C3,FC14962F04F39116_8E23D9EA3988EA54_6041_UN,8.755121,00000000000000000000100000000010000000000000000000000000010000100100000000100001000100100000110110100010000001101000110011001110000001010100011001001101010111111111110,DFGGZGIYOBJGBT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C[S](=O)(=O)CC#N)NC2=CN=C(C=C2)N3CCOCC3,4FA8D911EB0DC6EB_422F7658087A03EC_6041_UN,8.754696,00000000000000000000000000000000000000100100000000010001011011100101000001010101000001101000000101101010000001011000001011101100111011011110001001111001010111110111110,KFEKDLXIMSRNBN-UHFFFAOYSA-N
+O(CCC#CC1=CC=C(C=C1)CN2CCOCC2)CCCC3(C)CC3,5B21F8471BBD93A4_5BEB7FBB5302D90D_6039_UN,8.754694,00000000000000000100001000000000000000000000000000000000010000000010000000010000000001100000000100101000000011011001101011100010110010000110000001011000010101111111110,DDWFFJSWYKPSQO-UHFFFAOYSA-N
+CCOC(OCC)C=C(C(F)(F)F)C1(CCNC1)C2=NC=CC=C2,2A80BA2AB4731CF8_F7AF7DB4BB7F4466_6009_UN,8.754645,00000000000000000000000000000000000000000010000000100000000000100110000000001000101100100011000010111000101101011010001011010010110000100110001000010101010111111111110,SPGQKYURNYFTIL-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(C=CC(=C2)CSC)Cl)C#N,DAFEB57A70AC2CC3_54F08B0792382B21_6026_UN,8.754517,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000111001011000000011001100001001010000001100001001111000001011001111010110111111110,ZODRZXATWTXTDK-UHFFFAOYSA-N
+COC2=C1C(=NC=CC1=CC=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,896299C27429BFE5_BD500F0B440CE135_6041_UN,8.754337,00000000000000000000100000000010000000100000000000000000000000000100000000100100000000100000010001100110010001001100100001001111000001010100011101001101110111111111110,MBMLOCOSMFSOHR-UHFFFAOYSA-N
+CCOCCOC1=C(C=C(C=C1)NC3=CC2=C(C=C[N]2C)C=C3)[N](=O)=O,E2ED36AADD982CC8_700518964A3D54C7_6041_UN,8.754332,00000000000000000000000010000000000000000000000001000000100000010100001110010000100101100100011110000110010011000110101101101111011011010110101111111111110111111111110,ACFJYDUMPBCJNB-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C#N)F)N[C@H]3CNC[C@H]3CC,67214775AAA333AF_3176C28F84EB4092_6041_DP,8.7542925,00000000000000000000000000000000000000000110000000000110000000000000000000000001101100110011000011001000100110010110100001000111110101110110001111000011110111101111110,VMOONXJSVMOYKI-ACJLOTCBSA-N
+O=[N](=O)C1=CC(=C(C=C1)CC#N)NC3=CN=C(N2CCN(C)CC2)C=C3,799D06E34F6FC296_06B70FE40C12A9DB_6041_UN,8.754026,00000000000000000000000010000000000000100100000001000000100000110100001100010101100001100010011000101010000000010001101111101100111001010110001011011011010110111111110,GOFITBGGTIDDQV-UHFFFAOYSA-N
+N1CC(F)(C1)C2=CC=C(C=C2)C(=O)OCC3C4CNC3CCC4,8037052CDC5B7AC9_7054D4640B9E1424_6031_DP,8.753929,00000000100100000001000000000000000000000010000000000000000000100010000000000000001100110011000011001000110101011000001011010010110100100110001001010001011111110111110,JXORAYBFEOTZLT-UHFFFAOYSA-N
+C1NCCN(C1)C2=NC=CN2CCOCC3=C(C=C(CN)C=C3)F,74B05C28EF185786_568984DF1A15BDCD_6034_UN,8.753669,00000000000000000000000001000000000000000010000000000000000000100100000000010101001111110001000110101000101101010000001011100110110111110110001011011011010111100111110,XEDKJAKNQYIUOG-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OC(CC2=CC=C[N]2C)=O)CC3,DD2F454FF3831EB0_8856C26BAF9FC964_6038_DP,8.752971,00000000000000000001000000000000000000000000000000000000000000000100000000010000001101100000010011001100110000010100101011110111110010000110001110011011111111111111110,HSBPXAIOFBWVKS-UHFFFAOYSA-N
+N4CCC1=C(C=CC(=C1F)NC(C2=CC=C[N]2C3CCNCC3)=O)C4,6C3C2D15404EA668_F60E9FE46CFB3F9A_6038_DP,8.75235,00000000000000000000000000000000000000000010000000000000000000100100000000010001101101110001100110101100110100110000011011100100110101110110001011011011011010100111110,RVZSTYNMYRGRKN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SC=C2)NCCCCC3=CC=C(C=C3)[N](=O)=O,CB60ED93B03ACC64_55B29D1CED1ADBB5_6041_UN,8.752167,00000000000000000000000010000000000010000000000001000000100000010000001100000000011100001011001010001110110000010000001100101100011001010100001001011001010110110111110,RDRQXUXIYCKEJW-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)OC2=CC3=C(C=C2)N=C(Cl)C=C3Cl)F,3599904412180159_AD2099F9CB8FED91_7022_UN,8.752116,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001110000010000101101010100000101000001100111000000100100001111001110110111101111110,XHSALSIDJUGPKQ-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)OC(=O)C2=C(C=C(C=C2F)C#N)F)C3,3C8293B59D5EF007_381E5684E8B2E4BB_6038_DP,8.751826,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101100110100010100001001010111110000100110001111010011111001110111110,OFXUIICPKIMMKN-UHFFFAOYSA-N
+O(CC2(CC1=CC=C(C=C1)F)CCNC2)C3=C(CC)C=C(C=C3)C#N,7E085F7F64EBB9D2_9DD57FC499FD4264_6035_UN,8.751424,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100110011000011001000100101011110001001000111110000100110001111010011110101101111110,FZOYNLQRERIMJE-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=C(C=CC=C1Cl)Br)C2(CCNCC2)C4=C(CC3)C=CC=C4,C87D360030EF74DD_67A0ECD54F24C3B2_7017_UN,8.7513485,00000000000000000000000000000000110000000000001000010001001111001011000001010000111000111001001000101111111100011000011011101100111000101110001011011011010010110111110,HQADHXAYJKBOHM-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=C(C=CC=C1Cl)Cl)C2(CCNCC2)C4=C(CC3)C=CC=C4,05CC8148C8A70B0E_A086BCF09D0749BA_7017_UN,8.75134,00000000000000000000000000000000110000000000000000010001001111001011000001010000111000111001001000101111111100011000011011101100111000101110001011011011010010110111110,GONXIJPBVYRRKL-UHFFFAOYSA-N
+CC1=C(C=CC=C1Br)CC(CN)COC3=CC2=C(CCNC2)C=C3,E9C984EA62997139_BEBCF368BECB3F8E_6035_DP,8.751048,00000000000000000000000000000000000000000000001000000000000000000000000000000000001010110011000001101100110101010100101001000111110100100110001111010011110101101111110,DTOFJZWXUPAVIE-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC(NCC)C)C3=CCNCC3,5AEEA41791B3C741_40BFF4EDCE798FCC_6034_UN,8.750743,00000000000000000000000000000000000000000010000000100000000000100100000000011001001101110001000010111100110110010011101011100100110100100110001001011101010110101111010,MVZPTKLBVPSOJR-UHFFFAOYSA-N
+COC2(COCC1=CC(=C(C=C1)C)CCCCOC)CCNC2,0A56851443814338_816EE468248C15D2_6039_DP,8.74976,00000000000000000000000000000000000000000000000000000000000000000010000010000000001100100011010111001000100011011001101001000011110010000110010110110111110101111111110,SCDTUACWGGBYJO-UHFFFAOYSA-N
+CC(OCC1=CC=CC2=C1CCNC2)CC3=CSC=C3,514E234DA0F3375B_1AEBFF0C7E86850C_6039_DP,8.749617,00000000000000000000000000000000000010000000000000000000000000000000000000000000001100101001000010101100110001010001101011000110110010000110000011010001110101101111110,YKAYEOHBJYZKDX-UHFFFAOYSA-N
+FC2=C(C=C1C(=CC=NC1=C2)N[C@@H]3CCN(CC)[C@H]3C4=CC(=C(C(=C4)F)F)F)F,13E71202848D95D3_5AFD232BD7833AFB_6041_UN,8.749541,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011000010101100110110010010101011100100110001110110001011011011010110101111010,CPFUCHKUULKTTM-NQIIRXRSSA-N
+CC1(C)COCCC1OC2=CC(=CC=C2)CN3CCNCC3,BE81E9F862EF6982_E69296D797C7A016_6035_UN,8.748665,00000000000000000000000000000000000000000000000000000000010000000010000000110001001001100101000000101000100011011101101011100011110010000110001101011111110101111111110,KBTPZUKFFOEODZ-UHFFFAOYSA-N
+NCCCC1=CN(C=N1)CC2=C(C=CC(=C2)N=[N]#N)F,4A7FEE6CA4B89D99_95916AEC138F4537_6034_UN,8.748204,00000000000000000000000000000000000000000010000001001000000000000100001000010101001111010010001010001000100100010000001111101100101001110110001010011011010110100111010,TTZJPKKAHPWMND-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC4=C(CC)C=CC=C4F,D8FB0DEB96708A55_A977BE8544F8230D_6034_UN,8.747281,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011000010001100110110010010001011100100110000100110001011011011010110101111010,VTNPFXZZBSSGKL-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CCOCCNCCN(C)C,57B99C3E326FD509_1DEFFEBF551C9990_6034_UN,8.746836,00000000000000000000000000000000000000000010000000100000000000100100000000111001001101110001010110111100110101010001101011100110110110100110001001011101010111101111110,OYGHBTYDDKPLPL-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C4=C3OCC(C3=CC=C4)=O)(=O)=O,707A5E9BFE93330D_231F015423FBDEC2_6029_UN,8.746389,00000000000000000000000000000000110000000100000000010001011111001101010011000001010100001100001011100110011001001100010011001101001011011100101111101001111011110111110,FJSKGSFZIGVFBV-UHFFFAOYSA-N
+NCCC1(C2=C(CC1)C=CC=C2)OC3=CC4=C(C=C3)CCCNC4,DE7522190184C5BD_AB4E96122A934D7C_6035_UN,8.746225,00000000000000000001000000000000000000000000000000000000000000000010000000000000001010100011000011001100110000011100001001000111110110000110001111010001110101100111110,MNJYALSVQFOPRD-UHFFFAOYSA-N
+CC2=C(C(=C1C=C(C=CC1=N2)F)NC[C@@H]3C[C@@H](CN3CC4=NC=C[N]4C)F)C,CD563DDE6F7F0E10_DE4F11B0F09BFC62_6041_UN,8.74614,00000000000000000000000000000000000000100010000000000000000000000100000000010101101101110011010010101100010110010000100011100100110001110110011011001111010110101111010,UHAQRWQMDGVMJZ-IRXDYDNUSA-N
+C1(=NC=C(C=C1)C2(CC2)C#N)NC3=C(SC)C=CC=C3C,078AA045A108F1F6_FF10C00D0CA97F91_6041_UN,8.745582,00000000000000000000001000000000000000100100000000000000000100101110000000000100010000001000010000100000000000001000000001000100000001010100001011010111000010101111010,DEAJWXPXBFRAGB-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2OCCO2)NC3=CC(=C(N(C)C)C(=C3)F)F,B4B5CEF618882183_CAE7EEBC90233497_6041_UN,8.745297,00000000000000000000000000000000000000000010000000000000010000100100000010100001000101110000010110100000000101000000001011110100000011110110001011011111010011111111110,ZPVKMONBXHLCRS-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CC(=O)C2)NC3=CC(=C(SC)C=C3)F,A15941EEA6310CF5_50ED4C3498B05C6C_6041_UN,8.745041,00000000000000000000000000000000000000000010000000000000000100001000000000000000010000011001010010000100010100000000000000000101010011110000000111000011101010101111110,ZUTDNIPUAKHRPE-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N)C=C3Cl)F,8F016B2C610DA0E7_7A257AB7785285BA_6035_UN,8.7449665,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110110011000111001001101100011100001001000111010111110110001111010011110011100111110,IXUDXZQBQZGEFX-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N)C=C3F)Cl,C5C8B1779633C069_C916512437E508EC_6035_UN,8.744955,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110110011000111001001101100011100001001000111010111110110001111010011110011100111110,HEKCBFRKXWADHF-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N)C=C3Br)F,85B1F50F89E9B758_730D176388873F4C_6035_UN,8.744954,00000000000000000000000000000000000000000010001000000000000000100010000000000000001110110011000111001000101100011100001001000111010111110110001111010011110011100111110,RIPKUQUZUBQTEU-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NC3=C[N](N=C3COC)C,05F4EDD3919007AC_15026B96D207927A_6041_UN,8.74487,00000000100100000000000000000000000000000000000000001000010000100110000010010001100100100010011111000000000011011001100011101111000011010110011110101111110111111111110,HVKPWEQFBVILPV-UHFFFAOYSA-N
+C[N]1C=CC=C1C(OC2=CC3=C(C=C2)CNCC34CC4)CN,3526B1DF265BA25D_16950AFBE7B7D45B_6035_UN,8.744324,00000000000000000000001000000000000000000000000000000000000000000110000000010000101111100011010110101100010010001100000011100111110110000110001111011011110111101111110,MCYJTPNXFDQXKE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCCO2)NC3=CC(=CC(=C3)F)N4CCCC4,9E74F2BFFB4C3C12_589AD155F9F49C81_6041_UN,8.7441,00000000000000000001000000000000000000000010000000000000010000100000000010010000100101110100000011001100010101010100001011100100010011110110001011011001110011110111110,HXGUANLJXXLWIN-UHFFFAOYSA-N
+CO[C@H]1O[C@@H](CNC1)COC2=CC=C(C=C2)C3CNCC3,82FC2EE643344F3D_142C79F67C20F2B5_6035_UN,8.743961,00000000000000000000000000000000000000000000000000000000010000100000000010000000001100100011010111101000100001010100101011010011110110000110001101110001110101111111110,XHYYMSQHJFUTSA-FMYDAXTQSA-N
+N4CCC1=C(C=C(C(N1CC3=CC2=C(OCCN2C)C=C3)=O)C#N)C4,4EFE2D043D804087_034B17DFE1855948_6034_DP,8.743563,00000000000000000000000000000000000000000100000000000000010000000100000000010000101001100001110101101100110001110101111011100101110010010110001111011011111111111111110,KTBGBBWQSCNLAO-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=CC=CC2=C1N=C(C)C=C2C)[C@H]4CCCN[C@@H]34,44F8E28F3538592F_A33F133039FAB3ED_6035_UN,8.743521,00000000000100000000000000000000000000000000000000000000000000000110000000100000001000000011000101101100110010011100001011000111100000000100011101010111110011101111110,XNWKYAYYZFPBCN-IPELMVKDSA-N
+C[N]1N=CC2=C1C=C(C=C2)NCC3CCCOC3C(C)(C)C,3766156661976F03_9C0D465EB9F1A24A_6041_UN,8.743193,00000000000000000000000000000000000000000000000000001000010000000110000000110000101100000011011011101100010011001000001011101100110011010110011001011111110111101111110,AKVLUDJITURCIT-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)CC#N)OC2=CC=C(OC)C=C2C#N,DDFCEC50E7CC9CB2_1097F03415A71970_6003_UN,8.743149,00000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000010001000000000010010100000000000111000000000000001111000110100101011111110,AWLCQTXQDHSIFU-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)CN(CC2)[S](C3=CC=C(CCOC)C=C3)(=O)=O,AB946B3352DE645B_A080384D15773C01_6029_UN,8.74313,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000101000011000101110011001011001111001101110111010001110001011111000010111111111110,NOMVKUSPGOBQQP-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)F)[N](=O)=O)NC3=CC2=C(N=C(N(C)C)C=C2)C=C3,9C5A7A4D81245378_51B7DD2AD07ED4B9_7022_UN,8.742204,00000000000000000000000010000000000000100010000001000000100000010100001100100100100001110000011000100110010100000000000101101100001001110100001011001111000010111111110,JAGTWAAIWPSDJC-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)[N](=O)=O)NC3=CC2=C(N=C(N(C)C)C=C2)C=C3,86A2B9E55166DF6B_1A5F2F686E150C19_7022_UN,8.742199,00000000000000000000000010000000000000100000000001000000100000010100001100100100100001110000011000100111010100000000000101101100001001110100001011001111000010111111110,JVDHEQMINXAGNZ-UHFFFAOYSA-N
+C1C(CN1)C2=CN=CN2CC3CCC(O3)C4=CC=CC=C4,416BF64D1C9DB19E_FC7D27AF2F2C5619_6034_UN,8.74217,00000000100100000000000000000000000000000000000000000000010000100100000000010101101101100010000110001000000000000000001011100100110010000110001010011011110111100111110,JXOWLGYXTLYVGG-UHFFFAOYSA-N
+FC2=C1N=C([N](C1=CC=C2)CC3(CCNCC3)N)C(F)(F)F,57E29CB9ED821D85_D1F84CC38E9722AC_6034_DP,8.741937,00000000000000000000000000000000000000100010000000000100000000000110000000010101101111110011000010101100111100011000001011100100110101100110001011011011010110100111010,SYBSEYGPFFMVEH-UHFFFAOYSA-N
+CC1=C(N=C(N1CCC2CCC(C)CC2)C3CCCN3)C4=CC=CC=C4,9AF13B0384B23174_A2DCA363DD13A256_6034_UN,8.741786,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101000011000010001000100010010001101011100100110000000110001011011111010110101111010,CNFXEUBJWNHQSQ-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)[N]3CC(CC4=CC(=C(OC)C=C4)Br)CN,9C75476834DC9B85_FFD6032A314BC60D_6034_DP,8.741701,00000000000000000000000000000000000000000000001000000000000000100100000000010000101111110011010010001100110100010100001011100111110100100110001111011011110111101111110,QPRNIOMQENQYSJ-UHFFFAOYSA-N
+C[N]1N=NC2=C1C=CC(=C2)COC3=CC=C(CNC(C)(C)C)C=C3,127773317F4AB4CB_69DE631A7C2B129B_6035_UN,8.741429,00000000000000000000000000000000000000000000000000001000000000000110001000110101101100000000011010001100010001001100100011101111001000000110011101001101110111101111110,SJTZBEIEWMAIOX-UHFFFAOYSA-N
+N2CCC(CC=CC1=C(F)C=C(C=C1F)C(F)(F)F)(CC2)C#N,DF162B191D91D5E4_55FFC9DC9C940BA3_7019_DP,8.741366,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000110001000000111000101100011000001001000000110000100110001011010011010100100111010,GOLKYLPKHXWLHG-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C3=C2C5=C(SC2=NC(=N3)NC(C)(C)C4=CC(=CC=C4)C#C)CCC5,1D7406467E6E8EC6_9A8F606EB71C15FE_6041_UN,8.74111,00000000000000000100000001000000000010000000000100000000000000100110000000100100110100001000000010100100011000001000001011000100010001010100011011010101000010101111010,FHYWVKGXPPRKTG-UHFFFAOYSA-N
+CCCC4(COC1=CC3=C(C=C1)NC2=C(C=CC=C2)C3=O)CCCN4C,779F3928AED2442B_91040EE162FDF44D_6035_UN,8.741058,00000000000000000000000000000000000000000000000000000000000000000110000000010000000101100000010111101100010011011111101011100111110000000110001101011111111111111111110,HFUHSZFIGQGWOE-UHFFFAOYSA-N
+N2CCC(OC1=CC=C(C(F)(F)F)C=C1C#N)C(F)C2,2BDE30E2FA054C7B_147A251D102DDD60_6003_DP,8.740668,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000001101000101100011100001001000011110010100110001111010011110001100111110,HYRSRKFUQGIRRF-UHFFFAOYSA-N
+N3CCC(C)(COCC2=C1C=CC=CC1=C(C=C2)C#N)C3,94D6FB970B9FE233_65AC1BF03C8BA0DB_6039_DP,8.7404785,00000000000000000000000000000000000000000100000000000000000000000010000000000000001100100011000011001100110011011001101001000110110000000110001001010001010101101111110,QSYJDVQEEWKFSH-UHFFFAOYSA-N
+O(CCCN1CCC(F)C1)C2=CC=C(C(=C2)SC)C#N,33AD5D4210072E83_CBEF70AECDE05EAB_6003_UN,8.740066,00000000000000000000000000000000000000000110000000000000000100001000000000010000010101111000010011001000000101010100001001100011110010100110001110011010110101101111110,GWAXWEYWXGTZGG-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3=C(C=CC=C3)C4CCNCC4)CC#N,110532F7632C4110_D786EEE2BB4ACE66_6034_UN,8.740021,00000000000000000000000000000000000000000100000000000000000000100100000000010000001101100001000010101100110000010000001011100100110000000110001011011011010110101111010,APXFOXPMULZBBI-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC=CC(=C2N)F)C#N)CC3,35EDBADDA6E021DE_2F924061F1FEE783_6035_DP,8.739417,00000000000000000000001000000000000000000110000000000000000000000010000000000000001010110001000101101000110101011100001001000011110101110110001111010011110111100111110,ORGYJTZRNGEVIL-UHFFFAOYSA-N
+N3CCC1(CC1(COC2=CC=CC(=C2N)Cl)C#N)CC3,35FAD9AA1DE27B03_142B8E3E2E61CF10_6035_DP,8.739409,00000000000000000000001000000000000000000100000000000000000000000010000000000000001010110001000101101001110101011100001001000011110101110110001111010011110111100111110,CKQBAHHFUDEMPO-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COC2CCOC2)N[C@@H]3[C@@H](CCNC3)F,E7A91A462EBB35F1_162020DC49517418_6041_DP,8.739339,00000000000000000000000000000000000000000010000000000010010000000000000010000001001100110111000010101000100101010000001011000011110111110110001101010011110111110111110,YQCFTUZTKJSXGC-JAIYHHTPSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=C(CC)C=C2)N,CB3D3A224A564483_359596DD46541536_6035_UN,8.739143,00000000000000000000000010000000000000000000000001000000100000010000001100000000001010000001011101001010100001010110001100101111001111010010101111111111110111111111110,MIMNDIWCRYEIDX-UHFFFAOYSA-N
+N3C[C@@H](COC1=C(C=C(N)C=C1)CN2CCOCC2)[C@@H](C3)C(F)(F)F,0FA8EC453EA5FA60_1B0DC904C6AD3BE9_6035_DP,8.739001,00000000000000000000000000000000000000000010000000000000010000000000000000010000001111100011000111101000001101011100001011100011110111110110001111011011110111110111110,IXLVUHIVBHLEGR-DZGCQCFKSA-N
+N1CCC(CC1)N3CC(OCC2=C(CC(C)C)C=CC=C2)C3,57ABD0FD65D7BA18_B37BEE37F470A49E_6039_DP,8.738685,00000000100100000000000000000000000000000000000000000000000000100000000000110000101001100001000100101000100001010001001011100011110011000110001111011111110111101111110,IKYOQJTWIKGFNI-UHFFFAOYSA-N
+N3C[C@@H](OC(=O)C1=C[NH]C=C1C2=C(C=CC=C2)F)[C@H](CC#N)C3,2CA00C428554C367_E296B2A0BB79E271_6038_DP,8.738649,00000000000000000000000000000000000000000110000000000000000000100100000000000000001100110011000111001000000100010000000011010111110110100110001110000011111101110111110,YRCLILVLPVWTGD-BDJLRTHQSA-N
+O(C(=O)C1=C2C(=CC=C1)CNCCO2)CC3=CC4=C(C=C3)C(=O)CCN4,7D714C51E4E68ACA_767974DAFEA00368_6031_UN,8.738194,00000000000000000001000000000000000000000000000000000000010000000000000000000000001000100101000101101100110001010100001011010111110110011110101111110001111111110111110,HCEOLLHFKWOQET-UHFFFAOYSA-N
+N3CCCC(N)(COC2=C1C=CC=CC1=C(C=C2)C#N)C3,34B8009D5508F252_CA143050DE62D6C0_6035_DP,8.73812,00000000000000000000000000000000000000000100000000000010000000000010000000000001001010100011000101101100110001011100001001000111110101000110001101010001110111100111110,MNURDLCNVFLNDN-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)N(C=C2)CCNC3=C(OC)C=C(C=C3)[N](=O)=O)N,102C2E88D11E1F7C_73E28C5D7D6A7818_6034_UN,8.738115,00000000000000000000000010000000000000000000000001000000100000010100001100010001101111000000011111001110110000010100001101101111001101010110101111111111110111111111110,ZQICHSFNMYPKCL-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(N)C=C3Cl)Cl,DB85AD4AC2CF0811_85340F7B80E73F81_6035_UN,8.738053,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110110011000111001001101100011100001001000111010111110110001111010011110011100111110,URNQIRNGUWFQOE-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(N)C=C3I)I,67504169EF6D9C26_333F7B5DFC238191_6035_UN,8.738035,00000000000000000000000000010000000000000010000000000000000000100010000000000000001110110011000111001000101100011100001001000111010111110110001111010011110011100111110,YXZOVZZJIAGIJO-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)NC2=CC(=C(C)C=C2)N3CCC[S]3(=O)=O)CC#N,FA27B0A7C2A7FE14_7C1BB29DC5263324_6041_UN,8.737156,00000000000000000000000000000000110010000100000000010001001011100001000001010000110100001000001010001010001010011000111011101101011011011110001111011111010110111111110,CIJCVIFIAKXCSZ-UHFFFAOYSA-N
+C1(=CC3=C(C=C1)N=C2CCCN2C3=O)NC4=C(CC)C=CC(=C4)[N](=O)=O,949041BC8F98875F_0088E17A3D2286A3_6041_UN,8.736897,00000000000000000000000010000000000000100000000001000000100000010100001100000100100101000010101011101110010000110110011111101101011001011100001111111011011110111111110,AQPZZRRKUCUBSA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC2=CC=C(SCCOC)C=C2)CC#N,4551400E94459C76_725D0E7E12C41673_6041_UN,8.736881,00000000000000000000000000000000000000000100000000000000000100001000000000000000010000101001010000000000000011010101101000000111000011010010001111010111110111111111110,LIBXHUYOCZNERN-UHFFFAOYSA-N
+CC(=O)C1=C(C=CC(=C1)[N](=O)=O)NC2=C(CC)C=CC=C2CC,82B991FBDE6C19ED_DA10D0E0E5B0579A_6041_UN,8.7363,00000000000000000000000010000000000000000000000001000000100000010000001100000000000000000010001001000010000000000010000100101100101001011000011011101111101110111111110,ABDPKXIKRHXMJN-UHFFFAOYSA-N
+CC2(C)COCC(COCCC1(CCNCC1)C#N)O2,CE3F211CEE2B0953_4125F2C9DE746A65_6039_DP,8.7362385,00000000000000000000000000000000000000000100000000000000010000000010000010100000001000100101000000101000100011011001001011000010110010000110001001110101110101111101110,WBOZGJLXIJRSKG-UHFFFAOYSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=C(C3=C(C=C2)C=CC=C3)CNC4CCCC4,7176A8A4B58F55D4_B2AD0D9522899185_6035_UN,8.736126,00000000000000000000000000000000000000000000000000000000000000000000000000100001101101100011010111001100110010010100101001100111110111000110001111011111110111101111110,YWBJHIQREKELSS-IFMALSPDSA-N
+C1(=CC2=C(C=C1)[NH]N=C2)NC3=CC=C(C=C3)CN4C(=O)CSC4=O,4F832CF2BD4A0DE1_73140B1C6877C2B6_6041_UN,8.735567,00000000000000000000000000000000000010000000000100001000000000000100010000010000110101001100101010001100011000110000010011101101110111011110001101001011011110110111110,ZWAJTFVKYZBXQL-UHFFFAOYSA-N
+CC(C)(C)C2CCC(COC1=C(C=CC=C1F)CC=C)NC2,B6D952EC8065E8F9_D60179AE4D46A996_6035_UN,8.735402,00000000000000000000000000000000001000000010000000000000000000000010000000100000001000010011000100111000100111011100101001000011110000100110010111010111110111101111110,PZIQSRDOKKHJJG-UHFFFAOYSA-N
+C[N]1C(=NN=C1)CC2(CNCCC2)OC3=CC=CC(=C3Cl)C(C)(C)C,856917D1BDB50CBE_934668F3558D1D86_6035_UN,8.73535,00000000000000000000000000000000000000100000000000001000000000000110000000110101101101110011011111101001100100011100101011101111110010100110011111011111110111101111110,ADLXREAGJCMCRD-UHFFFAOYSA-N
+CCCC3(COC1=C(C=CC=C1Cl)N2CCNCC2)CCCN3C,F3955B52497A037C_D51BD576188EB723_6035_UN,8.735327,00000000000000000000000000000000000000000000000000000000000000100010000000010001001101110001010110101001100111011111101011100011110001110110001111011111110111101111110,JUOWLPJSOXISNR-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNC2)CC3=C(CN(C)C)C=CC=C3,4CF4C5667A05564D_4785C6252C2A74C5_6031_UN,8.735249,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010000101100110001010001001001110110110000000110001011011111011101111111110,GXFGMZMAUXUGKE-UHFFFAOYSA-N
+CC1=CC(=CS1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,81C81D0F44C1E1F9_13E497C7A8026391_6026_UN,8.735056,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101000011111000010001000001100010000101111001001011100011111101111100011111111110,ZXELTVAXRSXOFH-UHFFFAOYSA-N
+CN(C)C3CCC(OC2=CC1=C(N)C=CC(=C1C=C2)C#N)C3,2C83320F6A7E7463_B88EB98CC3914F0F_6035_UN,8.734956,00000000000000000000000000000000000000000100000000000000000000000000000000100000000011100000010011000100010010010100101000100111010011010000001101011101100011101111110,PHOUPQWMCLJRHF-UHFFFAOYSA-N
+C1(=NC=NC(=C1)N2CCSCC2)NC3=CC(=C(C=C3)F)[N](=O)=O,BB4AD6AF624750CC_1DE1D9B101B5B43C_6041_UN,8.734653,00000000000000000000000010000000000010100010000001000000100000110100001100010100100001111000001000101010000100010000001111101100111001110110001011011011010010110111110,ZCOJZHINWIRVNZ-UHFFFAOYSA-N
+CCC2(C)CCCN(CCC#CC1=CC(=C(C=C1)F)CC)C2,941A2D3AF4718116_22E0B1FE5081750C_2267_UN,8.734406,00000000000000000100000000000000000000000010000000000000000000000010000000010000000001110000000000101000000110011011101001100000110000100110010011011110010100101111010,SJNPTHPEEIBJSQ-UHFFFAOYSA-N
+CC4(C)CC1=C(C=CC(=C1)NC2=NC(=N[N]2C)[C@H]3CCCN3)O4,21E4482B5EC99325_6230CD6BC7263957_7022_DP,8.733885,00000000000000000000000001000000000000100000000000001000010000100110000000110101101100000011011010001100111000011101001011101100010111010100011010011111110011101111110,YGWQUNCEKNRQHH-CYBMUJFWSA-N
+COC1(CN(CCC1)CCC#C)COC2=CC3=C(C=C2)OC(C)(C)CC3,A45071C8471EE17C_1368FB5637AA7315_6035_UN,8.733455,00000000000000000100000000000000000000000000000000000000010000000010000010110000000001100000010101101100010011011101101011100011110010000110010111111100110101111111110,GMLJLLCFSYVNIK-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2F)F)F)CC3N(C)CCNC3,EF814C9EF989B40B_797EC2B7E4899AA2_6034_UN,8.73288,00000000000000000000000000000000000000000010000000000000000000000100000000010001101111110011010010101100110100010001101011100100110100100110001011011011010110101111010,JVJDKHFTKNSHAY-UHFFFAOYSA-N
+O(C(=O)CC1=CC2=C(C=C1)[NH]C=C2)CCNCCCOC,E3CFDF715C8C1EC5_1405E90496AABA5E_6031_UN,8.732048,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100100010010111001100110011010001101001010110110110000110001000110001011111111111110,ONNDYTZSZMRIIY-UHFFFAOYSA-N
+N(C1=CC(=CC(=C1)F)N2CCOCC2)[S](C4=C(Cl)C=C3[NH]C=CC3=C4)(=O)=O,6427238BE6C79179_05D76ED8E568592D_6029_UN,8.731911,00000000000000000000000000000000110000000010000000010001011111101101010001010000110101111000001110101111011101011000011011101100111111111110001011111011010011110111110,BLFXXUUCPUYKGA-UHFFFAOYSA-N
+N(C1=CC(=CC(=C1)F)N2CCOCC2)[S](C4=C(F)C=C3[NH]C=CC3=C4)(=O)=O,CAC3A12B4DFEB8AF_98C93A995AC7B72F_6029_UN,8.731906,00000000000000000000000000000000110000000010000000010001011111101101010001010000110101111000001110101110011101011000011011101100111111111110001011111011010011110111110,RZCJLUHWWMVTKI-UHFFFAOYSA-N
+N3CC(OC1=CC2=C(C=C1)CNCC2)(C3)C4=CC=C(C=C4)Br,685A2D833B29A1C1_FDE2F30E78F89938_6035_DP,8.731289,00000000100100000000000000000000000000000000001000000000000000100010000000000000001000110011000100101100110100011100001011000111110110100110001111010001110001100111110,DOYQSXKOAAYRIO-UHFFFAOYSA-N
+O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)NCC3=CC(=C(SC)C=C3)C#N,2C12864C1A0686AA_DA36E4FD680457D0_6041_UN,8.731267,00000000000000000000000010000000000000000100000001001100100100011100011100000001111100001000011011001110010000000000000111101100001101010100001011001011010110111111110,SXKVTVIJDNGUIW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)N[C@@H]3COC[C@H]3N(C)C,0E244A231A742FA6_5708EC89EB40625C_6041_UN,8.731045,00000000000000000000000000000000000000000100000000000100010000000100000000100001100101100011010111000100110011010000100011100100010101010110001000001111010111101111110,KYKUXVFUOSKXNE-HZPDHXFCSA-N
+CC3=CC1=C(C=CC(=C1)CNC(C2NCCNC2)=O)[N]3C,0E4F5C15C51346F3_2E76B9AE1250FD53_6038_DP,8.730581,00000000000000000000000000000000000000000000000000000110000000000100000000010001101101100011110111101100110000110000011011100100110100000110001011011111011110101111110,RCMWQJVYTACDGU-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC2=CC3=C(C=C2)COC3,E9B905DB918D1ABA_D18004A4BD200B43_6026_UN,8.730435,00000000000000000000000000000000110000000100000000010001011111001001010011000000010100101001001110000110011001001000010010001100011001011110101010101001110011110111110,FSQKDPZYMKZCDZ-UHFFFAOYSA-N
+COCCN3CC(OC2=CC=C(C1=NC(=CS1)C(C)(C)C)C=C2)C3,19E29F20CF03D566_03AB16323D87D088_6035_UN,8.730108,00000000100100000000000000000000000010000000000100000000000000100110000000110000010101101000010110001000000001011101101011100111110010000110011100011100110111111111110,PJUHHEBRYQLXEM-UHFFFAOYSA-N
+CC(C)(COC1=CC(=CC(=C1)F)C2CCCNC2)C#C,76B2CC9E168949CC_7D370AEA829B1ED3_6035_UN,8.730066,00000000000000000100000000000000000000000010000000000000000000100010000000100000001000110011000000101000100101011101001001000011110000100110000101010101110101101111110,IUFUWCZYTQEIEQ-UHFFFAOYSA-N
+CC1=C(N=C(N1CC3CCC2(CCOCC2)CN3)C4CCCN4)C5=CC=CC=C5,3ACA82A4F75C13BC_C6E0161E7F1ABEC8_6034_UN,8.729943,00000000000000000000000000000000000000100000000000000000010000100110000000010101001101100011000010101000110001011000101011100100110110000110001011011011010111101111110,HTFAZAOEYPYBNQ-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)C=CC(=N2)NCC4=C(OC)C=C3OCOC3=C4)[N](=O)=O,A1775CD566565FCE_077273C5932076C1_6041_UN,8.729808,00000000000000000000000010001000000000100000000001000000110000010100001110000101001100000100011011101110010011000100000111111111001001010110101111101111110111111111110,JYHYBQVIQMRJQH-UHFFFAOYSA-N
+CCOCCN3CC(OC1=C(C=CC=C1Cl)N2CCNCC2)C3,2E47A0C531ADF9DA_D5802826CD756F35_6035_UN,8.729762,00000000100100000000000000000000000000000000000000000000000000100000000000010001001001110001000100101001100111010110101011100011110011110110001111011011110111111111110,QDJIMOPBFKYFJQ-UHFFFAOYSA-N
+FC2=C1C=CC=NC1=CC=C2NC4=C(N3CCN(C)CC3)C=CC(=C4)F,D0B1B9AF3939DEC7_8FF92AEB1FE1B0A1_6041_UN,8.729542,00000000000000000000000000000000000000000010000000000000000000100100000000010001000001110001010000101100010100010001101011100100110001110110001011011011010010101111010,RDUUFZREVABICH-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NCC2(COC)CNC2)CCC#N,C473061808D64663_C3D3CB0266C4E2FF_6041_DP,8.729371,00000000100100000000000000000000000000000110000000000100000000000010000000000000101000110011010001001000000111011001001001000010100101110110001010010011010111101111110,UUDPWAHGAUXXTB-UHFFFAOYSA-N
+CC1NCC(C(C1)OC3=CC=C(CNCC2N(CC)CCC2)C=C3)C,83FCFDB464BB7A8F_8EC400920C869535_6035_UN,8.729126,00000000000000000000000000000000000000000000000000000000000000000000000000010001001101100011000011101000100010010111101011100011110110000110011101011111110111101111110,SJTSKFNDRVOLAD-UHFFFAOYSA-N
+NC1=C(C3=C(N1CC(C)(C)C2CCNCC2)C=CC=C3)C#N,C3C8D2380B0AA33F_5058432148662E21_6034_UN,8.728965,00000000000000000000000000000000000000100100000000000000000000000110000000110100101111100011000010101100110010011001101011100100110101010110001011011111010110101111010,YVNFJQJUJLJOMT-UHFFFAOYSA-N
+N1CC3(C1)CC(OCC2=CC=C(CC(C)C)C=C2)CO3,49218578A655E0B1_E51436C49B131A66_6039_DP,8.728818,00000000100100000000000000000000000000000000000000000000010000000010000010100000001100100111000110001000010001001001000011000011110010000110000100000101110101111111110,DMNQHRJFNJMUPW-UHFFFAOYSA-N
+O(C1C2CCC1C3CNCC23)C4=CC(=C(C=C4)C(F)(F)F)C#N,1C66E92F4B38BDB9_3E2563050A383A03_6035_UN,8.728741,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100100001000010001100011100001100001001000011110000100110001111010011110001100111110,AKODMFWXCCHWMA-UHFFFAOYSA-N
+O=[N](=O)C1=CC3=C(C(=C1)NCC2OCCN(C)C2)C=N[NH]3,403E461B3A868ECD_E4D1978E10874BDB_6041_UN,8.728718,00000000000000000000000010000000000000000000000001001100110000010100011100010000101101100011011110101110010011010001101111101100111111010110001001111001110111111111110,UDMAUMDWGADAEU-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CC=N2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,BE7F95CB322AE893_99A8C0C179DD9179_6041_UN,8.728271,00000000000000000000000000000000000000100010000000000000000000100100000000010101101001110000000000101100010110010010101011100100110001110110001001011001010110101111010,SIZIXCHEECQHFM-UHFFFAOYSA-N
+O(C1(CNC1)C2=C(C=CC=C2F)F)C3=C(C)C=C(C=C3)C#N,0D13634F8435F1D8_F17A748AE27B1A6C_6035_UN,8.727701,00000000100100000000000000000000000000000110000000000000000000100010000000000000001000110010000100001000000100001100000001000111000010100110001111000011110001101111110,BDUAHLCCJRGUEC-UHFFFAOYSA-N
+C[N]1N=CC2=C1N=C(C(=C2)C#N)NC(C)(C)C3=CC4=C(C=C3)OCCO4,30FE7B54DF3B4C42_7DD9D9072CA48419_6041_UN,8.727658,00000000000000000000000000000000000000100100000000001000010000000110000010110101100100000000011010100100010001001100001011101100000011010110011011011111110011111111110,KXHFEHYRBLQQCG-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)NCCC2=CC=C(OCCCC)C=C2)[N](=O)=O,0E7B4E20837348C0_A0793D766C539EF1_6041_UN,8.727623,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000000001000001010100001010111101100101111001011010010001101111101110111111111110,QJJVVNFPXXIDJL-UHFFFAOYSA-N
+O(CC2=CC1=C(C=CC(=C1)F)[NH]2)C3=C(C=C(OC)C=C3)[N](=O)=O,1300471A7CF52697_ACACC8936174727E_6035_UN,8.7274275,00000000000000000000000010000000000000000010000001000000100000010100001100000000000100010100011111000110110101010100000101101111001001110100101111101011110111111111110,AAXXGJAIVKEUTN-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)OCC[C@H]2OC4=C3N=CC=CC3=C(CN(CC)CC)C=C4,A2C1F0DD97004FE9_9F5A89877E2594FB_6035_UN,8.726926,00000000000000000000000000000000000000000000000000000000010000000100000000000000000001100100010100101100010001000110101011100111000010000110011111111100110111111111110,WSIPWGFGLOKWJY-JOCHJYFZSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)NC2=C(CCOC)C=CC=C2,EFCAC12D6E370C84_FD95CDC46F8DEE83_6041_UN,8.726679,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000100011011100100010000001000001101101101110001011010100001011111111010111111111110,BQKRWWDGIKUBGN-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C=CN=C2NCCC3=CN=C(N(C)C)C=C3,C21C6F764512EB0B_A4528C921B0A1CBE_6041_UN,8.726621,00000000000000000000000010000000000000100000000001000000100000010100001100100100001001100000011000101110110000010000001111101100001001010100001001011101010110111111110,GHULAJDWXQUMKY-UHFFFAOYSA-N
+CCOC(OCC)C1=CC=C(C=C1)COC2=CC(=C(C)C=C2C3CNCC3)Cl,5D49C5E7AD8F235D_30B462086CC144E9_6035_UN,8.726208,00000000000000000000000000000000000000000000000000000000000000100000000000000000001100110011000010001001100101010110001001010111110000100110010111110111110101111111110,GCNFCZRLRCPNND-UHFFFAOYSA-N
+N2CCC1=C(C=CC=C1)C2CNC(=O)C3=CC(=C(C=C3)F)C#N,D522C952EC83FA24_B0BBD356FC19A0B2_6038_DP,8.726136,00000000000000000000000000000000000000000110000000000010000000000000000000000001001000010001100000101100110100110000011001000100110100100110001011010011011110100111110,YGTSRBQPWLBYOD-UHFFFAOYSA-N
+O(C1(CNCC1)C(F)F)C2=C(C=C(C=C2)C(F)(F)F)C#N,13A06F94E5F1A69D_6E84B08575038A01_6035_UN,8.725756,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100100011000111001000101100011100001001000011010010100110001110010011110001100111110,JTWBEQRNUHHOPM-UHFFFAOYSA-N
+CCCC1=CC=C(C=C1)NC2=CC(=C(OC)C=C2[N](=O)=O)F,52A75054D74F5989_534DE1C7CA4B454B_6041_UN,8.725651,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010000011001000010000100000111001100101111001001110000001111111111100111111111110,RMVXRNKIQGCOEA-UHFFFAOYSA-N
+N(C2=C1OCCCC1=CC(=C2)F)C(=O)C4=CC3=CC=N[N]3C=C4,3F39649D9EB2E6B7_C5DB69CD65F09F9B_6038_UN,8.725647,00000000000000000000000000000000000000000010000000001000010000000100000000000000100100010001101110100100010101100100011011101100100011110100001011011001111011110111110,PCKXZYMNVNTUFB-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=C(C=C(SCC)C=C2)C,010B21191E4F536A_97DAB98B89CB6B95_6035_UN,8.725544,00000000000000000000000000000000000000000010000000000000000100001000000000010000010101101000000111001000001100011110001001100011110010100110000110011110110101101111110,HRASNMQTNTWSKC-LBPRGKRZSA-N
+CCC(C)OC1=C(N=CC=N1)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,B80BD7E43FED379D_CF4CEAA15B49A84E_6041_UN,8.725543,00000000000000000000000000000000000000100010000000000000000000100100000000010101100101110011110110101000100110110111111011100111000011110100011111011111110111101111110,GRBHRYPMLAVUPV-CLFRDCOVSA-N
+CC(C)(C)[C@H]1C[C@H](CNC1)COC2=CC=C(C=C2)CCC3CCNCC3,8334FD5BD24A184B_8CD951E861D9ED5E_6035_UN,8.724994,00000000000000000000000000000000000000000000000000000000000000000010000000100000001000100011000001101000100001011100101011000011110100000110011101010101110101101111110,KQXCYOGMTJTRPC-RTWAWAEBSA-N
+CC2=C1C(=C[N](C1=CC=C2)CC3CNCC(C3)(C)C)CC#N,B1B77A899F13800D_A729602F1199A797_6034_DP,8.724938,00000000000000000000000000000000000000000100000000000000000000000110000000110000101101100010000010101100010010011001000011100100100000000110011001001101010110101111010,HHRYDIRVJNISHY-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)[S](=O)(=O)NC4=CC=CC(=C4N(C)C)Cl,A659CBC547CA54F3_2394BCA8B986D4A4_6026_UN,8.724797,00000000000000000000000000000000110000000000000000010001001111001001010001110001010101111000111010000111011100101000010001101101001001111100011111101111001010111111110,HTGUNPZAIKXRLH-UHFFFAOYSA-N
+CCOC(CN3CCC(OC2=CC1=C(C=C(N)C=C1)C=C2)C3)OCC,37A45E2D9351ED85_718066D00587F13B_6035_UN,8.724502,00000000000000000000000000000000000000000000000000000000000000000000000000010000000111100000000111001100010011010110001001110111110011010110001101111101110111111111110,PDLNXQKBIYPEQC-UHFFFAOYSA-N
+N(CC1=CC=C(C=C1)N2CCOCC2)[S](C3=CC=CC4=C3C=C(C)C=C4)(=O)=O,A59F47523FC5AFD5_C72BEB1CDD1A46E1_6029_UN,8.724451,00000000000000000000000000000000110000000000000000010001011111101001010001010000011001101000001100101110011001011000011011101100111011011110001001111001010111111111110,OKAIMHMOJFSRAH-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)CCC#N)C(C2=CC=CC3=C2OCCNC3)=O,400943B3450338C5_851A233DF790375F_6038_DP,8.724164,00000000000000000001000000000000000000000100000000000000010000000000000000000000001000100100100101001100110001110100011011000100110111010110001011010001111111110111110,RUEUFHAKKXZSSH-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C3=C2CNCC3)CC[C@H]4CNCC4,1149A50E9673E878_C226A1ADDB37E9D5_6034_UN,8.724015,00000000000000000000000000000000000000000000000000000000000000000100000000010000101101100011000010101100110000010000001011100100110100000110001011011001010110101111010,RTRAXXJEPHXVSS-AWEZNQCLSA-N
+CC[N]1C=NC2=C1C=C(C=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,15C0FFC8BCBC6D65_7E22F06AD9114CB4_6041_UN,8.723942,00000000000000000000100000000010000000000000000000000000000000000100000000110101100101100000010010001110010001001010100011101110000001010110011001001101010111101111110,JDINBXTXDQBPLM-UHFFFAOYSA-N
+CCC1=CC2=C(C=C1)CN(CC2)[S](C4=CN=C(C3(CNC3)C#N)C=C4)(=O)=O,B335A0EF2EFB7DFA_90D4E1066C875E46_6029_DP,8.72357,00000000100100000000000000000000110000000100000000010001001111101111000001010000111000101010001001101110011000011010011011101100111000001110001011011001010110111111110,QDTOIZVMADDNRM-UHFFFAOYSA-N
+CC2=C1C(=CN(C1=CC=C2)CC3CNCC(C)C3)CC#N,8146E4D1B4BC9C78_9EBFFA97087DAFE5_6034_UN,8.723502,00000000000000000000000000000000000000000100000000000000000000000100000000010000101101100010000010101100010010010001000011100100100000000110001001001101010110101111010,AHBXENMLVNBHGK-UHFFFAOYSA-N
+COC2=C1N=C(C=CC1=CC=C2)NC3=C(N(C)C)C=CC=C3[S](=O)(=O)N(C)C,21951CC465F362B8_993287C62161472F_6041_UN,8.723351,00000000000000000000000000000000110000100000000000010001001111001101000001100101110001101000011101100110011000001100010001101111001001011100011111101111100011111111110,RBJOTXRGYKRQNY-UHFFFAOYSA-N
+C[N]1N=C(C=C1NCC2=CC=C(C=C2)C3=CC4=C(C=C3)OCC4)C(C)(C)C,35BE049384D0844B_CDD639B852999509_6041_UN,8.723257,00000000000000000000000000000000000000100000000000001000010000100110000000110101101100000000011010001100010011001100001011101100000011010110011011011111110111101111110,QSKCAOQHRBYFLI-UHFFFAOYSA-N
+CC2=C(C=C1OCCC(C1=C2)=O)NC3=C(N(C)C)C=NC=C3,69045ED99DF98623_8F5E4F590848BE5F_6041_UN,8.723094,00000000000000000000000000000000000000000000000000000000010000000100000000100001100001100100010001100100010001000100001011100101000011010100011111011111111011111111110,RNWRNPILQHVITO-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NC2=C(CC)C=CC=C2C,9499C6EF3F2203FB_4355D89C3F1DB0E6_6041_UN,8.722892,00000000000000000000000000000001000000000010000000010001001111001001000001000000010000001010000000000010001110001010000000001100001001111000010011001111000110111111110,WNCIBHYLPKWESK-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CCN2[S](C3=CC=CC4=C3C=C(C)C=C4)(=O)=O,CEC1EADDA3E255DA_9D3549A62D52992C_6029_UN,8.722701,00000000000000000000000000000000110000000000000000010001001111001001000001010000010100001000011011001110011000011100011001101111001000011100000111111100110011111111110,OIIHOYXXFSLREB-UHFFFAOYSA-N
+CCC5CCC1=C(C4=C(N1CC2=N[N](C)C3=C2CCNC3)C=CC(=C4)C)C5,A3959E17D8C6267E_6868D6F339D70E92_6034_UN,8.722459,00000000000000000000000000000000000000000000000000001000000000000100000000010001101101100001011010101100110010010010101011101100110000000110011011011101010110101111010,MRVQQUFHEGPVFJ-UHFFFAOYSA-N
+O=[N](=O)C2=C1[NH]N=CC1=C(C=C2)NC4=C(C(OC)=O)C=C3OCCCOC3=C4,67CBA30CA340C1D8_FBD9EDBC4140E9F6_6041_UN,8.722401,00000000000000000001000010000000000000000000000001001100110000010100011110000001100100000100011011000110010001000100001111111110001111011110101011111011111011111111110,IFJXATBARROYSU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC3=C(C)C=C(C=C3)SC#N,A7636D744A83DEF6_0C30B786B55B0395_6041_UN,8.721882,00000000000000000000001000000000000000000100000100000000000100101010000000000000010000001000000000000000000000001000000000000100000001010000001011010011000010101111010,KYBNHAXRPDXTKH-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=CC=C(C=C1)C2=CCNCC2)C[C@H]3OC4=CC=CC=C4,695E700338BE1484_46C29037332BC507_6035_UN,8.721248,00000000000100000000000000000000000000000000000000100000000000100010000000101000001000100101000000111000100000011100101001000111110010000110000101010111110001111111110,JOPSSROREBCQGA-YADHBBJMSA-N
+N2CCC(OCC1=C(N(C)C)C=CC=C1)(CC2)C(Cl)(Cl)Cl,F2F3DB7A7E7F150A_7BF1D3B5366B9C6A_6039_DP,8.720351,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100001010001101001101111011000001001100011110011110110001111011111110111101111110,MZNADJSZDDULBF-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)OCC2(CCNC2)C(F)(F)F)OC,C6A733358C0C8EE2_5CDF80B8E055CB0C_7022_DP,8.719969,00000000000000000000000000000000000000000010000000000000000000000010000010000000001100100111010011001000101101011100001001000011110000100110000110110111110101111111110,SOJZHWWZHKWWTK-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)N[C@H](C)C3CCNCC3,79F307A74B6D30E0_2741F31DD5A6D52A_7022_DP,8.7196865,00000000000000000000000000000000000000000010000000001000000000000100000000010000101100110011001010101000100110010000101011101100110101110110001011011011010110101111010,PRRFHPQCSJPEAW-CYBMUJFWSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)N4C3=C(C=C(N(C)C)C=C3)CC4,C68E895AD2DEC198_122F6DCBE5F01E18_6026_UN,8.71968,00000000000000000000000000000000110000000000000000010001001111001101000001110000010101101000011010001110011000011000011011101100001001011100001011011101010010111111110,ITTRPWZQLQWUHR-UHFFFAOYSA-N
+FC2=C1C=NC=CC1=CC=C2NCCC3=CC(=C(OC)C=C3)[N](=O)=O,C393F61649922A98_283BCF1C5F8C6012_6041_UN,8.719665,00000000000000000000000010000000000000000010000001000000100000010100001100000000001000010100011100101110110100010100001101101111001001110100001111111011110111111111110,DGMJOOYHSQBCMI-UHFFFAOYSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)C2=C(OC)C=CC(=C2)CSC,D0718DB52E0E2C92_C3BC1C3A5F3664BF_6004_UN,8.7195835,00000000000000000000000010000000000000100000000001000000100000110100001100000100000000101000011100100010000000000101000101101111001001010100011111101110110111111111110,IXEDCKILLOJXPM-UHFFFAOYSA-N
+NC2=C1C=CC(N(C1=CC=C2)CCCN3CCNCC3)=O,8A699A728629840C_90AAB2D5310AAFE9_6034_UN,8.719373,00000000000000000000000000000000000000000000000000000000000000000100000000010001101011100001100000101100110000110100011011100101110101010110001111011011011110100111110,GZUWFISKLAJDLR-UHFFFAOYSA-N
+FC2=C1[NH]C=CC1=CC(=C2)NCCCC3=NC4=C([N]3C)C=CC(=C4)F,F149018536E86166_ABE88A2207A47C44_6041_UN,8.719266,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101010010010010001100110110010000101011100100000101110100001011011011010110101111010,QGULXVVCPBHXOZ-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)C2=CC(=C(C=C2)C(F)(F)F)C#N,2BF319623DED0407_7D997CD8535E9114_6035_UN,8.719079,00000000000000000000000000000000000000000110000000000000000000000000000000010000000101100000000111001000001100011100001001100011110010100110001110011010110101100111110,WDEUOIXUTUDNDY-NSHDSACASA-N
+N5CC1=C(C=CC=C1)OC2(CCN(CC2)[S](C4=C3C=CN=C(C3=CC=C4)C#N)(=O)=O)C5,D95057B81AA53880_8EB6570D5E2C56F0_6029_DP,8.718979,00000000000000000001000000000000110000000100000000010001011111001111000001010001011000101011001101101110011000011100011011101100111010001110001011111001110011110111110,BMMPGOWYSUPCCE-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)C2=CN=C(N2CC3(C)CCC=C3)C4CCNCC4)F,9A3FB34CF4E45BCE_BDB255146465DC0D_6034_UN,8.718694,00000000000000000000000000000000000000100010000000000000000000100110000000010101001101110001000010111000100110011001101011100100110000100110001011011011010110101111010,CCJIXWZWFHSJQK-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)NCC(C2CCNCC2)(C)C)CC#N,5E6308A9191E5C8D_AB12E6968DC7439E_6041_DP,8.718529,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100011000000101000100010011001101001000000110101010110011011010111010110101111010,PEXHEPVJNVFSTN-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC(=C1)F)CCNC2)CC3=CC=C(C=C3)S,BB3FED232DB85553_049D1A36AA8E6FE1_6031_UN,8.718236,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000111001000000101100110101010000001001010110110100100110000011010001011101110111110,ANDBNZJETOQCGR-UHFFFAOYSA-N
+ClCC1=CC=C(C=C1)C2=C(C=C(OC)C=C2)CN(C)C,19E81E844A9268F4_00F0D79DBEB9AA74_6005_UN,8.718174,00000000000000000000000000000000000000000000000000000000000000100000000000100000000001100000010000001001000000000101000000100111000000100010010111001110110101101111110,FQKIOALWLYJEAP-UHFFFAOYSA-N
+BrCC1=CC=C(C=C1)C2=C(C=C(OC)C=C2)CN(C)C,A62609991F2DC37F_FCEDAA7B4AF02362_6005_UN,8.718173,00000000000000000000000000000000000000000000001000000000000000100000000000100000000001100000010000001000000000000101000000100111000000100010010111001110110101101111110,OBHOFAWNGRSTLE-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCCCC4=CC=C(OC)C=C4,FC39D416EE42F95D_7F8224D7530BFF76_6026_UN,8.71809,00000000000000000000000000000000110000000000000000010001001111001101010001010000011101001010011010001110111000011100011001101111001000001100001101111101110111111111110,BZPSHPHQKZZVKZ-UHFFFAOYSA-N
+CC(C)(C)C1(CNCC1)OC3=C2C=C(C=CC2=CC=C3)C#N,DD2B187E7B1B512B_5320002457C46BF0_6035_UN,8.717945,00000000000000000000000000000000000000000100000000000000000000000010000000100000001100100011000111001100110010011100101001000111010010000110011101010101110001101111110,OAUJHLACMFPTAA-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)F)N2CCOCC2)[S](C3=CC4=C(C=C3)[NH]N=C4)(=O)=O,6906529009971B45_D3A3F7A8BCE46797_6028_UN,8.717859,00000000000000000000000000000000110000000010000000011001011111101101010001010000110101111000001110101110011101011000011011101100111111111110001011111011010011110111110,XMCFPOZRBIMDIF-UHFFFAOYSA-N
+FC2=C(C=C1C(COC1=C2)=O)NC4=C3C=NC=CC3=C(N(C)C)C=C4,33DC85FEA726C351_BB7EA2B34EE487BF_6041_UN,8.717832,00000000000000000000000000000000000000000010000000000000010000000100000010100000100101110100010010100100010101000100000011100101000011110100001111001111111011111111110,VUWDXBGIXOZHEK-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC(=C(SC)C=C2)C#N,9DB4A839DCA4A177_CEA5356A16FA6892_6041_UN,8.7175865,00000000000000000000000010000000000000000100000001000000100100011000001100000000011000101010011001001010000001000010100100101110101001010010001011101111010111111111110,UEBOBMPQZRUYTI-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC4CCC3(CCCCO3)CC4,65E43D290F41FFCC_9B0D2857FA58432B_6041_UN,8.717251,00000000000000000000000000000000000000000010000000000000010000000110000000000000000000010010000000100100110101011000001011000100110011110100001001010001110011100111110,NLOMDOGJIDJTCI-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)C#N)NCC2=CC3=C(C=C2)C(=O)CC3,EC2D516F40A648DD_68916C090879BFCD_6041_UN,8.716733,00000000000000000000000000000000000000000100000000000000000100001000000000000000111000001000010010001100010000000000001000000101100011010000001111010011111110101111110,XRKFTODCDLSCDZ-UHFFFAOYSA-N
+[NH]1C=C(C2=C1C=CC=C2C#N)N[S](C3=CC(=CC(=C3)C)C)(=O)=O,8BC1764B57ADE156_331D27881E381155_6043_DP,8.716603,00000000000000000000000000000000110000000100000000010111001111001101010001000001110100001000001010000110011000001000010001001100001101011100001001001101000010111111110,FYONPMNNRGYQEY-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3=CC=C(C=C3)C#CCF)C4CCNCC4,AB30EA107DF59F0A_62C09AE34D77722B_6034_UN,8.716214,00000000000000000100000000000000000000000010000000000000000000100100000000010000001101100001000010101100110000010000001011100100110000100110001001011001010110101111010,LSEOQPYHASUVGF-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)OCC2=C(CC)C=CC(=C2)[N](=O)=O)C3,0EED1D8962801E97_88385E41D8879086_6039_DP,8.716117,00000000000000000000000010000000000000000000000001000000100000010000001100000000001100100001001010001110010011000110000101101111011001010110001111101011110111111111110,BKNNYCYRVIJCCI-UHFFFAOYSA-N
+CCC1=CC=C(C=C1)CCOCCC2(CCNCC2)C#N,49C022D2FC5CB258_B72A1F9EDC6152B9_6039_DP,8.716027,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100001000000101000100001011010001001000010110010000110001001010001010101101111110,UXAFTQRBFSSKLZ-UHFFFAOYSA-N
+O(C1(CNCCC1)C2=CC=C(C=C2)Br)C3=C(N)C=C(C(=C3)C(F)(F)F)F,283EB9354A8802C4_3173FC7C46A6DB63_6035_UN,8.715952,00000000000000000000000000000000000000000010001000000000000000100010000000000000001010110011000100101000101100011100001001000111110111110110001111010011110011100111110,JXCRXHCZYOMMRO-UHFFFAOYSA-N
+O(C1(CNCCC1)C2=CC=C(C=C2)Cl)C3=C(N)C=C(C(=C3)C(F)(F)F)F,B1AE9B32D915F1B2_35D86478584C7DF8_6035_UN,8.715928,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010110011000100101001101100011100001001000111110111110110001111010011110011100111110,MGRZTOPSZSCIJC-UHFFFAOYSA-N
+N4CCC1(CC1(COC3=CC2=C(C=C(C)C=C2)C=C3)C#N)CC4,06C87A3DEDE9A5CF_593D4772796684B3_6035_DP,8.715906,00000000000000000000001000000000000000000100000000000000000000000010000000000000001000100001000001101100110001011100001001000111110000000110001101010001110101101111110,YSCVWNOMDHQEQT-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)NC34CC3CCNCC4,753335F2439E2CB2_364E56880F2F1EE4_7022_DP,8.715905,00000000000000000001001000000000000000000010000000001100000000000110000000010000101100110011001010001100110100011000001011101100110101110110001010011011010110100111010,CVCNJFMAROSLAB-UHFFFAOYSA-N
+N2CCC(C(OC1=CC(=CC(=C1C#N)Cl)Cl)C2)C3=CC=C(C=C3)F,53DD91349DE9E4A6_1A5C5D0707F9770C_6003_DP,8.715782,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000110001000101101001100100010100001001000111110010100110001111010011110001100111110,UQUHBKBVOMLJGG-UHFFFAOYSA-N
+OC(=O)CC2C[N]1C(=CN=C1CC2)NC4=CC3=C(C=C[N]3C)C=C4,49FA452159A7CC1E_1B7BA0F4FD3E5042_6041_UN,8.715755,00000000000000000000000000000000000000100000000000000000000000000100000000010101100101000011010010101100110000010000001011110100110111010101001011011001011111111111110,BAPAMXNFKPQFJD-UHFFFAOYSA-N
+O=[N](=O)C2=CC(=C1NCCC1=C2)C3=C(C=C(OCC)C=C3)F,B88CD5627192A50B_2FC284FF1F9DC6B0_6004_UN,8.715692,00000000000000000000000010000000000000000010000001000000100000110000001100000000001100010011001010001110110101010110001101101111001001110110001111111011110111111111110,QOMISFVDOVWAEA-UHFFFAOYSA-N
+O[C@@H](CCl)C1=CC=C(C=C1)NCC(C2CCCN2)(C)C,FE5FEAA76B2C4802_B3CB3693F8BCFA9A_6041_DP,8.715562,00000000000000000000000000000000000000000000000000000100000000000010000000100000101100000011000010001001100010011001101001000000110111110111001000010101110111101111110,WJRKDCODJUIDLZ-MLCCFXAWSA-N
+C2(=C1OCCCOC1=CC(=C2)CC#N)NC3=CN(CCC)C(C=C3)=O,9A144359D826AE3E_A10FCE650474214B_6041_UN,8.715555,00000000000000000001000000000000000000000100000000000000010000000100000010010001000001000101100101101100010001110111011011100101000011010110001111111011111111111111110,BCABRKJRERJLAE-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C4=CC(=C3N=CC=CC3=C4)CBr)(=O)=O,71D5F3A2CE22F3C8_2F67A4607EECBEB3_6029_UN,8.715555,00000000000000000000000000000000110000000100001000010001001111001101010001000001010000001000001000100110011000001000010011001100001001111100001001001001010110110111110,WNJMFJVXWCGFTN-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC2=C[NH]C3=C2C=C(F)C=C3,D5DF847948E4E7F0_D5D451917958F81D_7019_UN,8.71532,00000000000000000000000000000000000000000110000000000000010000000110000000000000000100110000000010110100010101001000001011000100110010100110001001010001010111000111110,UWGMNFHSZXAQAS-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCO2)NC3=CC(=CC(=C3)F)N4CCOCC4,A4513246E7A8A860_9F95009B6871F160_6041_UN,8.715046,00000000000000000000000000001000000000000010000000000000010000100100000010010001100101110000100111101100010101110100011011110100110011110110001011111001110011110111110,STJDZZXZBDORQV-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2CC#N)NC4C3CCCNC3C4(C)C,337D98BF30EE7C20_ABC7434AB832797B_6041_DP,8.715033,00000000000100000000000000000000000000000100000000000100000000000110000000100000101100000011000010101100110010011000001011000100100101010100001001010111010110101111010,JVXCEURGSGFXCB-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3)C(=O)N(C)C,D3BFA9F42B2D6C43_91467E4B9A92CD44_6026_UN,8.714972,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101100111001000110011000101100010000101111001001011000111111101111101011111111110,JRQDCZDSPFYMEB-UHFFFAOYSA-N
+CC1CCC2=C1N=C(C(=C2)C#N)NCC3=CC=C(C(C)(C)C)S3,270C213E6694B504_CCA7A1F77DB2ECA1_6041_UN,8.714701,00000000000000000000000000000000000010100100000000000000000000000110000000100100111100001000000010101100010010001001101011000100000001010100011010010111010110101111010,GRDFWHXIYIZCDY-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN(C)C)NC(=O)C2=N[N](C=C2)CCF,9FF2AE293F990205_C9FE7943D334A9A2_6038_UN,8.7142725,00000000000000000000000000000000000000000010000000001000000000000100000000110001100101100000111111001000000000110101011011101111000001110110011110011111111111111111110,PMNSMEXVMWDIME-UHFFFAOYSA-N
+O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=CC(=CC(=C4)F)C5CCCNC5,16B5B51889E00C73_AFAE0DE23E07FAE3_6035_UN,8.714063,00000000000000000000000000000000000000000010000000000000010000100010000000000000001000110111000010101100110100011100001011000111110010100110000111010001110001110111110,NSYXFNHNKBOULU-KESSSICBSA-N
+CC1=C(N=C(N1CC2CNC3(C2)CCOCC3)C4CCCN4)C5=CC=CC=C5,2BCB2162ADC6FCCA_9269EF196DE2C056_6034_UN,8.713725,00000000000000000000000000000000000000100000000000000000010000100110000000010101101101100011000011101000110001011000101011100100110110000110001011011011010111101111110,JHLXSFQINAARHL-UHFFFAOYSA-N
+N4CC1=C(C=C(C=C1)COC(=O)CCC2=CC3=C(C=C2)OCCO3)C4,F48898D37584934E_E140501BFB3A765F_6038_DP,8.713682,00000000000000000000000000000000000000000000000000000000010000000000000010000000001100100001000010101100010001000100001011010110110010000110100011110001111101110111110,DQVBBZUHRVFTBZ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)SC2=CC=C(C=C2)C#N)NCC3CNCCN3C,E5ECFE7695AF19FE_5221341602CAB7F1_6041_DP,8.713616,00000000000000000000000000000000000000000100000000000100000100001000000000010001111001101011010000101000100000010001101011100100110101010110001001011011010110101111010,UWUQIHOTYJPROQ-UHFFFAOYSA-N
+N#CC=CC1=CN=CN1CC2CC3(CO2)CCNCC3,2F5AF05935C6AE50_EDEA1B4EF537DAF3_6034_UN,8.713231,00000000000000000000000000000000000000000100000000000000010000000110000000010101001101100001000110111000110001011000001011100000110010000110001010011011110111100111110,CXBHIYIJZKSNMJ-UHFFFAOYSA-N
+CC1=NC(=NC(=C1)C#N)NC2=CC=C(CO[Si](C)(C)C)C=C2,8920C1B08FA046BB_5422F076654FE602_6041_UN,8.712841,00000000000000000000100001000010000000000100000000000000000000000100000000100101100000100000010000100010001001001000100011001110000001010100011001001101010111101111110,DTXUJDJFFVTNJZ-UHFFFAOYSA-N
+N3([S](=O)(=O)C1=CC(=CC(=C1)Br)C#N)CCN(C2=NC=C(CN)C=C2)CC3,BD14F15EE2D41ECF_755CC08DBAE51F7E_7017_UN,8.712778,00000000000000000000000000000000110000100100001000010001001111101101000001010101111011111000001000101010001100011000011011101100111001111110001001011001010110110111110,SGRUKUGQVWJPFR-UHFFFAOYSA-N
+O(CC1COC1)CC2=CC(=C3C(=C2)OCO3)C4=C(C)[N](N=C4)C,AA513AF5BC995317_1F677D602A8EF0F8_6039_UN,8.712542,00000000100100000000000000001000000000000000000000001000010000100100000010010000100100100100011010000100010001000100000011111110100000000110101010101110110111111111110,FGHOFPBEFMOZQS-UHFFFAOYSA-N
+C(C(=O)NC1=CC2=C(C=C1)OCC(=O)N2)=CC3=CC=C(SC)O3,9DC14E468FBB25AB_D1C51EF255BE9146_7019_UN,8.71237,00000000000000000000000000000000000000000000000000000100010100001000000010000000110100001001110110110100110001110100010011000101000111011100101111100001111011111111110,CCVSRMJRIRKXKJ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N=C(CC#N)[N]2CC3CC4(CCN3)CC4,A6B43A7ABB6DAFB5_86F41AD235756315_6034_DP,8.711873,00000000000000000000001000000000000000100110000000000000000000000110000000010101101101010001000010101100110100011000001011100100110000100110001011011011010110100111010,LQVGAKYGJFBULT-UHFFFAOYSA-N
+C1CC(CCN1)C3=CC2=C(C=CC=C2)N3C[C@H]4CCC[C@@H](C)N4,947099E681B66DF9_D8BF89E4FD0DCE17_6034_UN,8.71173,00000000000000000000000000000000000000000000000000000000000000100100000000010001001101100011000010101100110010010001101011100100110100000110001011011011010110101111010,SAWIGKQBDFHWKE-CRAIPNDOSA-N
+NC1(CCNCC1)CCOC2=CC(=CC(=C2)F)CCN,C70E798B284335CA_7483F36D83FF466D_6035_UN,8.711635,00000000000000000000000000000000000000000010000000000100000000000010000000000000101010110011000001101000100101011100001001000011110111100110001101010001110111100111110,FCPLOCVAFJBCMQ-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C(=C2)N)CC3CNCC(O3)C(F)(F)F,5A0A9C1497654B33_121ACC3CB86762C7_6034_UN,8.711266,00000000000000000000000000000000000000100010000000000000010000000100000000010100101111100010010110101100011100001100000011100111100111110110001111001011110111111111110,CGMATRWVJSAHFT-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC3=C(C=CC(=C3)N4CCOC4=O)F,A7B013A93412C9D0_436A7DB54DFF6F30_6041_UN,8.711085,00000000000000000000000100000000000000000010000000000000010000100100000000010000100101010000000110101100011101110000011011110101000011110110001111011011011011110111110,OADKPJBACBKYPO-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=C(C=NC=C2)C#N,38353B8B7E14E095_00C8CA659AFA5DAA_7022_UN,8.711081,00000000000000000000000000000000000000000100000000000000000000000100000000000000100000101001010100100000000000000101000001000111000001010100001111000111110111101111110,SKDKQAHUYMVRRZ-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=CC1=CC=C2)N4CC3=C(C=C(C#N)C=C3)CC4,2F683C9B3A3F0BF6_BC79782E142E9996_6026_UN,8.710695,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000101000001000101110011000011000011001101100111000001110001011011000010010110111110,DYTAZUVMMIOYJN-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=NC2=C(OCC)C=CC=C2C=C3,6160D13A760CE9CA_BA07EF95ACF890A2_7022_UN,8.710576,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000000001001100100110010001000110000101101111001001010110101111101111110111111111110,HUABTWPZXHPXCW-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)SC=C2[S](=O)(=O)NCCC3=CC=C(N(C)C)C=C3,E5A8077DF06B9BD9_360CCE0011A15ACC_6026_UN,8.710464,00000000000000000000000000000000110010000010000000010001001111001001010001100000011101111000011010001110111100011000011000101100001001111100001001011101010110111111110,NFXKPICHOUQKMY-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)SC=C2[S](=O)(=O)NCCC3=CC=C(N(C)C)C=C3,4E0A5E2BEC4B6BB8_6483A06D04D05A1C_6026_UN,8.710451,00000000000000000000000000000000110010000000000000010001001111001001010001100000011101111000011010001111111100011000011000101100001001111100001001011101010110111111110,STJNSWURUWDKPD-UHFFFAOYSA-N
+CN(C)CC(OC1=CC=C(C=C1)CCC2CCNCC2)CC3(CCC3)C#N,3CA456B9A5C2972D_D75733C692D51BA3_6035_UN,8.710268,00000000000100000000000000000000000000000100000000000000000000000010000000100000001001100001010100101000100010011101001001100011110010000110001101011101110101101111110,JCFOWZHQDQKTBT-UHFFFAOYSA-N
+COCC3(OC2=C([N](=O)=O)C1=C(N=CC=C1)C=C2)CNC3,4E290BF467492042_01D15412DF45350C_6003_DP,8.710198,00000000100100000000000010000000000000000000000001000000100000010110001110000000101000100110011101101110010011001101000111101111101011010110101111101011110111111111110,DWMCMYRHVIIRSJ-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC(=C2)Br)COC4=CC3=C(C(C)(C)CCC3(C)C)C=C4,509553EEC4656900_34B7FC7472EC97BD_6035_UN,8.710174,00000000000000000000000000000000000000100000001000000000000000000110000000110101000101010000010110000100010101011101101011100111000000100100011111011110110111101111110,ADGWOHBDXLZYOL-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC(=C2)Cl)COC4=CC3=C(C(C)(C)CCC3(C)C)C=C4,8CDD981DA9D55444_CA82BCE9BEA26485_6035_UN,8.710168,00000000000000000000000000000000000000100000000000000000000000000110000000110101000101010000010110000101010101011101101011100111000000100100011111011110110111101111110,ZZRSBOPKIXNRKF-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=CC=N2)N4CCOC(C3=CC=CC(=C3)C#N)C4,96EE5D01ECF6BDCF_2C26BF937CA3FA58_6026_UN,8.710132,00000000000000000000000000000000110000100100000000010001011111101101000001010100110100101000001111101110011001011000011011101100111010001110001001111001110011110111110,QEOWUCZVHGKILW-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC[C@]34C[C@H]3CCC4)C5CCNCC5,028A8D08BEF1C91E_D659C1B278F02648_6034_UN,8.710067,00000000000000000000001000000000000000000010000000000000000000100110000000010000001101110001000010101100110100011000001011100100110000100110001001011001010110100111010,JDMARWAMNNHTES-IIBYNOLFSA-N
+[NH]1C=C(C2=C1C=CC=C2C#N)NCC34COC(C)(C3)CCC4,2F28E993AD25E9CC_F800F95F5573DAF1_6041_DP,8.709732,00000000000000000001000000000000000000000100000000000110010000000110000000000001101100000011000011001100010011001001101011000100110111010110001001010001110111101111110,WKFQJCSDDJCCPK-UHFFFAOYSA-N
+CN4C=CC1=C(C=CC=C1NC(C2=CC=C3[N]2CCNC3)=O)C4=O,BC5BE45C786D06D5_BA6EB6D8CB1A7F74_6038_DP,8.709718,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101100001110110101100110000110100011011100101110101011110001111011011011010111111110,PYBGHCJELPREIY-UHFFFAOYSA-N
+O(C1(CNCCC1)C(F)(F)F)C3=CC=C([N]2C(=C(C)C(=C2N)C#N)C)C=C3,9DEA11B02DC47C19_A39A7802B3B391D0_6035_UN,8.709253,00000000000000000000000000000000000000100110000000000000000000100110000000010100101111100011000110101000101100011100001011100111110111110110001111011111110011101111110,OBVOAODVGDEFRC-UHFFFAOYSA-N
+N3CCC(OCC1=CC=C(C=C1)C2=CC=CC=C2)(CC3)C#C,EBC0D179D0DA91B9_A1CEE9039792E273_6039_DP,8.709021,00000000000000000100000000000000000000000000000000000000000000100010000000000000001000100001000001101000100001011000001001000111110010000110000101010001110101100111110,WGWLQLJABOUQFQ-UHFFFAOYSA-N
+CC2=C1N=C[N](C1=CC(=C2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F)C,63DFEB301B08C009_50B3CEFED28DDDB0_6041_UN,8.708931,00000000000000000000000000000000000000000010000000000000000000100100000000010101100101110011010010001100110110010001101011100100000001110100011011011111010010101111010,DHZOBWSPQQZIAB-XLIONFOSSA-N
+FC2=C1N=C(N(C1=CC=C2)CC3=CC4=C(C=C3)C=CC(=C4)CC#N)C5CCNCC5,3CFE959262EEC680_B3A41D719383EAEA_6034_UN,8.70876,00000000000000000000000000000000000000100110000000000000000000100100000000010101001101110001000010101100110100010000001011100100110000100110001011011011010110100111010,PYZVAMTUODOGJN-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC(C)(C)CC#N,633DB91A77F6FC6F_C1FD3C6F92ABEC42_6034_UN,8.708562,00000000000000000000000000000000000000000100000000000000000000100110000000110000101101100011000010001100110000011001001011100100110000000110001010011111010110101111010,DJVJZGQNYFMSQN-UHFFFAOYSA-N
+C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=C(N)N=CC=C1Br)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,95FA52E96CEE313F_722AC8651F21A482_6035_UN,8.708281,00000000000000000000000000100000000000100000001000100000000000100110000000001100000010010000000110110100010110001101101011000111110011110100001111010111100011101111110,OEPAMYQGJYIEDN-FLQCZVMJSA-N
+CC2=C1C=C[NH]C1=C(C=C2)NC3=CC=C(C=C3)CN4C(=O)CCCC4=O,02E7915FCFDC7741_B9CC1310B1AB618C_6041_UN,8.708275,00000000000000000000000000000000000000000000000000000010000000000100000000010001000101000100100010101100010000110000011011100101110111011100001101011011011110111111110,PFNWABODFAPVCR-UHFFFAOYSA-N
+N2C[C@H]1CN(C[C@H]1C2)C3=NC(=CN=C3)NC4=CC(=C(N(C)C)C(=C4)F)F,F3D8CEA9D086AE14_EF41D1BBF977C9C6_6041_DP,8.707633,00000000000000000000000000000000000000100010000000000000000000100100000000110101101101110011010010101100010100000000000011100100110101110110001011001111010010101111010,OCNULDDRSLAEAZ-TXEJJXNPSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=C(C)C=C(C3=C2C=CC=C3)N,6ABA8E482D3A9011_DD494446B82D93E0_6035_UN,8.70759,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010000011000001101100111111011100001001000111110101110110001111010011110111101111110,LIFCLRUQCHNQCP-SJCJKPOMSA-N
+CC3(C)CCCC(C)(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)C3,D9E5EFF28482E397_4CF62B26D2468337_6035_UN,8.707023,00000000000000000000000000000000000000000000000000000000000000000010000000110001001001110001000000101001100110011101101011100011110010100110011111011111110101101111110,XOWWWGVAYWMZQO-UHFFFAOYSA-N
+CCCC3(COCC1=C(F)C=CC2=C1N=CC=C2)CCCN3C,390B0D3CCC59D4C4_11C012071ADC7146_6039_UN,8.70679,00000000000000000000000000000000000000000010000000000000000000000110000000010000000101110000010111101100010111011011101011100110110000100110001011011110010111101111110,MIMVPICRGLSENH-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NC2=C(C(=CC=C2)C#N)F)C#N,7A445126C28A7145_886BCEE75C3964FD_6041_UN,8.706451,00000000000000000000000000001000000000000110000000000000000000000000000000000000100000110000010000000000000101000101000000010111000001110000001111000011110111111111110,PMDMVBCTFDWCJB-UHFFFAOYSA-N
+CC(OCC=C1CCOCC1)C3=C2OCOC2=CC=C3,AA3809DC6368D3D6_EBC89B33136DAFF9_6039_UN,8.706324,00000000000000000000000000001000000000000000000000100000010000000000000010001000000100100100000010110100010001000100101010010010110010000110100011110000110101011011110,WRLNDLRQNQOZPT-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NCC2=C(C)C=C(C(=C2)F)Br,0CF11CF7EC195482_3BEA37B305A03FCF_7022_UN,8.706282,00000000000000000000000010000000000000000010001001000000100000010000001100000000101000010001001100001010000101000110100100101111001001110010001111101111110111111111110,HKPPXSXTGQWALH-UHFFFAOYSA-N
+C(CCCC1(CCC1)C#N)=CC2=CC3=C(C=C2)C=C[NH]3,CD18F1E7156AA1AD_91D75E76DA745AFA_7019_UN,8.706192,00000000000100000000000000000000000000000100000000000000000000000110000000000000000100000000000010010100010000001000001001000100110000000100001000010001000110000111010,NOVGEFCCCIMGDI-UHFFFAOYSA-N
+O(CC1=CC2=C(C=C1)[NH]C=C2)C3=CC=C([S](C)(=O)=O)C=C3,F0FE65DD9C102F31_91C7627764381465_6035_UN,8.706125,00000000000000000000000000000000000000000000000000010001001111001101000001000000010100001000010010000110010001001100000001001111001000001100000101101001110111011111110,MWUMYOYQERYKLV-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NCCC2=CC(=NC=C2)C)F,5AFC69DB8C0E6CF5_5366DE760F9B1445_6041_UN,8.70593,00000000000000000000000010000000000000000010000001000000100000010100001100000001001000010000001001101010100110010000001101101100001001110100001011011111010110111111110,YBTWMKPUHKTGHE-UHFFFAOYSA-N
+N2CCC(C)(COCC1=CC=C(C=C1)OCC#N)CC2,4710D5E63E6E0E42_938039D5F8E1BAD3_6039_DP,8.705593,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100001000100101000100011011101101001000011110000000110001101010001110101111111110,BKHMELFYVHZFEA-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC2NCC3(C2)CCSCC3)C=CC=C4)C5=CCNCC5,3BB0C7308CB97A12_D03163BB436C13B9_6034_UN,8.705111,00000000000000000000000000000000000010000000000000100000000000100110000000011001001101101011000010111100110010011000101011100100110100000110001011011011010110101111010,HGJVOARSEUTVFE-UHFFFAOYSA-N
+COCOC1=C(C=CC(=C1)Br)[S](=O)(=O)NC2=C(N(C)C)C=CN=C2,799492F0CC883119_A32EE901BAB396F5_6026_UN,8.705093,00000000000000000000000000001000110000000000001000010001001111001101010001100001110001111100011001100010001101001101010001111111001001111100111111101111110111111111110,FVVMUJRUPPVUOQ-UHFFFAOYSA-N
+CC2=C1C=CC=NC1=C(C=C2)NC3=CC(=CC(=C3)F)[N](=O)=O,2C92DDCC513F7F26_4B608E2BE5660344_6041_UN,8.704593,00000000000000000000000010000000000000000010000001000000100000010100001100000001100000010000001000100110010100000000000101101100001001110100001001001001000010111111110,ICEPLVWMRSDFNS-UHFFFAOYSA-N
+O(C(=O)C1(CC#C)CCCC1)C[C@@H]2CCCN[C@@H]2C(F)(F)F,11B13F04D045F62C_546763D94EEB9E0A_6031_UN,8.704001,00000000000000000100000000000000000000000010000000000000000000000010000000000000001000000011000011101000101101011000001001010010110000100110000000010011011111110101110,MCDSHUYIWXWHTO-STQMWFEESA-N
+N(C1=CC2=C(C=C1)SCCC2)C(=O)C(=CC3=CN=C[NH]3)F,6015EBC74357DE5E_748395A1313D330D_6038_UN,8.703949,00000000000000000000000000000000000010000010000000000000000100000100000000001101010100001001100010110100010100100000011011000100100101110100001011010001011010100111110,TWIPYPVUKOLDDW-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C3(OCCC2CCCNC2)CCNCC3,7DCD5648FBE65A20_90CEFAD64EA7FBB0_6039_DP,8.70394,00000000000000000000000000000000000000000000000000000000000000100010000000000000001000100011000001101000100011011000001011000011110110000110001111010011110101101111110,RLQZSRRCOQKRTD-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)C3=CC(=O)OC4=C3C=CC=C4)C5=CCNCC5)F,539914D8ACC6D18B_C28B7BDFB4853693_6034_UN,8.703867,00000000000000000000000000000000000000000010000000100000010000100100000000011000001101110001000011111100110100010100001011110101110001110110001111011011111010110111110,QVUROYIFXXHIFP-UHFFFAOYSA-N
+BrC2=C1C=C(N(C1=CC=C2)CC3(C)CCCN(CCC#C)C3)I,B5C2BAACB9A1044B_E96C46DBABCDDE87_6034_UN,8.703532,00000000000000000100000000010000000000000000001000000000000000000110000000010000100101110000000010101100010110011001101011100100110000100110001011011010010110101111010,HBDOXMIRADDOTC-UHFFFAOYSA-N
+CC3(C)CCC(OC1=CC2=C(C=C1)CNCCO2)CC3,372CBAAF373748BB_2810DC2A096ECCD1_6035_UN,8.702919,00000000000000000001000000000000000000000000000000000000010000000010000000100000001000100100000101001100110001011101101011000011110010000110000111010101110001111111110,BRLBZPXPEPQVJZ-UHFFFAOYSA-N
+CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3=C(N(C)C)C=NC=C3,E491C119354075AD_B5134270355984F2_6026_UN,8.702881,00000000000000000000000000000000110000000000000000010001001111001101010001100001110001101000011000100010001000001100010001101111001001011100011111101111100011111111110,UZMOGRLQQOTKDF-UHFFFAOYSA-N
+CCOC(=O)C1=CC=C(N1CC2N(C)CCNC2)C(F)(F)F,5F270B0430823187_5C4E96D645357904_6034_UN,8.702837,00000000000000000000000000000000000000000010000000000000000000000100000000010001101101100011010110101000101101011011101011110010110000100110001010011111011111111111110,PWVBUAHQVZTEMD-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3=CC=C(C=C3)C#CCF)C4=CCNCC4,0B9A57D8C8CC2D64_262AAA532A2BB2C8_6034_UN,8.70265,00000000000000000100000000000000000000000010000000100000000000100100000000011000001101100001000010111100110000010000001011100100110000100110001001011001010110101111010,RLYFEIUONMKZDX-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)NCCSCC2=C(C=CC=C2)F)C#N,279DD3DB8EC62685_A9FBEEB1E8806390_6041_UN,8.702649,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000111001000000001000100100010000001000000100010001110010001011010011010110101111010,LQRRZLMRNJLDSA-UHFFFAOYSA-N
+O=C(CC#N)C1=CN(C2=C1C=CC=C2)CC3NCC=CC3,0D79C3344DFB315D_352021D03C9FEF21_6034_UN,8.702083,00000000000000000000000000000000000000000100000000000000000000000100000000010001001101000001000011111100110000010000000011100100010010000110001001001001111110100111110,WVGBZPQUOVDXNF-UHFFFAOYSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NC2=CC4=C(C=C2)N=C3CCCN3C4=O,DC88826F3786D481_79388BF49CD8E302_7022_UN,8.7019825,00000000000000000000000010000000000000100000000001000000100000010100001100000101100101000000101111101110010000110100011111101101011001011100001111111001011010110111110,XNCNTDDYXWYNGM-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=C[N]2CCN3CCNCC3)CC#N,4E9A638DC6C602CD_BD4C82CB28498BC9_6034_DP,8.7019,00000000000000000000000000000000000000000100000000000000000000000100000000010001001101100001000010101100110000010000001011100100110000000110001001011001010110101111010,JWNJQBFVFHJSIZ-UHFFFAOYSA-N
+CC(C)(COC1=C(C=CC=C1)CC2CCNCC2)CC#N,05084729769B2867_0A3A960328CA1811_6035_UN,8.70168,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100001000000101000100001011101001001000011110000000110001111010111110101101111110,LOPHHUXPMBOFND-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(C)CCCNC2)C=CC=C3)C4=CCNCC4,8080980FF5313E23_9C26DC2DC574D443_6034_UN,8.701611,00000000000000000000000000000000000000000000000000100000000000100110000000011000101101100011000010111100110010011001101011100100110100000110001011011111010110101111010,PDSMTJFFCZQCEU-UHFFFAOYSA-N
+N1CCC(C1)[C@@H]2C[C@H]2COCC3=CC=C([Si](C)(C)C)C=C3,07B6CD208C84FBEF_8CF095F7DED208E6_6039_DP,8.701073,00000000000000000000101000000010000000000000000000000000000000100000000000100000001100100011010010001000100001011000001001000010110000000110010000011111010101101111110,BMABZDAZQYNECR-YLGOGADGSA-N
+C1CC(CNC1)C2=CN(C=N2)CC4=C3N=CC=CC3=CC=C4Cl,93C77659254B180C_161B7470E71F4373_6034_UN,8.700991,00000000000000000000000000000000000000000000000000000000000000100100000000010101101101110011000010101101110100010000001011100100110000100110001011011011010110100111010,QFWMYKBVCFEOIB-UHFFFAOYSA-N
+N(CCCC1=CSC=C1)[S](C3=C2C=CC=C(C2=CC=C3)C#N)(=O)=O,63A20DBD538428F8_4CFBBFF7A1096455_6029_UN,8.70091,00000000000000000000000000000000110010000100000000010001001111001001010001000000011100001010001010001110111000011000011000001100001000001100001001011001010110110111110,CDSUEVZPXSMZIF-UHFFFAOYSA-N
+CN[C@@H]2[C@@H](OC1=N[N](C)C(=C1N)C(F)(F)F)CNC3=C2C=CC=C3,4A452A8D8D3BBB56_C46E0865397E1A08_6035_DP,8.700594,00000000000000000000000000000000000000000010000000001100000000000100000000010001101110000010111111101100011110101100010011101111000111110100001111001111110011101111110,WNXDWUIMFGPYAK-JQWIXIFHSA-N
+C1(=C(C=CC(=C1)Cl)Cl)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,77490B64CF3B0747_99643444D7D14CCA_7022_UN,8.700421,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,GNQUVKSMZFIPQA-WBVHZDCISA-N
+C1(=C(C=CC(=C1)Br)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,564BF20EDBFC9BD9_E30C45C3F3737E6C_7022_UN,8.700421,00000000000000000000000000000000000000000010001000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010010101111010,SGAALSCKPRCZKP-WBVHZDCISA-N
+C1(=C(C=CC(=C1)Br)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)Cl)F,E6D1ED01D7113197_A06077BD51504241_7022_UN,8.700414,00000000000000000000000000000000000000000010001000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,CTLOGWSYOPWDDG-WBVHZDCISA-N
+C1(=C(C=CC(=C1)Cl)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)Cl)F,A920EA95476C5BAD_39E3CFF70B0E8565_7022_UN,8.700413,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,DPTHOEYOZYYXKL-WBVHZDCISA-N
+C1(=C(C=CC(=C1)Cl)Cl)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)Cl)F,220940ADB787DF1A_DA08063A75F270E7_7022_UN,8.700404,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,NICKKWVDOAPFFQ-WBVHZDCISA-N
+C1(=C(C=CC(=C1)F)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)Cl)F,C660D61B98A7497E_C5B4C6302A4CC464_7022_UN,8.700399,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,LTBNGJDRSANACD-WBVHZDCISA-N
+C1(=C(C=CC(=C1)Cl)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,A4499CA9C643E1F8_7A8FFD89A92DB948_7022_UN,8.700398,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,OSUXUBLPDAYPOB-WBVHZDCISA-N
+C1(=C(C=CC(=C1)F)F)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,1E51335CF6C1EDE7_86D8F44E886FF849_7022_UN,8.700393,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010010101111010,TZFDRCAWOUAOBC-WBVHZDCISA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC2=NC3=C([N]2C)C=CC=C3F,C3A7984A1A450230_4E649AE5D6E8F2D1_7022_UN,8.70032,00000000000000000000000000001000000000100010000000000000000000000110000000110101101101110001010110001100110111011101101011110111000001110110011111011111110111111111110,GIBQBYMXJQJMMO-UHFFFAOYSA-N
+O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)CCCSCC#N,21648289DCC43335_BB03FC4DF9BCC010_6039_UN,8.700253,00000000000000000000000000000000000000000110000000000000000000100000000000000000000000111000000000000000000101010000001000000110110010100010000011010010010101000111110,RRCMSDGIVXVRLF-UHFFFAOYSA-N
+FC1=C(C(=C(C=C1)F)CC#N)NCCC2CCNCC2,0A0B0905996F11B3_3CE4885DCAB09A11_6041_DP,8.70013,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110011000000101000100100010000001001000000110101110110001011010011010110100111010,WERZZFXFFOODPJ-UHFFFAOYSA-N
+NCCC1=C(C=C(C=C1)[N](=O)=O)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C,5528741B20E8D413_5FFA518F1449ACDD_6004_UN,8.700094,00000000000000000000000010000000000000000000000001000000100000110000001100000000001010010000001000001011100111010100001100101111001001110010001111111011110111111111110,JTRDMCGUVPFBMZ-UHFFFAOYSA-N
+N3CCC(OC1=CC2=C(C=C1)[N](C(=C2C)C)C)(CC#N)CC3,1729D9133996539E_D9FE70CA48E99B21_6035_DP,8.70009,00000000000000000000000000000000000000000100000000000000000000000110000000010000001101100001010011101100110000011100001011100111110010000110011111011111110111101111110,KVCHANDPVSYIOR-UHFFFAOYSA-N
+CC[C@H](OCC1OCCC12CCNCC2)C3=CC(=C(C=C3)C)F,905538A60790DC0D_C64EC0DF1416670F_6039_DP,8.700048,00000000000000000000000000000000000000000010000000000000010000000010000010000000001100110001000010101000110111011010001011000010110010100110000011010111110101111111110,JYXVWJBQEFSISY-ZENAZSQFSA-N
+CSC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(OC)C=C2)SC)Cl,19104A8E2D535A48_63B052BEEC3256C5_6026_UN,8.699967,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000011000011000000011001100001100010000001111001001111000010111101111100011111111110,QRNKBLYESUEUBX-UHFFFAOYSA-N
+BrC1=CN(C(=O)C2=C1C=CS2)C[C@H]3[C@@H](CCNC3)C4=CC=C(C=C4)F,62CE558004CA0731_5251C1774DFC0A56_6034_UN,8.699257,00000000000000000000000000000000000010000010001000000000000000100100000000010000111101111011100010101100110100110100011011100101110000100110001111011011011110100111110,DXWVQTZPWRROJA-ZFWWWQNUSA-N
+C1(=C(C=C(C(=C1)F)C#N)F)N[C@H]3[C@H](C2=C(OC)C=CC=C2Cl)C3,FA70146728EE2FD2_A293C7C30B800DC9_7022_UN,8.698468,00000000000000000000001000000000000000000110000000000000000000100000000000000000000000010010010000000001100100010100000000000111000001110000001111000011100011101111110,CPYUMBUJJUUXCX-QMTHXVAHSA-N
+COC2CNC(C)(COC1=CC(=C(C(=C1)F)C(F)(F)F)F)C2,AF6D6795629ACFE9_A02D0B8BC02A219A_6003_DP,8.698246,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100010011010111001000101111011101100001000011110010100110000110000111110111111111110,YTDBQUGIOBPRBP-UHFFFAOYSA-N
+CC(OCCN1CCNCC1)C2=C(C=CC(=C2)C)OC(F)F,ECD568C16933199E_5278477F183D867E_6039_DP,8.698172,00000000000000000000000000000000000000000010000000000000000000000000000000010001001001100101000100101000101111010100101011100011110010100110001111011111110101111111110,YCQBUFWVBKMACF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC(NC)(C)C)C3=CCNCC3,149960A2531DF995_36A2A3ED67E8BBD1_6034_UN,8.697743,00000000000000000000000000000000000000000010000000100000000000100110000000111001001101110001010010111100110100011001101011100100110100100110011001011101010110101111010,GOODKTBABKTDTO-UHFFFAOYSA-N
+CC2=C1N(C(C=CC1=C(C=C2)Cl)=O)CCNC3=C(OC)C=C(C=C3)[N](=O)=O,848EF45B936F068C_0E767AA7BCB4F5BF_6034_UN,8.69769,00000000000000000000000010000000000000000000000001000000100000010100001100010001001001010000111101101111110110110100011101101111001001111110101111111111111111111111110,JPWXGSBCXUGQQI-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC4CCC3(CCCN3)C4,1746C346F4F83116_2164BA8FD85C3880_7022_DP,8.697638,00000000000000000000000000000000000000000000000000000100000000000010000000000000101100010011000010001101110100011000001001000100110101110100001011010011010010100111010,BBUHBZFVCRVCNT-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC2=CC3=C(N=C2)OCC3,BB700DBAD9387BCB_D2932F41342F1FCA_6026_UN,8.697503,00000000000000000000000000000000110000000100000000010001011111001101010011000001010100001001101110100110011001101100011011001100001011011100101010111001110011110111110,QXVHPLSOTGDUKH-UHFFFAOYSA-N
+FC2=C1C=CN=CC1=C(C=C2)NCCC3CCCN3C,E17EBBBB022D9753_9E0153CE29872604_6041_UN,8.696907,00000000000000000000000000000000000000000010000000000000000000000100000000010000101101110001010010101100110110010001101011100100110001110110001001011011010110101111010,GIJGHLCFTPICSQ-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC2=CN=C(C=C2)N3CCC3,8686E15639F0B13F_A2F8E7F21763A547_7022_UN,8.696798,00000000100100000000000000001000000000100000000000000000000000100110000000110100001001100001010100101000100001011101001011110111000001010110011111011111110111111111110,HSVGLPHQMNHCDB-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C3=NC=CC4=CC=CC(=C34)OC)(=O)=O,1F10C2118F870432_7C5AAF557BFBC398_6029_UN,8.69673,00000000000000000000000000000000110000000100000100010001001111001101010001000001010000001000011101100110011000001100010011001111001001011100001101101001100011111111110,SWHNKQGHPRSVNU-UHFFFAOYSA-N
+CC1=C[NH]C2=C1C=CC(=C2)NCCOC3=CC=C(C=C3)[N](=O)=O,E979B6232AF2E492_94233B6F16B0B87F_6041_UN,8.696518,00000000000000000000000010000000000000000000000001000100100000010100001100000000101100000000001110001110110001010100001101101111001111010110001101111001110111111111110,MRQHZEKHFCLUDM-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)NC2=C(C=CC(=C2C)C)[N](=O)=O)CN=C=O,FD00100EB0596C73_24E05DE78781A4CB_6041_UN,8.696202,00000000000000000000000010000000000000000000000001000000100000010000001100000011000000000001001001001010000000100000110100101100001001011000011011101111011110111111110,GNQQPVYYBMQWBH-UHFFFAOYSA-N
+CC(C)C1C2(CN1)C[C@H]([C@@H](C2)OC3=C(C4=C(C=C3)[NH]C(=C4)C)F)N,1B77DC52778B466E_E9667EE4327B60AE_6035_DP,8.695901,00000000100100000000000000000000000000000010000000000000000000000110000000100000001110010011000110001100110110011100000011000111110111100100011110000111110011101111110,PLBYRWJYLWLXEW-QJSGSYNYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=CC(=C(C=C2C)N)C,1752CB44B7D4570D_284A84F4495796BE_6035_UN,8.695555,00000000000000000000000010000000000000000000000001000000100000010000001100000000001010000000011101001010100011010100001100101111001111010010111111111111110111111111110,HAASNYKLUTYMHN-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OC2=CC1=C(C(=CC(=N1)C)Cl)C=C2)CN3,F108C715EE180E4D_4FCB10DA85D36DD8_6035_DP,8.694949,00000000100100000000000000000000000000000000000000000000000000000100000000000000001000110011010101101101110101010101101011000111110010100110001101010111110111111111110,HGPNCTCIJHFGPT-GDBMZVCRSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NC4=CC=C(OC3=C(OC)C=C(C=C3)C#N)C=C4,C82F765328C052C5_9354CFFBF3DFA0A1_6026_UN,8.694857,00000000000000000000000000000000110000000100000000010001001111001001010011100000010001101000011000000110011000001100010000101111001001011000111111101111100011111111110,KWCFEKMPPZSUTN-UHFFFAOYSA-N
+C(CC1=CN(C2=C1C=CC=C2)CC(COC)C)N3CCNCC3,D1D571B09EB0F186_450FA1C69BE53FCB_6034_UN,8.694717,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101100001010011101100110011010001001011100110110000000110001001011101010111101111110,RITQDKAAZCJEET-UHFFFAOYSA-N
+CN1CCC2=C1C=C(C=C2)C(=O)OCCOCC3=C(C=C(CN)C=C3)F,967E78DC0283B234_CBF2A9662C7BC0E8_6031_UN,8.694451,00000000000000000000000000000000000000000010000000000000000000000000000010010000001111110000010010001100010111010001101001110110010010110110001011111011011111111111110,ILGNSPHAMXMJRN-UHFFFAOYSA-N
+CC2=CC1=C(C(=CC(=C1)Cl)Cl)N2CC3(OCC)CNC3,DAF4526E016A2F64_61020EFB7A9A7AF4_6034_UN,8.694419,00000000100100000000000000000000000000000000000000000000000000000110000000010000101101110011000110001101010111001010100011100111110010100110001110001111110111101111110,AXOSWQICPYAFIR-UHFFFAOYSA-N
+O(CC(CC1=CC=CC=C1)C#N)C2=CC=C(C=C2)C3NCCC3,651BDFFB7EA3DE31_09578559A45214D4_6035_UN,8.694356,00000000000000000000000000000000000000000100000000000000000000100000000000000000001100000011000011001000100001010100001001000111010000000110001101010001110111100111110,CELZWCWBNXYLHB-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2C(CCNC2)C(F)(F)F)C=CC=C3)CC#N,9EF1C3D92506423C_FCA82912D8626984_6034_UN,8.694274,00000000000000000000000000000000000000000110000000000000000000000100000000010000101101100011000010101100111100011000101011100100110000100110001011011011010110101111010,DNWYOKZLTKBHGI-UHFFFAOYSA-N
+CC1(CONC1)OC3=CC=C(CNCC2N(CC)CCC2)C=C3,44FDE5973812F973_31682E32C3F77194_6035_UN,8.6941395,00000000000000000000000010000000000000000000000000000000010000000010010110010001001101100111001111001010100011011111101011101011110110000110001100011111110111111111110,NEZOTUNAAZEUDW-UHFFFAOYSA-N
+C[Si](C)(C)C1=NC(=CS1)NCC2(CCCCC2)C3=CC4=C(C=C3)OCO4,9E1D107D4DB2769A_C9DA625DACEE2DC0_6041_UN,8.6938715,00000000000000000000100000001010000010100000000100000000010000100110000010100100011100101011010010001100011001001100001011010100110001010110011011011101110111111111110,HQUWFYWCIZREIP-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OCCC2)[S](C3=C(C=CC=C3)C4(CC4)C#N)(=O)=O,7D73948EDEEAC84A_BFE713BB61DADE1B_6029_UN,8.693586,00000000000000000000001000000000110000000100000000010001011111101011010001000000010000001001001000100110011001001100011000001100101011011100001011111011110011110111110,RIVBQTRCQSMGTG-UHFFFAOYSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCCC3=CC(=CC=C3)[N](=O)=O,790909EFBA202F0B_20DC94F4F4EAF4F3_6041_UN,8.693556,00000000000000000000000010000000000000000100000001000010100000010100001100000001001100000011001010001110110000010000001101101100001101010100001001011001010110110111110,WSQORWGNBCAQPL-UHFFFAOYSA-N
+CC(C)CC1COCCC1OC2=CC3=C(C=C2)NCCCC3,CEF610F2A6D02E3C_31D2D21DDD88DDCB_6035_UN,8.693201,00000000000000000001000000000000000000000000000000000000010000000000000000100000001000100111000000101100110011010101001011000011110010010110000111010111110111111111110,BORKZSANPPTRJZ-UHFFFAOYSA-N
+N(C2=C1C=C[NH]C1=CC=C2)C(=O)C3=CC(=C(C=C3)F)[S](=O)(=O)N4CCOCC4,DD2EC7E3D52CC7ED_BB05F68BD2809435_6038_UN,8.693128,00000000000000000000000000000000110000000010000000010101011111001101000001010000110100111000101110101110011101111000011011101100111111111110101011111011011011110111110,YYFZFYBESWNTTE-UHFFFAOYSA-N
+IC2=CN(C1=C(CNCC1)C2=O)CCCC4=C3C=CC=CC3=CC=C4,98417558FBFBFC10_0265D4E230042CB0_6034_UN,8.692999,00000000000000000000000000010000000000000000000000000000000000000100000000010000101001110001000001101100110100010100001011100101110000100110001111011011111110100111110,OJDOMMCZQCKTTO-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NCC(OCC)CCN(C)C,858CEDEC9BB042CB_B6D03810DF33823A_6041_UN,8.692957,00000000000000000000000000000000000010000000000000000010000000000100000000100001001101101011010111101100110011010011101011100110110111010110011011011101110111101111110,SCBPUKSWVKPYMV-UHFFFAOYSA-N
+CC1=CC(=CS1)[S](=O)(=O)NC2=C(CN(C)C)C=C(C=C2)C,3BE536E14EBFFB7C_45091C81165BCDF0_6026_UN,8.692826,00000000000000000000000000000000110010000000000000010001001111001001010001100000110101101010011010001010001010001001010000101100001001011100011010001111010110111111110,LYROTTWBMBOWEU-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)[N](=O)=O)NC2=CN=C(C=C2)[N]3C=CN=C3,BA92F1DF9E3281F3_1FC122ACD1AFEB55_6041_UN,8.692825,00000000000000000000000010000000000000100000000001000000100000110100001100010101100101100010011011100010000001000001000111101110001001010100001011101011010111111111110,FDNMOPFDLLYCLI-UHFFFAOYSA-N
+O(CCC1=CC2=C(C=C1)OCC2)C4=CC(=C3C=C(C=CC3=N4)[N](=O)=O)OC,DBBB2398B81C1893_1976D6A90D065629_6035_UN,8.692495,00000000000000000000000010000000000000000000000001000000110000010100001100000000000100000100111011100110010001100100011111101111101011010110101111111000110111111111110,ROPYAQOYJLIHMY-UHFFFAOYSA-N
+C1(=C(C=CC=C1F)Br)NC[C@@H]2CCN(C)[C@H]2C3=CN=CC=C3,F3BB1FAE0D5D70AF_2B1FCF0369FC5CCA_7022_UN,8.692482,00000000000000000000000000000000000000000010001000000000000000100100000000010000101101110011010010101000000110010001101011100100110001110110001011011011010110101111010,PRLDNKISWCKURG-GUYCJALGSA-N
+C1(=C(C=CC=C1F)Cl)NC[C@@H]2CCN(C)[C@H]2C3=CN=CC=C3,C8E7A3341511A612_BA6870B01BC31429_7022_UN,8.69247,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011010010101001000110010001101011100100110001110110001011011011010110101111010,AYBVASCDLHMDMA-GUYCJALGSA-N
+C1(=C(C=CC=C1Cl)Cl)NC[C@@H]2CCN(C)[C@H]2C3=CN=CC=C3,A6850DF2787FB2E2_084C097330E953B4_7022_UN,8.692465,00000000000000000000000000000000000000000000000000000000000000100100000000010000101101110011010010101001000110010001101011100100110001110110001011011011010110101111010,GDIUEVGKYQSOJW-GUYCJALGSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C(OC)C=C(C=C3Cl)C#N,78B6CFE7349FC415_E96D93662EE2BF87_6035_UN,8.692396,00000000000000000000000000000000000000000110000000000000000000000000000010000000001000110001010000101001100100010100001001000111110000100110001111010011110001111111110,JBABJEIBCVQBGU-UHFFFAOYSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C(OC)C=C(C=C3Br)C#N,DA4C3BEF38AB1697_D76B6222EC567840_6035_UN,8.6923895,00000000000000000000000000000000000000000110001000000000000000000000000010000000001000110001010000101000100100010100001001000111110000100110001111010011110001111111110,SSZRJRQWAICBGS-UHFFFAOYSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C(OC)C=C(C=C3Br)C#N,848A07C6ED4DF506_543D1078BC9CB6BE_6035_UN,8.692382,00000000000000000000000000000000000000000100001000000000000000000000000010000000001000110001010000101001100100010100001001000111110000100110001111010011110001111111110,ITOASRAALQWVNZ-UHFFFAOYSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C(OC)C=C(C=C3Cl)C#N,051773F3D4779C01_6A3BE13C7E287179_6035_UN,8.692376,00000000000000000000000000000000000000000100000000000000000000000000000010000000001000110001010000101001100100010100001001000111110000100110001111010011110001111111110,DLBWQVPLESARJS-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC3CCN(C)C34CCCNC4,B821A13092D80136_C9CC4CD436C0D258_6041_DP,8.692341,00000000000000000000000000000000000000000100000000000100000000000110000000010001101101100011010010101100110010011001101011100100110101010110001001011001010010101111010,NFJUMGFXTICNBQ-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)Cl)Br)CN2CCNCC2,5B648B26592395A9_8E20B60E52DCDF34_6035_UN,8.69214,00000000000000000000000000000000000000000000001000000000000000000000000010010001001001110001000101101001100101010110101011100011110010100110001101011001110101111111110,KOIUMRPZEHHLCA-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)F)Cl)CN2CCNCC2,7812F43229177306_4A47C7EB87893DE2_6035_UN,8.692139,00000000000000000000000000000000000000000010000000000000000000000000000010010001001001110001000101101001100101010110101011100011110010100110001101011001110101111111110,QHQLKZAPIRBKCD-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)Cl)Cl)CN2CCNCC2,E1E1390F706FF241_D2C56F3909B0E13E_6035_UN,8.692138,00000000000000000000000000000000000000000000000000000000000000000000000010010001001001110001000101101001100101010110101011100011110010100110001101011001110101111111110,DYYSBOYWBQOFJE-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)F)I)CN2CCNCC2,1B82D8A6C01DDFB8_ACAE17527BB3F8D3_6035_UN,8.692138,00000000000000000000000000010000000000000010000000000000000000000000000010010001001001110001000101101000100101010110101011100011110010100110001101011001110101111111110,DUGURWIDOSIYMZ-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)Br)Br)CN2CCNCC2,E03A371C38B73A72_6AFA4D7574B7D59A_6035_UN,8.692136,00000000000000000000000000000000000000000000001000000000000000000000000010010001001001110001000101101000100101010110101011100011110010100110001101011001110101111111110,AKGZEKFUVGRTJQ-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)F)Br)CN2CCNCC2,7EA0BCA813D8B61F_1CA9BD729A036645_6035_UN,8.692131,00000000000000000000000000000000000000000010001000000000000000000000000010010001001001110001000101101000100101010110101011100011110010100110001101011001110101111111110,JYJQZKRETBGDAE-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)F)F)CN2CCNCC2,01907CB9DC4FBFB2_3F1500207C2FA02D_6035_UN,8.69213,00000000000000000000000000000000000000000010000000000000000000000000000010010001001001110001000101101000100101010110101011100011110010100110001101011001110101111111110,IGICWXWHGXVIPT-UHFFFAOYSA-N
+CCOCC(OC1=CC(=CC(=C1)I)I)CN2CCNCC2,B714698BF0D42D58_C270401AF0DBA16B_6035_UN,8.692126,00000000000000000000000000010000000000000000000000000000000000000000000010010001001001110001000101101000100101010110101011100011110010100110001101011001110101111111110,QTPGAXUTMLPTGT-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C4=C(N2CC3=NOC(=N3)C(C)(C)C)CCNC4,272DF88E24D4BCE7_D2BAE8B15B99C096_6034_UN,8.692073,00000000000000000000000000000000000000100010000000000000010000000110000100110101101101110001101111101110110100111000011011101100110000100110011011011101010110101111110,PWRQKWYHSDOCJG-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C4=C(N2CC3=NOC(=N3)C(C)(C)C)CCNC4,8F8E9F6B6F2979A7_A6A3902111007B90_6034_UN,8.692071,00000000000000000000000000000000000000100000001000000000010000000110000100110101101101110001101111101110110100111000011011101100110000100110011011011101010110101111110,NTQBSVRDTDGBLX-UHFFFAOYSA-N
+C1CCC2=C(C1)N(C3=C2C=CC=N3)CCNC4=CC(=C(C=C4)F)F,7791C40AD54C360B_F86C9058A1249897_6034_UN,8.691811,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101010000000010101100110100010000001011100100110001110110001011011011010110100111010,VOEFDXXSXHBBHC-UHFFFAOYSA-N
+CC1(NCC(C1)(F)F)COC2=CC=C(CCOC)C=C2,FF615F7AAAAFE87B_30478BBCBD386A73_6035_UN,8.69139,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110011010110001000100111011101101001000011110010100110000100010101110111111111110,QYVQTHXISOCBND-UHFFFAOYSA-N
+C2(=C1OC(OC1=CC=C2)(F)F)NC[C@@H]3CNC[C@H]3C4=CN=C[N]4C,AC2618745140622D_FEE8788BEF157573_7022_DP,8.691071,00000000000000000000000000000000000000000010000000000100010000100100000010010101101101110011010111001100011110001100000011110100110101110110001010001011110111111111110,LWLUWMUZVKYNNX-WDEREUQCSA-N
+COCC[N]1C=CC2=C1C=CC(=C2)C(=O)OCCNN,002C732AD2DC8FCA_9037DFE797F734F6_6031_DP,8.69086,00000000000000000000000000000000000000000000000000001000000000000100110000010000001111100010011111001100110001010001101001111110000110000110001000111001011111111111110,ZIEMSNHTXZVXFQ-UHFFFAOYSA-N
+O(C1(CNCCC1)C(F)(F)F)C2=C(C)C=C(C=C2C)CN,5689FC6B236B9101_71F809E8FFD39BD3_6035_UN,8.690163,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010100011000100101000101110011100001001000011110110100110001111010111110101101111110,CVWCYUWTGABXPM-UHFFFAOYSA-N
+C[C@@H](OC1=C(CNC)C=CC=C1Br)CN2CCNCC2,0B69852564E3174F_56BFC96CD278329D_6035_DP,8.689605,00000000000000000000000000000000000000000000001000000000000000000000000000010001001001110001010101101000100110010101001011100011110110100110001111011111110101101111110,QCOPXHOJCNYIDF-GFCCVEGCSA-N
+N(CCOC1=CC2=C(C=C1)CCC2)[S](C3=COC4=C3C=C(C)C=C4)(=O)=O,DE9FBFA6A93DE6F1_DFAD0E3D375B67FE_6029_UN,8.689568,00000000000000000000000000000000110000000000000000010001011111001001010001000000011100001100001111001110111001011100011000001111011010001110100111111001110111111111110,YUNRJLHQSZHRIJ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)SC2=CC=C(C=C2)C#N)NCC3CNCC4(O3)CCC4,18EED7979DB7455A_9D77506288D5D690_6041_DP,8.689511,00000000000100000000000000000000000000000100000000000100010100001010000000000000111000101011000100101000010000001000001011000100110111010110001001010001110111100111110,MKKXBVCAEFBSIX-UHFFFAOYSA-N
+COC2=C1C=NC=CC1=CC=C2NCC3=CC=C([S](C)(=O)=O)C=C3,C2486AD86FA0E9D7_4BD33F6E530D4F41_6041_UN,8.689332,00000000000000000000000000000000000000000000000000010001001111001101000001000000011000001000010101101110010000001100000001001111001001011100001111101111110111111111110,YPZFLMSQVNACIU-UHFFFAOYSA-N
+N3CCC(CC=CC2=C(OC)C=C1CC(OC1=C2)C)(CC3)C#N,5914B50E950E4D07_D912D50708330F9A_7019_DP,8.689086,00000000000000000000000000000000000000000100000000000000010000000010000000000000001100100001010010111100110000011101001011000011110010000110001111010111110101111111110,NHSOCYSXLDVKID-UHFFFAOYSA-N
+C[C@H](OC1=C(C=C2C(=C1)CNCC2)F)C4=CC3=C(C=CC=C3)O4,0313D498BC216248_7B21142D4656095C_6035_UN,8.689018,00000000000000000000000000000000000000000010000000000000010000000000000010000000001100110001000010101100110100010100001011000111110000100110000111010011110001111111110,KUPFZIROENVVAH-LBPRGKRZSA-N
+N3CCC1=C(C(=CC=C1)COC(=O)C2=C(C=CC(=C2)C#N)F)C3,C6D11F0B22D0BA2D_5C9D4BC5A7E1BA2E_6038_DP,8.68876,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101100110101010000001001010110110000100110001011010011011101110111110,LMTGXIRMTKVIDM-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)SC=C2)[S](C3=C(C)C=CC=C3CBr)(=O)=O,880D2DB4C5A149A4_1B58397838ACDF8F_6029_UN,8.688634,00000000000000000000000000000000110010000000001000010001001111001001010001000000011100001001001010001110011010001000010000001100001000101110000011001011010110111111110,WMPYMKKDYNAWFX-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)N=C=O)NC2=C(OC)C=CC(=C2)C[S](=O)(=O)C,5BD1852123CF2FE4_A9065D706EE866B9_6041_UN,8.688605,00000000000000000000000000000000000000000000000000010001001011000001000001000011000000101001010100000010000000101101010100001111001011011000111111101111111111111111110,CSPLPKNLEIRLNR-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CCC4(CC4)C#N,DAB0394D2B8E49DF_D3174D857BE10E1A_6034_UN,8.688538,00000000000000000000001000000000000000000100000000100000000000100110000000011000001101100001000010111100110000011010001011100100110000000110001001011001010110101111010,PIFMPWPBXBKUNW-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CN=CC1=CC=C2NC3=C(OC)C=CC=C3C#N,A696A0013BA748C3_A9FC55FE4CACA765_6041_UN,8.688323,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000000011101100110010000000100000101101111001001010100001111101011100011111111110,CDCMPKNSQRJJMJ-UHFFFAOYSA-N
+C2(=C1C(=C[NH]C1=CC=C2)CC#N)NC3=CC(=C(C=C3)F)N4CCOCC4,7C79768CD6B6F359_AA454BCE85A84B0D_6041_UN,8.6881485,00000000000000000000000000000000000000000110000000000100010000100100000000010000100101110011000110101100010101010000001011100100110111110110001011011011010111100111110,OXCMOBKCIGDDJZ-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)C#N)NC2=C(C=C(C=C2)[N](=O)=O)F)C,3B2F11438794A80F_62F6B1F062C11266_6041_UN,8.687951,00000000000000000000000010000000000000000110000001000000100000010000001100000000100000010000001000000010000100000000000100101100001001110000001011001111000010111111110,ARNBYELTNZQVFW-UHFFFAOYSA-N
+CN(C)C1=CC4=C(C=C1)C=C(NC(=O)C2=CC3=C(C=C2)OCOC3)C=C4,009C6D7CCF4F8122_2ABBBACE509F0334_6038_UN,8.6878605,00000000000000000000000000001000000000000000000000000000010000000000000000100000000001100100110000100100010001100100010010110100100001010110001011101101111011111111110,NTXQXGUPXCEYJS-UHFFFAOYSA-N
+C[N]1C2=C(C=C1)C=CC(=C2)NC(C3=CC=C4[N]3CCNC4)=O,071523FF5502437B_C3B471B9DD51732C_6038_DP,8.687727,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100001110110101100110000110000011011100100110101010110001011011001011010101111110,DJVBEXUPBQRMQL-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=N2)N4C3=C(C=C(N(C)C)C=C3)CCC4,54A3F1482CD40EBE_3A4424FEF9C1C58C_6026_UN,8.68738,00000000000000000000000000000000110000000000000000010001001111001101000001110000010001101000011000101110011000011000011011101100101001011100001011011100010010111111110,YBQHPGXQLGRYHN-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)SC(=S)N2CC3(CCNCC3)C(F)(F)F,C2B244F2FEB7BA34_2CB4BD51498BB5B7_6034_UN,8.686653,00000000000000000000000000000000000010000010000100000000000100001110000001010000111111101001000010101100111100011000001011100100110101110110001011011011010110100111010,LPMZCUPLDZAXAV-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C2CC2)NC3=CC(=C([S](C)(=O)=O)C=C3)F,DCEE9F5EBD0BA29F_614979BBABD5943F_6041_UN,8.686291,00000000000000000000001000000000000000000010000000010001001111101001000001000000010000011001010001000010000100001100000000001111001001111000000111111111100011111111110,WIAQVDKSIWBNLC-UHFFFAOYSA-N
+COC1=CC(=C(N=C1)C)NCC2=C(N(CCOC)C)C=CC=C2,EC6B75889C4FB5A8_B39981F1E17B13A9_6041_UN,8.68591,00000000000000000000000000000000000000000000000000000000000000000100000000000001101001100000010101101000000011010101101001100111100011010110011111011111110111111111110,JBZJJOOYNOQSAN-UHFFFAOYSA-N
+FC1=CC3=C(C=C1)N(C2=C(CNCC2)C3=O)C[C@@H]4CNCC[C@@H]4C5=CC=CC=C5,7A9E5D6297FE3AC2_11027C37F092A46D_6034_UN,8.685866,00000000000000000000000000000000000000000010000000000000000000100100000000010000101001110011000001101100110100010100001011100101110100100110001111011011111110100111110,AWRMMFGNFWFBLJ-PKOBYXMFSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=C(C)C=C(C=C3N)Cl,44E8CD1B7048F0DE_02AF427CA4E02BC2_6035_UN,8.685838,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110110011000111001001100100011100001001000111010111110110001111010011110011101111110,GBMWDEQORYMNBP-UHFFFAOYSA-N
+N2CC(OC1=C(C=CC(=C1)C#N)Br)(C2)C3=C(N=CC=C3)F,97B224814797FA55_2486A1426AD626C3_6035_DP,8.685127,00000000100100000000000000000000000000000110001000000000000000100110000000000000001000110010000101101000000100001100000011000111000010100110001111000011110011100111110,IUALAJZZIKOMTA-UHFFFAOYSA-N
+N2CC(OC1=C(C=CC(=C1)C#N)F)(C2)C3=C(N=CC=C3)F,DD9EE6FBC6A30697_12530DC33C6D1D95_6035_DP,8.68512,00000000100100000000000000000000000000000110000000000000000000100110000000000000001000110010000101101000000100001100000011000111000010100110001111000011110011100111110,SDORMFSPTQKSTC-UHFFFAOYSA-N
+N2CC(OC1=C(C=CC(=C1)C#N)I)(C2)C3=C(N=CC=C3)F,ABBC71C315112A3C_154AC7D35B229C98_6035_DP,8.685111,00000000100100000000000000010000000000000110000000000000000000100110000000000000001000110010000101101000000100001100000011000111000010100110001111000011110011100111110,MOHXNRCRXQFXKS-UHFFFAOYSA-N
+C2(=NC=C1C(CCC1=C2)=O)NC3=CC(=CC(=C3)F)N(C)C,80C9CE238920B742_303C2A7AFDF10567_6041_UN,8.684681,00000000000000000000000000000000000000100010000000000000000000000100000000100100100001110001010011100100010100000000001001100101000011110100001111011101101010101111110,AOHJRIBVFQZQQQ-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=CC(=NC2=C1C=CC(=C2F)F)C)C[C@H]3C4=CN=CC=C4,C3710B7699EFEE29_7A4B0DD8EBD118AD_6035_UN,8.684631,00000000000100000000000000000000000000000010000000000000000000100110000000100000000000010000000001100100010100001100100011000111000010100100011111000110100011001111110,FLWLOPPAYIGDTD-YJBOKZPZSA-N
+N(CC1=CC2=C(C=C1)CCOC2)[S](C3=C(C)C=CC=C3C#N)(=O)=O,CFB09516B7644EF7_08677C8CDAA3E5F5_6028_UN,8.684483,00000000000000000000000000000000110000000100000000010001011111001001010001000000011000101000001000101110011001001000011000001100111010001110001011111011010111111111110,PZJLJCYXYWBVKV-UHFFFAOYSA-N
+CC1=C(N=C([N]1CC2OCCNC2)C3CCCN3)C4=CC=CC=C4,2F2AACFE5498A007_B8FC16B5BCA181B2_6034_DP,8.684148,00000000000000000000000000000000000000100000000000000000010000100100000000010101101101100011000110101000100001010000101011100100110110000110001011011011110111101111110,CJDMGALKKVMOSP-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)NCC2(COC)CNC2)C3(CC3)C#N,482FA280AF4FCC28_7357CFA30240B41C_6041_DP,8.683985,00000000100100000000001000000000000000000110000000000100000000100010000000000000101000110010010001001000000111001001000001000010100101110110001000010001010111101111110,SRGLATQYAPOBBX-UHFFFAOYSA-N
+FC(F)C2=NC1=C(C=CC=C1Cl)N2C[C@@H]3C[C@H](C(C)(C)C)CNC3,BFABF61533D3A7B6_82DEE4FDFC90970A_6034_UN,8.683916,00000000000000000000000000000000000000100010000000000000000000000110000000110101101101110010000010101101010100001000100011100100100000100110011011001111010110101111010,XCUXWWFAXOGEAR-NEPJUHHUSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NC2=C(OCC)C=CC(=C2)OC,6FD3D8DEFE9256ED_4F2738545A31D897_7022_UN,8.683876,00000000000000000000000000000000000000000100000000000000000000000000000000000000000000010001010101000001000101000110000000000111000001110000001111000111110111111111110,DWWKYFRLQBHOKO-UHFFFAOYSA-N
+C[C@H](OCCCC1(CCOCC1)C#N)C2=C(C=C(C=C2)F)C,78D6C41A3120953D_E06258C3DAE19665_6039_UN,8.683292,00000000000000000000000000000000000000000110000000000000010000000010000000000000000000110000000000100000000111001000101000000010110010100110000011010110110101011111110,XKNUIAVOGNOKOF-HNNXBMFYSA-N
+CC1=C(C(=CC=C1)NCC2=C(OCCOC)N=CC=C2)CC#N,5B6F3CE22B12791D_F0D32EF39DA39528_6041_UN,8.682703,00000000000000000000000000000000000000000100000000000000000000000100000010000000101000100010110001101000000001110101111001000111100011010110001111010111010111111111110,BWLWIDFXPBKJOO-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=C[N](C3=C2C=CC=C3)C[C@@H]4CNCC[C@H]4N,DD994F18F61D6E4F_62FB8564B1B8BCA9_6034_DP,8.6826935,00000000000000000000000000000000000000000010000000000100000000100110000000010000101111100011000010101100111100011000001011100100110101100110001001011011010110100111010,WUOCZERHKIZMSK-NHSXVPOTSA-N
+BrCC1=CC(=O)N(C2=C1C=CC=C2)CC3(CCNC3)C4=CC=CC=C4,C0FDF18420177C2A_4BA721B42A194D3B_6034_UN,8.682311,00000000000000000000000000000000000000000000001000000000000000100110000000010000101101100011100010101100110000111100011011100101110000100110001111011011011110100111110,JVLDYFWWCVYQQS-UHFFFAOYSA-N
+CC(OCCC1CCN(C)CC1)CCC2=CC3=C(C=C2)OCO3,4AFF4969CFDF3EED_9109C4C54D8FF1FB_6039_UN,8.681946,00000000000000000000000000001000000000000000000000000000010000000000000010010000000101100000010010101100010011010101101011110010110010000110000011111100110101111111110,OJIUROJCOJEOSN-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=CSC(=N2)C4=CC3=C(C=CC=C3)O4,E1EC421836B8DC97_18CA18D76D88E5D2_7022_UN,8.681604,00000000000000000000000000001000000010000000000100000000010000100110000000100001011100101001010110001100010001011101000011010111000001010110011111100111110111111111110,MQTPVJWZTTWYHW-UHFFFAOYSA-N
+FC2=C(C=C1N=CC=NC1=C2)N[C@@H]3CCN(CC)[C@H]3C4=CC(=C(C(=C4)F)F)F,0872E46AF30061B6_8BF7190C7B2B7E1C_6041_UN,8.681587,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011000010101100110110010010101011100100110001110110001011011011010110101111010,DZCISSBRJASGJN-QRWLVFNGSA-N
+CCCCC1=NC(=C(C=C1)NC(=O)C2=CC=C([NH]2)[N](=O)=O)C,AC491C3A890733BA_DAAF81008AC49589_6038_UN,8.681505,00000000000000000000000010000000000000100000000001000010100000010100001100000101000100000000101110100010000010110011111111101100001101011100001010111111001110111111110,MRMJKTZRKZLFGH-UHFFFAOYSA-N
+O(C1(CNC1)C2=CC(=CC(=C2)F)F)C3=CC(=C(OC)C=C3)C#N,5AE1DB71031068F4_03BAA9AF6B8251ED_6035_UN,8.681036,00000000100100000000000000000000000000000110000000000000000000100010000000000000001000110010010101001000000100001100000001000111000010100110001111000011110001111111110,JMEMTTZRUWRNJW-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)[NH]C=C2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3F,107B516D733D0673_0E1BAD6AC7794A4B_6041_UN,8.680873,00000000000000000000000000000000110000000010000000010101001111001101000001100000111100111000011110001110011100001100010001101111001101111100011111101111110111111111110,BNNDDDOFCXGNMD-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[S](=O)(=O)N3C2=C(C=C(C#N)C=C2)CCC3)C,5D3C6104FA19349C_A54D10F86CB68687_6026_UN,8.68077,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000001000011000101110011000011100011001101111101000011100011111111110110011111111110,SXXGFIITGBMFSX-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCCNCCC,4D246DA5E6D639EF_3F78C1DB8774C7DB_6026_DP,8.680519,00000000000000000000000000000000110000000000000000010011001111001101010001010001011101101001011010001110111010011011011001101100111100001110001001011101010110111111110,CLEKPECHPGTPSW-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=CN(C2=O)CCCN3CCNCC3,0220C24337ED996E_6A23991300D6E97A_6034_UN,8.67998,00000000000000000000000000000000000000000010000000000000000000000100000000010001101001110001100000101100110100110100011011100101110000100110001111011011011110100111110,SFZVWUZPCAODAS-UHFFFAOYSA-N
+COCCC4(COC1=CC2=C(C=C1)OCCNC2)CC3OC3C4,BB67DE06ED8644FE_F4E1351937A4E963_6035_UN,8.679948,00000000000000001001001000000000000000000000000000000000010000000010000000000000001000100000010111101100110001011101101011000011110010000110100111110001110101111111110,DFJLNLCYVQAJRO-UHFFFAOYSA-N
+CN1CCOC2=C1C=C(C=C2)COC3=CC=C([N](=O)=O)C4=C3C=NC=C4,859E04459A279A8F_4E37F74FCE53DEF3_6003_UN,8.679652,00000000000000000000000010000000000000000000000001000000110000010100001100010000000001100000011101101110010001010101101111101111001011010110101111111000110111111111110,UKOIVQZNSSAMDO-UHFFFAOYSA-N
+COC1=CC3=C(C=C1)C=C(COC2=C(C=C(C(=C2)[S](N)(=O)=O)[N](=O)=O)F)C=C3,B3CF376A2307D875_8545A033FCA2FB03_6003_UN,8.679581,00000000000000000000000010000000110000000010000001010001101111011001011101000000110010011000011001000110011101001100010100101111001001111000101111101011110111111111110,GORSVJPWYSOJRR-UHFFFAOYSA-N
+CC(C)(C)[Si](C)(C)OC5(C1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4)CC5,B60C14AEA40D475B_B69C1636760CC9D8_2201_UN,8.6792965,00000000000000000000101000000010000010000000000000000000010000100110000000100000010100101000010111100110010010001000000011001111000010000100010111011110100011011111110,TWMYMQZRRBPOTL-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2)F)C(=O)C4=C3C=NC=CC3=C(C=C4)F,7476B629E46CF2F6_671F356A04BAC952_6038_UN,8.678865,00000000000000000000000000000000000000000010000000000000010000000100000000000000000000010010100001100100110101110100011011000100000011100100001011010001111011110111110,VHFGBQSGEIZOBC-QGZVFWFLSA-N
+COC1=C(C=C(C=C1)NC3=CC=C(N2CCNCC2)C=C3)[N](=O)=O,8CC2893F180880AA_7997185B58C53B89_6041_DP,8.678721,00000000000000000000000010000000000000000000000001000000100000110000001100010001101001100101011100101010100000010100001111101111111101010110001111111011110011111111110,OPBOKPBSAGOTAG-UHFFFAOYSA-N
+COCC1=C(C=N[N]1C)NCC2=CC=CC(=C2)CSC,8072AA38DDFF543E_92418A9BD7CC6F39_6041_UN,8.678424,00000000000000000000000000000000000000000000000000001000000000000100000000010001101100101010011111001000000001010001100011101110100001010110011010001111010111101111110,IHYOFHFARMBPOK-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC3=C(C2=CC=C(N(C)C)C=C2)C=CN=C3,48E128A9A82D8B00_C380A15F3D62F369_6026_UN,8.678384,00000000000000000000000000000000110000000000000000010001001111101101010001100001010001101000011000100010001001001001010001101110001001011100011011101111010111111111110,QAJHDCHZENTRDI-UHFFFAOYSA-N
+N3CCCC(C=CC1=C[N](C)C2=C1C=C(C=C2)F)(C3)C#N,7716396DCCE9F7A2_38B26C14D0A14CFF_7019_DP,8.678339,00000000000000000000000000000000000000000110000000000000000000000110000000010000101101110011010010111100110100011000001011100100110000100110001001011001010010101111010,LEIOCMPRPWLQQE-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(SC)C=C2)C#N,008D571701AEED63_FA09F79ECA8EDB6E_6041_UN,8.678332,00000000000000000000000010000000000000000100000001000000100100011000001100000001011000001000011001001010000000000100000100101111001001010000001111101111110111111111110,TYGNPFHTSCCERC-UHFFFAOYSA-N
+C1NCCN(C1)C2=C3C(=CC=C2)N(C=N3)C[C@H]4COC(=O)N4,F6D67958AD11F0FB_D0108C73BAF5B591_6034_UN,8.678271,00000000000000000000000100000000000000000000000000000000010000100100000000010101101101100011000111101100111001110000011011110101110101010110001101011001011111110111110,RTBDBBAOBDILSC-NSHDSACASA-N
+C[Si](C)(C)C#CC3(OC2=CC1=CC=CC(=C1N=C2)C)CCOCC3,6A36A9B590967917_8E450DDF92A3DADB_6035_UN,8.677952,00000000000000000100100000000010000000000000000000000000010000000110000000100000000000100100010100100100010001001100001011000111110010000110010101011100110011011111110,DGJXXNWKSVLZEG-UHFFFAOYSA-N
+CCC1=C(C=CC(=C1)[S](=O)(=O)NC2=CC(=C(OC)C=C2)SC)Br,3AF1A19B12AB023F_716C21F5EEEE5544_6026_UN,8.677814,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000011000011000000010001100001110010000001111001001111000010111101111100111111111110,ISSJGSFHVJLCDP-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C2(CCNCC2)OC3=CC=C(C(=C3N)F)Br,CDC3EAFE71625F96_659BF07CE67F49F3_6035_UN,8.677608,00000000000000000000000000000000000000000010001000000000000000100010000000000000001010110001000101101000100110011100001001000111110111110110001111010011110011101111110,SHLPKQQTQHHQHK-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C2(CCNCC2)OC3=CC=C(C(=C3N)F)Cl,858B23E9301C9CC4_ED5600E40675FC9A_6035_UN,8.677598,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010110001000101101001100110011100001001000111110111110110001111010011110011101111110,AOEFHGUAURTSEH-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=CC(=C(C=C3)Cl)[N](=O)=O,95C5C4F3D08967E1_959196B0F2E756D1_6031_UN,8.677545,00000000000000000001000010000000000000000000000001000000100000010000001100000000001000110000001000001111110101010000001101111110111001111110101011111011011111110111110,REVOITMXCWIPEM-UHFFFAOYSA-N
+O(C(=O)CC1C2=C(NC1)C=CC(=C2)C#N)CC(CN)N,608842DF8FCAF7CE_1014BAD769E94F69_6031_DP,8.677498,00000000000000000000000000000000000000000100000000000010000000000000000000000001001110000011000111001100110001010000000001010010010110010110001010000001011111110111110,FOGNAYQWUHZNJO-UHFFFAOYSA-N
+CC(C)(OC1=CC(=CC=C1)CN2CCNCC2)C3CCC(C)(O3)C=C,487AE3CCFA535A6C_369E74723C60767D_6035_UN,8.677202,00000000000000000000000000000000001000000000000000000000010000000010000010110001001101100001000010111000100010011101101011100011110010000110011101011101110101111111110,ABIUZNZGGHMVSM-UHFFFAOYSA-N
+CC(OCCSC1=CC(=C(C)C=C1)C)CN2CCNCC2,7D032347DFF031A6_F70504A2A9CB5E7A_6039_DP,8.67708,00000000000000000000000000000000000000000000000000000000000100001000000000010001011001101001000100101000100011010001101011100010110010000110011011011111110101101111110,FZCTYRASWAZHIK-UHFFFAOYSA-N
+CO[C@H]1O[C@@H](CNC1)COC2=CC=C(CNCC)C=C2,A23ADA485765BE85_4FF07FA29939B7F5_6035_UN,8.676886,00000000000000000000000000000000000000000000000000000000010000000000000010000000001000100010010101101000000001000110100011010011100110000110001101100101110101111111110,OSUNEDHJZNLLGD-GJZGRUSLSA-N
+COC2=C(C=C1C=C(N=CC1=C2)NCCN(OC)C)F,8857257E3D9992C4_C14C303F6BAB6409_6041_UN,8.676859,00000000000001000000000010000000000000100010000000000000000000000100000100000101001000110000011001101110110110010101101001101111000011110110011111011111110111111111110,ZPVHHMLMWJVIFB-UHFFFAOYSA-N
+ClC1=CC2=C(C(=C1)Cl)C=CC(=O)N2CC3(CCNC3)C4=CC(=CC=C4)F,7033012A4BB5554E_EB8FFD5F39DE0A5D_6034_UN,8.676379,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011100010101101110100111100011011100101110000100110001111011011011110100111110,CBHNMENKGNDGKM-UHFFFAOYSA-N
+COCOC1=CC(=CC(=C1)F)NCC2=C(OC)C=CC=C2,22526C993CE33561_2A13C02B9ED4E547_6041_UN,8.676158,00000000000000000000000000001000000000000010000000000000000000000000000000000000001000110000010001001000000111000101000000010111000001110010000111100111110111111111110,RKFWAOMOBDRIAT-UHFFFAOYSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4=C(CC)C=CC=C4F,EF3388B4813920F7_9788DA6A1AC190BB_6034_UN,8.675767,00000000000000000000000000000000000000000010000000000000000000100100000000010000001101110011000010101100110110010010001011100100110000100110001011011011010110101111010,HRYTVXFQIFJJFP-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNC2)CCC(OC)CN,42529C3D8663EDFE_D27D53DFDA535A7E_6031_UN,8.6751,00000000000000000000000000000000000000000000000000000000000000000000000000000000001010100111010100101100110011010000101001010010110110000110001011110001111101111111110,JBNDDKOSQIWAID-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC=C(CCN(C)C)C=C2)C,C9426794D3DDEB68_C6D0E84BD3D59520_6026_UN,8.67499,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101000011000001010001000011101111000101111001001011000011111111111110111111111110,NBZPZXYJDGCWIF-UHFFFAOYSA-N
+CSC1=CC(=C(C=C1)NC2=CC=C(SCCCOC)C=C2)C#N,6B0A6C9B2F2272A4_6DF523C9497913BE_6041_UN,8.674904,00000000000000000000000000000000000000000100000000000000000100001000000000000000110000101000010000000000000011000001101000000110000011010010001011010111010111101111110,OJRYNINYUPYDIR-UHFFFAOYSA-N
+CC3(O)CCCN(CCC#CC1=CC=C(C=C1)C2CCCN2)C3,8FEF1EA0BECC2A68_3084FD53665326FD_2267_UN,8.674258,00000000000000000100000000000000000000000000000000000000000000100010000000010000001101100011000110101000100010011001101011100001110110000111001101011001110111101111110,NXPLZUSDEHVJQL-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=CC(=C(SC)C=C3)Br,9E2926654BCBF706_F01953DE814F9302_7022_UN,8.674025,00000000000000000000001000000000000000000100001000000000000100101000000000000000010000011000010000000000000100000000000000000100000001110000001011010011000010101111010,VUONKZAKHBJFGO-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=CC(=C(SC)C=C3)Cl,5FF1402B9D63C5CC_4358742D362C91D4_7022_UN,8.674016,00000000000000000000001000000000000000000100000000000000000100101000000000000000010000011000010000000001000100000000000000000100000001110000001011010011000010101111010,WDAZHJYWKMDXNR-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=CC(=C(SC)C=C3)F,E58977F20804D44B_82B90E8893B6B293_7022_UN,8.674015,00000000000000000000001000000000000000000110000000000000000100101000000000000000010000011000010000000000000100000000000000000100000001110000001011010011000010101111010,AAWXULRZKUYROA-UHFFFAOYSA-N
+O=[N](=O)C1=CN=C(N=C1)NC3=CC2=C(C(N(C)C)CC2)C=C3,F468A0A959D1805E_B7A8CC20050F5ADB_6041_UN,8.673975,00000000000000000000000011000000000000000000000001000000100000010100001100100101100001100001011011100110011010010000101111101100001001010100001011011101000010111111110,QXKLRRUJRRBURK-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)Br)[S](=O)(=O)NC2=C(CC)C=CC=C2OC,856C0118C0B0B250_ACB9089DF1CF11E8_6026_UN,8.673904,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011110011101000010001100001110010000001111001001111000110111101111100111111111110,LLDVKLGINKXVTR-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)F)[S](=O)(=O)NC2=C(CC)C=CC=C2OC,0411FF6ABE0C1878_6976378DD791F6BA_6026_UN,8.673889,00000000000000000000000000000000110000000010000000010001001111001001010001000000010000011110011101000010001100001110010000001111001001111000110111101111100111111111110,GKGOGTKBAMBUJY-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)F)[S](=O)(=O)NC2=C(CC)C=CC=C2OC,D1C2AB08FCF78878_B93FEC644463433B_6026_UN,8.6738825,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011110011101000010001100001110010000001111001001111000110111101111100111111111110,FFXSDRKTGMFXNJ-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)F)C2CC2)[S](C3=CC(=CC(=C3)C#N)SC)(=O)=O,D037D5A91CEF164E_3CD554BA3F87B88D_6029_UN,8.673831,00000000000000000000001000000000110000000110000000010001001111101001010001000000010000011000011000000010001100001000010000001100001001111000001011011011000010111111110,DGORGONFXZDCLL-UHFFFAOYSA-N
+C[N]1C(=CC2=C1C=CN=C2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,926F72C201DD3509_07074CE863D58747_6041_UN,8.673577,00000000000000000000000000000000000000100010000000000000010000100100000000010100100101110000010110101100010101010000001011100100110011110110001011011011010011101111110,UWYJNNJYKYVKBR-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NCC3CC4(CN3)CCC4,EE90661BE066B126_1344D6CF0D4CB5C5_7022_DP,8.673392,00000000000100000000000000000000000000000000000000000010000000000010000000000001001100010011000010001101110100011000001001000100110101110110001011010011010110100111010,OLQSGOIVBYEOLJ-UHFFFAOYSA-N
+COCC2(COCCSC1=CC=C(F)C=C1)CCNC2,BF1820B02CE82C7E_A623B56C97648985_6039_DP,8.673296,00000000000000000000000000000000000000000010000000000000000100001010000000000000011100111111010011001000100111011001001001000010110010100110000000010001010101111111110,UODRJSDOJZTQLU-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)C=CN2C[C@]34CNC[C@H]3CN(C)CC4,CAA60D0E850FBBA8_EBD48C508C040BDD_6034_UN,8.673176,00000000000000000000000000000000000000000100000000000000000000000110000000010000101101100011010010101100010010011001101011100100110000000110001001011001010110101111010,GAUWSYMVZANEDO-WMZOPIPTSA-N
+BrCC1=CC(=O)N(C2=C1C=CC=C2)CC3=C(C=CC=C3)C4CCNCC4,93F803644F2D4D65_A033ED5595E7A409_6034_UN,8.673101,00000000000000000000000000000000000000000000001000000000000000100100000000010000001001100001100000101100110000110100011011100101110000100110001111011011011110100111110,AEKCDORGYRUHSJ-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)[N](=O)=O)NC3=CC2=C([N](CCC)C=C2)C=C3,1E0937CC239E537C_44840F73492D0186_6041_UN,8.672829,00000000000000000000000010000000000000000000000001000000100000010100001100010001000101000000011111001110010000010111001101101111001001010100001111111111110111111111110,DONIUGLMWLGUAX-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COCC2)C(C3=C(SC)C=C(C=C3)F)=O,209AB65996C62AFA_712AD7932F6D4BD2_6038_UN,8.672737,00000000000000000000000000000000000000000010000000000000010100001000000000000000010000111001110000100100010101100000011000000100110011110110000011010011011011111111110,HURAOPZKSLUHAU-UHFFFAOYSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)Cl)C3=C(C=CC=C3Br)CC#N,2C3051260BBC5BF9_158CC6E134D11ED8_6035_UN,8.672282,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000110001000000101001100100010100001001000111110000100110001111010011110101100111110,FDHYJHDUIOTDQI-UHFFFAOYSA-N
+O(C(C1CCNCC1)C2=CC=C(C=C2)F)C3=C(C=CC=C3Br)CC#N,6D3FE55C121E1786_96DAB4BB641BD026_6035_UN,8.672261,00000000000000000000000000000000000000000110001000000000000000000000000000000000001000110001000000101000100100010100001001000111110000100110001111010011110101100111110,HWAQDQWSFFYNLL-UHFFFAOYSA-N
+C2(=NC1=C(C=CC=C1)[NH]2)NC3=C(C=C(C(=C3)F)F)N4CCOCC4,E9A7235D9E919227_A13AAB22430F0A15_6041_UN,8.671932,00000000000000000000000001000000000000000011000000000000010000100100000000010101000101110001000110101100011101010000001011100100110111110110001011011011010011100111110,NYBSSCNUGMVUKK-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C)F,2EB1B0344EEFEAE1_1452BD8EEA733D80_6026_UN,8.671782,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011101000010001100001100010000101111001001111000111111101111100011111111110,CLBRWMOXBBDRFA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C)Cl,E66B6D47B7AB2531_9271E50CEE3073BE_6026_UN,8.671761,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111000011101000011001100001100010000101111001001111000111111101111100011111111110,CPRTVXXJDXZHID-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C)Br,051FA5ECA05FAEB0_ACFEE99C19E7D98F_6026_UN,8.671725,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111000011101000010001100001100010000101111001001111000111111101111100011111111110,YIZAFMRKPLFCIE-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=NC=C(C=C1)NCCC2=C(C=C(OC)C=C2)F,B7D707D8BE511E61_782036B510858487_6041_UN,8.671421,00000000000000000100100000000010000000000010000000000000000000000100000000100001001000110000010000101000100100011100001001000111000001110100011111011111110111101111110,LHTHGNSVRUMUKV-UHFFFAOYSA-N
+COC1=C4C(=CC(=C1)CN[S](C2=CC3=C(C=C2)SCC3)(=O)=O)C=CC=C4,AE3EF8AA4B06BE0F_67701EE3AA5F4DBB_6029_UN,8.6712055,00000000000000000000000000000000110010000000000000010001001111001001010001000000011100001000011010001110011000001100011000001111001000001110000111111001110111111111110,CARLBQCBTNHBRH-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)C)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CSC,6F5F29658D283EE8_C21730D9035B059B_6026_UN,8.670781,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000111001011000000011001100001001010000001100001001111000010011001111010110111111110,MPYXUUOIPDOXCR-UHFFFAOYSA-N
+FC1=C(C(=C(C=C1)C#N)NCC2(CCNC2)C(C)(C)C)F,241955124A7CD77E_A2CABC55CBE0E9A6_6041_DP,8.670679,00000000000000000000000000000000000000000110000000000100000000000010000000100000101100110011000010001000100110011000101001000000110101110110011010010111010110101111010,AAMUVYBJNHCOQP-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC=C(C=C2)C3=CN=CC=C3,80ECC64D445BC769_3017D5A374E54CC3_6035_UN,8.669733,00000000000000000000000000000000000000000000000000000000000000100100000000100000000001100000010100100000000010010100101001100111110011000100001101011110100011101111110,FKFULOVOAQHSOI-RTBURBONSA-N
+CN(C)CC1(CNCCC1)OC2=CC3=C(C=C2)CCCN3,028BFB437BCDA533_417744AEFF52928B_6035_UN,8.66952,00000000000000000000000000000000000000000000000000000000000000000010000000100000101001100011010101101100110010011101001011100011110110010110001111011101110111101111110,TXMAQSXRJQCKLP-UHFFFAOYSA-N
+COCC1=C(C=C(C=C1)NCC2CCC(CN2)(C)C)C#N,47631FE5791A73E4_DA2B67F04F0E1F74_6041_DP,8.669245,00000000000000000000000000000000000000000100000000000010000000000010000000100001001000100011010000101000100001011001101001000010110101010110011011010111010111101111110,JNOPPHRTVSWUJE-UHFFFAOYSA-N
+CN(C)C[C@H]3C[C@@H](OC2=C1N=CC=CC1=NC=C2)CN3,2BE4C0F1F00D385D_D7796159D60C11BB_6035_UN,8.669228,00000000000000000000000000000000000000000000000000000000000000000100000000100001001101100011010111101100110010010101000011100111110010000110001101001101110111101111110,NQKHVBCXRBYJHT-VXGBXAGGSA-N
+CCNC1=CC(=NC=C1)C=CC2=CC(=C(C(=C2)[N](=O)=O)O)OC,D92C3D2D964B3991_A7073E23A3644C9C_7019_UN,8.6691265,00000000000000000000000010000000000000000000000001000000100000010100001110000000101000000100011101111010000000000110000101101111001101010101101111101111110111111111110,WZBZFDQOXRKXHU-UHFFFAOYSA-N
+COC(C)(COC1=C(C=C2C(=C1)CNCC2)F)C3CC3,A1CD54587301B86C_266355F5D5134922_6035_UN,8.668899,00000000000000000000001000000000000000000010000000000000000000000010000010000000001000110001010000101100110111011101101001000011110010100110000111010111110101111111110,DFHWGPIRPBWRBP-UHFFFAOYSA-N
+CCCC(C)(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)CN,F60F480130CDC4BD_833AC6D2E71B0C42_6035_UN,8.668829,00000000000000000000000000000000000000000000000000000000000000000010000000010001001011110011000100101001100110011111101011100011110110100110001111011111110101101111110,ABMXXJCEMGBPHW-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)O[C@@H]2CNC[C@H]2CC#N)C(F)(F)F,AD2B1137CCDE4CD4_064FAE5051E6F7D8_7022_DP,8.668723,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100100011000111001000001100011100000001000011110010100110001110000011110101101111110,QSPNMRKTUOVTNN-ZWNOBZJWSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CC4(CC3)CCC4,99BD6F2470FDBF08_FFDD89BBC07614DF_7022_UN,8.6686325,00000000000100000000000000000000000000000000000000000000000000000010000000000000000000010011000010000101110100011000001000000100110001110000000011010011000010100111010,ISSBAHIVCCFGMO-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NC3CC4(CC3)CCC4,4C0B970FDD7A156C_AF3DC18D2BFD70A9_7022_UN,8.66863,00000000000100000000000000000000000000000000001000000000000000000010000000000000000000010011000010000100110100011000001000000100110001110000000011010011000010100111010,VYVBXIUAUUBDCC-UHFFFAOYSA-N
+C1(=C(N=CC=C1)Br)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)OC(F)F,05085AC65010D641_6C8A6910B70FDF9E_7022_UN,8.66824,00000000000000000000001000000000000000000010001000000000000000100100000000000001000000010010000000100000101100010100000001000111000001110100001111000011100011100111110,OCGDMBPKUGBRLA-CMPLNLGQSA-N
+C1(=C(N=CC=C1)F)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)OC(F)F,5E9084D123AB67F7_CA9CCF7445CBC50A_7022_UN,8.668226,00000000000000000000001000000000000000000010000000000000000000100100000000000001000000010010000000100000101100010100000001000111000001110100001111000011100011100111110,DTOKBRDSHSSOAI-CMPLNLGQSA-N
+C1(=C(N=CC=C1)Cl)N[C@H]2[C@@H](C2)C3=C(C=CC=C3)OC(F)F,54BCD647B88BD1AC_DB633E1D1834ADEB_7022_UN,8.668226,00000000000000000000001000000000000000000010000000000000000000100100000000000001000000010010000000100001101100010100000001000111000001110100001111000011100011100111110,UYESLFDJTBIDNC-CMPLNLGQSA-N
+[S](=O)(=O)(C1=C(C=CC(=C1)Br)C#N)NCC2=CC3=C(C=C2)CNCC3,2F65C4BEE67DA267_8503FB04EAD7346A_6026_DP,8.668126,00000000000000000000000000000000110000000100001000010001001111001001010001000000011000111001001000101110111100011000011001001100111100101110001011011011010110110111110,VLPWWMJOBGFKPG-UHFFFAOYSA-N
+N1CC(F)(C1)C2=CC=C(C=C2)C(=O)OCC(C)(N)CCF,81A06C5EA460C0DA_4B55B0878A24A960_6031_DP,8.66798,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000100001000100101011001101001010010010100100110001000010001011111111111110,HMGBUSXXYCJJJO-UHFFFAOYSA-N
+N3CCC(CNC(=O)[C@@H]1CNC[C@H]1C2=CC=C(C=C2)F)C34CC4,9B437A0794619A2F_B410E3DEBC64C229_6038_DP,8.667773,00000000000000000000001000000000000000000010000000000100000000100010000000000000101100110011100011001000110100111000011011000000110100100110001000010011011110100111110,KENNXGIFCCBKGR-PXWJKWRZSA-N
+C1(=CN=C(C=C1)N2CCCC2)NC3=C(C=CC(=C3)Br)[N](=O)=O,A8F6BDC7631AD1B9_A4F6A8F899B58DE7_7022_UN,8.667014,00000000000000000000000010000000000000100000001001000000100000110100001100010101000101110000001011101010000100010000001111101100011001110110001011011011010010110111110,STTSYMLXGZSXEQ-UHFFFAOYSA-N
+C1(=CN=C(C=C1)N2CCCC2)NC3=C(C=CC(=C3)F)[N](=O)=O,F39879E33D401074_D80373B61C12E41A_7022_UN,8.667009,00000000000000000000000010000000000000100010000001000000100000110100001100010101000101110000001011101010000100010000001111101100011001110110001011011011010010110111110,XDVBZTWFZSAGPI-UHFFFAOYSA-N
+C1(=CN=C(C=C1)N2CCCC2)NC3=C(C=CC(=C3)Cl)[N](=O)=O,8B9F45C8A3B8DBC4_F16EE9A4D5374E05_7022_UN,8.666994,00000000000000000000000010000000000000100000000001000000100000110100001100010101000101110000001011101011000100010000001111101100011001110110001011011011010010110111110,PWKWUYDZSRTHAC-UHFFFAOYSA-N
+COC2=C(C=C1C=NC=CC1=C2)NCC(C)(C)C3=CC4=C(C=C3)OCO4,FD2319D2DED27A79_C347E8FA6EA15076_6041_UN,8.666754,00000000000000000000000000001000000000000000000000000000010000000110000010100000001100000000010110101100010001001101000011010111000001010110011111100111110111111111110,XERAUXVTBBTNPH-UHFFFAOYSA-N
+CC5=NC1=C(C=C(C=C1F)NC3=CN=C2C=CC=CC2=C3N4CCN(CC)CC4)S5,2CF86EF50648CE16_EBB6989927C78541_6041_UN,8.666355,00000000000000000000000000000000000010000010000100000000000000100100000000010001110101111001000010101100010110010010101011100100110001110110001011011111010110101111010,FFZBAZIGBMHQAQ-UHFFFAOYSA-N
+N4([S](=O)(=O)C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)CCC(C(=C)C#N)CC4,6F689150F64619F5_B23EF708024606BC_7017_UN,8.665846,00000000000000000000000000000000111000000100000000110001001111001001000001011000010000101000001010111110011000011000011001101100111000001110001011011000010010110111110,IVULJWUSDUKOCA-UHFFFAOYSA-N
+CC4(C)CC1=C(C(=CC=C1)N[C@H]2[C@H](CCNC2)C3=CC(=C(C=C3)F)F)O4,ACE3C38B73464DBB_F9916FB572D9E061_6041_DP,8.665638,00000000000000000000000000000000000000000010000000000010010000100010000000100001001100110011000110101100110100011101001011000100110111110110001011010111110011101111110,DQBWSSPCYXTQPO-DNVCBOLYSA-N
+CNCC2=C1C=C[N](C1=CC=C2)CC3(CCCNC3)N,D08FDFF30334A0AD_346F5BF058BA30F6_6034_DP,8.664776,00000000000000000000000000000000000000000000000000000010000000000110000000010001101111100011010010101100110000011001001011100100110101000110001001011001010110101111010,FTLGWCCYBJYQNA-UHFFFAOYSA-N
+O(C3CCN(CC1=CC=CC=C1)C2(CCC2)C3)CCC4=NC=C(C(C)(C)C)O4,17DEACEFAB186288_47FF1A141D0D2FFB_6039_UN,8.664738,00000000000100000000000000000000000000000000000000000000010000000110000000110000000101100100100111101000010001111000011011100111110010000110011101011100110111111111110,YAYAPXCRVYZOOD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2)NCCCC3=NC4=C([N]3C)C=CC(=C4)F,BEA808481D6C559A_964BB8EF31DB0326_6041_UN,8.6647005,00000000000000000000000000000000000000100010000000000000010000000100000000010101001101010011010010101100110111010100101011100100100011110110001011011011110111101111110,SBHVHSQSSXXLCS-UHFFFAOYSA-N
+CC4(C)[C@@H](OC1=C(C=C(C=C1)Cl)C3=NC2=C(N=CC(=C2)Br)[NH]3)[C@@H]5CCN[C@H]45,A896C09B6553E537_4280C9D194BBED18_6035_UN,8.664666,00000000000100000001000000000000000000100000001000000000000000100110000000100101101100010011000011101101110110011100001011000111000100100100001111010111110011101111110,QXTVREABKRCHMZ-DQYPLSBCSA-N
+CC1=CC(=CC(=C1)NCCOC2=CC3=C(C=C2)C=C(Br)C=C3)[N](=O)=O,B9D533452D67E102_166142B4B0B12E23_7022_UN,8.664632,00000000000000000000000010000000000000000000001001000000100000010000001100000000101000010000001100001110110101010100001100101111001011110010001101111001110111111111110,UEWGJRXLJYQYFW-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=NC(=C3N)C)C,E04112491AF3374E_7BA38F3A28A30994_6035_UN,8.664567,00000000000000000000000000000000000000000010000000000000000000100110000000000001001110100011000111101000101100011100001011000111010111110110001111010111110011101111110,VVIQLKBCTANDDJ-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)N[C@H]3[C@H](CCNC3)C4=CC(=C(C=C4)F)F,103FF7F70764A5F1_7CC335D6F70329D9_6041_DP,8.66384,00000000000000000000000001000000000000000010000000000010000000100100000000010101001101110011010010101100111100010000001011100100110101110110001011011011010010101111010,MIKIPCORQWLNLW-MLGOLLRUSA-N
+CC1(C)CC1COC2=C(C=C(C=C2)CN3CCNCC3)Cl,F4DA06CC474A9B94_8F1C35EEAF0EFDDF_6035_UN,8.663802,00000000000000000000001000000000000000000000000000000000000000000010000000110001001001110001000000101001100111011101101011100011110000100110001111011111110101101111110,UAAOQMNCLOJEEK-UHFFFAOYSA-N
+O(CC1(CCNCC1)NCC(F)(F)F)C2=CC=CC(=C2)CN,8BF3A1E752EB8A8E_F4EFC4A67AFC21D8_6035_UN,8.663777,00000000000000000000000000000000000000000010000000000100000000000010000000000000101010100011000100101000101101011100001001000011110101100110001101010001110111100111110,DRHYMEDOEUPHKP-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)COC2=O)C4=CC3=C(C=N[NH]3)C=C4[N](=O)=O,E14ED6443E21867F_2D47D370EE305609_6003_UN,8.663616,00000000000000000000000010000000000000000000000001001000110000010100011100000000100100000100001111000110010001000100000111111111001001011100101111101011111011110111110,XLGJMWSLFAZECN-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NCC2=CC3=C(C=C2)COCC3,F12D15C80A25F945_FEB2BF99BFBA94F4_6026_UN,8.6633415,00000000000000000000000000000000110000000100000000010001011111001001010011000000011100101000001110101110011001001000011010001100111010001110101011111001110111110111110,VTMOFEAUVHGSBP-UHFFFAOYSA-N
+N2CCCN(CCCOC1=CC(=C(C=C1)C(F)(F)F)CN)CC2,12502E73E0FC81FE_DC76235380838D25_6035_DP,8.663298,00000000000000000001000000000000000000000010000000000000000000000000000000010001101011100011000001001000101101011100001011100011110110100110001110011011110101100111110,SPOSNUKAINBRKM-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NCCC2=CC(=C(C=C2)F)C,62B5EEDF85FBC418_9980039F0AC8D1C8_6041_UN,8.662942,00000000000000000000000010000000000000100010000001000000100000010100001100000100101000010000011100101010100110010100001101101111001001110100001111111111110111111111110,CTLVRBRSJVQYQI-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C3=C2CCNC3C5=C4C=CC=CC4=CC=C5)C[C@H]6[C@@H](CNC6)F,30AED9081026F97D_C46C644988BC2393_6034_UN,8.6628275,00000000000000000000000000000000000000000010000000000000000000100100000000010001101101110011010010101100110100010100001011100111110100100110001111011011110111101111110,NSPCBOGWHRBHKE-SWXGMBTRSA-N
+C2(=C1OCCC1=CC(=C2)CC#N)NC3=CC(=CC(=C3)F)[N](=O)=O,3D796CBFF9402FAA_3B994A89ACF6FA53_6041_UN,8.662531,00000000000000000000000010000000000000000110000001000000110000010000001100000000100100010001001110000110010101010100001100101100101011110100001011111001110111110111110,SOAFQFWDTIWCKF-UHFFFAOYSA-N
+O(C[C@@H]1CNCC[C@H]1C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)Cl,6CFEDCE7CA4C99F5_BA702396EC4B1910_6035_UN,8.662528,00000000000000000000000000000000000000000100000000000000000000100000000000000000001000110011000001101001100101010100001001000111110000100110001111010011110101100111110,MGXIXBXDWWKITL-WMZOPIPTSA-N
+O(C[C@@H]1CNCC[C@H]1C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)F,A881D2E7FE3C3693_5C6421C8F1075288_6035_UN,8.66251,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000110011000001101000100101010100001001000111110000100110001111010011110101100111110,DUQXBGVLGDZTBN-WMZOPIPTSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CC4=NC=C(C(=C4)Cl)Br,A7E237DFFB82BE91_FCD03642CD3FBCE8_6034_UN,8.66248,00000000000000000000000000000000000000000010001000000000000000100110000000010001101101010011000010101101111100011000001011100100010000100110001011011011010110100111010,CBXVIRNDWFBACU-UHFFFAOYSA-N
+N(C2=C1OCCCC1=CC(=C2)F)C(=O)C=CC3=CSC=C3,607F17A911308381_02781B773BE72043_6038_UN,8.662157,00000000000000000000000000000000000010000010000000000000010000000000000000000000000100011001100110110100010101100100011010000100100011110100000011010001111011110111110,MSNVOKRVCUSMLJ-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC3=C(C=C2)OCCC3,CDEF9A0525DBC707_05D22EDA8A169BFF_6035_UN,8.662142,00000000000000000000000000000000000000000000000000000000010000000010000000100000001001100001010101101100110011011101001011100011110010000110001111011101110101111111110,HLYZXQKGKNDRPN-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCC2=C(OC)C=NC=C2,688A8386CAEEF75B_6C5D5597DFF72D7B_6041_UN,8.661871,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000000000011101101010000010000100000101101111001001010100111111101111110111111111110,FYCSDAIXMOTLSE-UHFFFAOYSA-N
+N1C[C@@H](CC[C@@H](C1)N)OC3=C2C=CC=C(C2=NC=C3)OC(F)F,2755224880C55700_EEDC27D660891E8A_6035_DP,8.661369,00000000000000000001000000000000000000000010000000000010000000000100000000000001001010100011000101101100111100010100001011000111110111100110001101010001110011110111110,CCPLPNPZXIUREC-WDEREUQCSA-N
+CSCCCCNC(=O)C1=CC2=C(C=C1)C=C(C#N)C=C2,672694C31AE977F3_75000E44A26CD024_6038_UN,8.660981,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000101011110000001100110010110001111000000100010000000010001001010001011110101111110,MLQRGNOCIIQKLJ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NCC3=C(OC)C=CC4=C3C=CC=C4,F7A8BB7DE9B4EB47_1388038A4900E3C1_6026_UN,8.660883,00000000000000000000000000000000110000000000000001011001001111001001011001000100011000001000011001001110011010001100010100001111001001011000001111101011110111111111110,OWEZUDYTPXISSF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)C4=CC=CN(C)C4=O,9A5D224E36633C53_CBC729C8217B6B1E_6034_UN,8.660424,00000000000000000000000000000000000000000010000000000000000000100100000000010001001101110001110110101100110100110100011011100101110001110110001111011011011010101111110,GVDFUCXARAFFFF-UHFFFAOYSA-N
+COC1(CCN(C)CC1OC2=C(C3=C(C=C2)C=CC=N3)Br)OC,7A35F05FFB88DB85_E1F28C36DB073522_6035_UN,8.660377,00000000000000000000000000000000000000000000001000000000000000000100000010010000000001110000010101101100010110011101101011110111110010100110011111111110110011111111110,CJNSZTUKAFAXOG-UHFFFAOYSA-N
+CN1C(=O)SC2=C1C=CC(=C2)[S](=O)(=O)N(C)CC3=CC4=C(C=C3)C=C(OC)C=C4,5B2057AA8E38FB60_A81A6E12A7A0CDC4_6026_UN,8.660258,00000000000000000000000000000000110010000000000100010001001111001101000001010000010101101000011010001110011000101101010011101111001000001100111111101110111111111111110,GWXUEXUWVFNSMC-UHFFFAOYSA-N
+CN(C)C1=CC4=C(C=C1)C=C(NC(=O)CC2=CC3=C(C=C2)COCC3)C=C4,3E2692C434C06BC0_FB36740A7841C8FB_6038_UN,8.660174,00000000000000000000000000000000000000000000000000000000010000000000000000100000000001100000110000100100110001110000011000100100110011010110001011011101011111111111110,WAJWEVZZBQGNSP-UHFFFAOYSA-N
+COCC2(COCCC1=CC(=C(F)C=C1)F)CCNC2,ADC880E57381200B_B8DF97ED0A062ACC_6039_DP,8.659752,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110111010011001000100111011001001001000010110010100110000010010011010101111111110,KPUIVXFYWITUHS-UHFFFAOYSA-N
+CC(C)(COCCC1(CCNCC1)C#N)C2CCCO2,316A80DB98F4C718_279F4523C191CC7F_6039_DP,8.659601,00000000000000000000000000000000000000000100000000000000010000000010000000100000001100100101000010101000100011011001101011000010110010000110001000010101110101111101110,CSFHWRKGQAFYIX-UHFFFAOYSA-N
+[NH]1C=CC2=C1C=CC(=C2)NCCCCN3C(SCC3=O)=O,769FEC60526C6283_DFCF261E704060FF_6041_DP,8.659529,00000000000000000000000000000000000010000000000100000000000000000100000000010000011101001111100010001100111000110000011011100101110111011110001100011011011110110111110,FBYLVWPNZJAFBY-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NC3(CCNCC3)C,A878E72272083DEA_C62CB9774DFB0D4E_6041_DP,8.659443,00000000000000000000000000000000000000000100000000000100010000000010000000010001101001100011000100101000100001011001101011100000110111010110001011011011010011101111110,JMIWBFVUFOLDDE-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2CN(C2)C3=CC=NC=C3,24BEACEA3D88CBEE_802837713BFC96C7_6041_UN,8.659419,00000000100100000000000010000000000000000000000001000000100000110100001100010001100001100011001001101010100001010010100111101110001001010110001011101011010111111111110,OKLAHBKIHUVSGV-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)[S](=O)(=O)NC2=C(N(C)C)C=CN=C2)OC,773E6AA27B0A11DB_024E85E23CF0E373_6026_UN,8.659203,00000000000000000000000000000000110000000000001000010001001111001101010011100001110001111000011000100010001100001100010001101111001001111100111111101111100011111111110,WJHTYRXBUSNAAY-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Cl)[S](=O)(=O)NC2=C(N(C)C)C=CN=C2)OC,810C78A04965B2AD_A71C43028E09792C_6026_UN,8.659202,00000000000000000000000000000000110000000000000000010001001111001101010011100001110001111000011000100011001100001100010001101111001001111100111111101111100011111111110,OMMIBGMZPPCGIY-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)[S](=O)(=O)NC2=C(N(C)C)C=CN=C2)OC,9F8F4C6A3AB387FF_E20F4278CC5D2442_6026_UN,8.659199,00000000000000000000000000000000110000000010000000010001001111001101010011100001110001111000011000100010001100001100010001101111001001111100111111101111100011111111110,AHGFFNCDOPIHSS-UHFFFAOYSA-N
+NC4(CCOCC1=CC(=C2C(=C1)OCO2)C3=CN=CC(=C3)F)CCSCC4,590E0440334BE4D0_563CF4DB6FBCB870_6039_DP,8.659035,00000000000000000000000000001000000010000010000000000000010000100110000010000000000110111010000011100100110101011100001011010110110011100110001011110001110111110111110,MYTFNCIRWDTASA-UHFFFAOYSA-N
+OC(=O)C1=C(C=C(C(=C1)[N](=O)=O)NC2=CC(=C(CC)C=C2)C)F,16544A0B044C8B34_B33A12ABB51710F5_6041_UN,8.658957,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010000001001000010000100000010100100111100001101111001101011101111001111111111110,JJYHVARENWYAQL-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CBr)NCC2=C(CSC)C=C(C=C2)F,5D422D7E7143FE59_57AD482B50F33D97_7022_UN,8.65879,00000000000000000000000000000000000000000010001000000000000000000000000000000000001000111001010000001000000100000001000000000100010001110010000011000011010110101111010,KHNHOSVTFLBOTK-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CF)NCC2=C(CSC)C=C(C=C2)F,DB966A86812FDB05_6956F15C2C44A1ED_7022_UN,8.658732,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000111001010000001000000100000001000000000100010001110010000011000011010110101111010,AQYVGQIPFBGTMX-UHFFFAOYSA-N
+C2(=C1C(=C[NH]C1=CC=C2)CC#N)NC(C)(C)C3=CC=CS3,5CEA46FF2F0ECCF8_B8F214A4CB19069C_6041_UN,8.658612,00000000000000000000000000000000000010000100000000000100000000000110000000100000110100001011000010000100010000011000000011000100000101010100001000000101000110101111010,DCRVBKVJYSCYKO-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC3=CC(=C(SC)C=C3)F,60EC5636B4D08072_BFAE25651EBEC1DA_6041_UN,8.658365,00000000000000000000001000000000000000000110000000000000000100101010000000000000010000011000010000000000000100001000000000000100000001110000001011010011000010101111010,RVHQXOXXVXMNNR-UHFFFAOYSA-N
+FC2=C(C(=C1[NH]C=CC1=C2)F)NCC3=C(C=CC(=C3)C#N)F,4F5ADF3F5F0FD538_25FD960941501946_6041_UN,8.658041,00000000000000000000000000000000000000000110000000000100000000000100000000000000101100010000000010001100010100000000000001000100000101110100001011000011010110100111010,KHGMRBAKTUHXPX-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OCC(F)(F)F)O[C@H]2CCC[C@@H](N(C)C)C2,380514ECEAF397FF_C273C67DE995FA1B_7022_UN,8.658003,00000000000000000000000000000000000000000010000000000000000000000000000010100000000001110000010001000000001111011100101000100011110011100000000111011110110111111111110,QDJHCLHRFXHOPW-OLZOCXBDSA-N
+CC(C)(OCC1=CSC(=N1)N(C)C2CC2)CC3=CC4=C(C=C3)OCO4,6F86B2350F58876C_DEA702048A94A2AA_6039_UN,8.657914,00000000000000000000001000001000000010000000000100000000010000000110000010100100010101001000010110000100011001011101100011110110010011010110011010111100110111111111110,WDERRKWCUAZZRA-UHFFFAOYSA-N
+COC2=C(C=C1C=C(N=CC1=C2)NCC(C)(C)C3=CC4=C(C=C3)OCO4)F,15010F388573DD08_479DD27683178A31_6041_UN,8.657906,00000000000000000000000000001000000000100010000000000000010000000110000010100100001100010000010010101100010101001101000011010111000001110110011111100111110111111111110,FTIKZQBONGSQTE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=CC=C2)NCC34N(CCC3)CCC4,78649BC2547B9DE5_BC16BA6247BB66F2_6026_UN,8.65778,00000000000000000000000000000000110000000000000000010001001111001011010001000001011101101011001010001110011000011000011001101100111000001110001001011001010110110111110,IYSRHYRYSAHQQR-UHFFFAOYSA-N
+COCC3(COCC1=C(F)C=C(C(=C1)C#N)F)CC2OC2C3,D363A93B3DBE5556_E6AA81CA59AEBB8B_6039_UN,8.657348,00000000000000001000001000000000000000000110000000000000010000000010000000000000000000110100010010100000010111001001000000000010110010100110000011100010110101011111110,AAWUCCHLOOPCLD-UHFFFAOYSA-N
+C[N]1C=CC2=C1N=CC(=C2)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,DE3E1682AB802DA0_1D5C616713124165_6041_UN,8.65734,00000000000000000000000010000000000000100000000001000000100000010100001100010101001101000100011110101110110000010100001111101111001001010100001111111111110111111111110,BWTYEMSAASCBFJ-UHFFFAOYSA-N
+O(C1(CNCC1)C2=C(C=CC=C2)F)C4=C3NC(NC3=CC=C4)=O,8D2EC80775312595_A66CC35B749342C2_6035_UN,8.657294,00000000000000000000000000000000000001000011000000000010000000100110000000000101001100110011000111001100111100111100011011000111010110100110001111010011111011110111110,JEQPAWURWPKMCZ-UHFFFAOYSA-N
+BrC2=C1N(C3=C(C1=CC=C2)CCC3)CCN5CCC4=C(C=CC=C4)C5,EC7DD560BA838E1D_1AE8EBB275DBDB04_6034_UN,8.657213,00000000000000000000000000000000000000000000001000000000000000000100000000010001000101110000000010101100010100010000001011100100110000100110001011011000010110100111010,OQIRRZOVVQSUNO-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCC2=C(C)C=C(C=C2)F,9E839F3C25F08A59_BCFC07B4B534B053_6041_UN,8.657183,00000000000000000000000010000000000000000010000001000000100000010000001100000000001000010000011101001010100110010100101100101111001001110000001111111111110111111111110,KYJVVHBSHUOSQZ-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CSCC3)CCN5CC4=C(N)C=CC=C4C5,E6976DE7517F443A_F67D8AB14CE79E10_6034_UN,8.657128,00000000000000000000000000000000000010000000001000000000000000000100000000010001100111111011000010101100010100010000001011100100110001110110001011011001010110100111010,QDIHWGXRWHMFOY-UHFFFAOYSA-N
+NC1=CC(=CC=C1)N2C=CN(C2=O)CC3(CNCCC3)F,332D3B806E7EF0C6_909061B61E33D95F_6034_UN,8.6567745,00000000000000000000000000000000000001000010000000000000000000100110000000010101101111110011000010101000101100111100011011100101110101110110001111011011011110100111110,UZLDBOXTFSOIBA-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CN=CC1=CC=C2NCC3=C(C=C(OC)C=C3)F,85DEF688ACF2F352_457E2C9640E6A38E_6041_UN,8.656653,00000000000000000000000010000000000000000010000001000000100000010100001100000001001000010000011001101110010100000100000101101111001001110100001111101011110111111111110,RSCQPMIYUDYGMX-UHFFFAOYSA-N
+FC2=C(C=C1OC=CC1=C2)NC34CCNC3CCCCC4,0C621BEA7C225C37_B67B17E76877507E_6041_DP,8.656461,00000000000000000001000000000000000000000010000000000110010000000010000000000001101100010011000011001100110100011000001011000100110101110100001010010011110010100111110,NNPJEHVOPYAPDV-UHFFFAOYSA-N
+FC1=CN=C(C=C1)NC3=C(C=C(CN2CCN(C)CC2)C=C3)F,313F69C4A3108FFB_C253C638C828C120_6041_UN,8.656418,00000000000000000000000000000000000000100010000000000000000000000100000000010101000001110000010000101000000100010001101011100100110001110110001011011011010110101111010,FWJVFMSENOFMDI-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NC3=CN=C(N2CCN(C)CC2)C=C3,3A1F4EEAF3BAC7A4_B72D309751C8C982_6041_UN,8.656363,00000000000000000000000010000000000000100000000001000000100000110100001100010101100001100000011100101010000000010101101111101111111001010110011111111111110011111111110,TXDAFMJHQDNYPR-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCCC2=CC=CC(=C2)C,463F03CB047F2C6D_E4AE5A559EEC5B15_6041_UN,8.6558075,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000000011100001010100010010100001100101111001001010000011111111111110111111111110,RWMCGTBLBCBZBC-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NC2=C(OC)C=CC(=C2)C[S](=O)(=O)C)C=CC=C3,5F3D9D3F027D5322_25AF4B34181F2741_6041_UN,8.655539,00000000000000000000000000000000000000000000000000010001001011000001000001000000000000101001010101000110010000001101000000001111001011011000110111101111110111111111110,RVBKKXGYFHMVTO-UHFFFAOYSA-N
+CN1C(=O)CC(=O)C2=C1C=C(C=C2)NCC3ON=C(C3)C4=CC5=C(C=C4)OCC5,F93B9071F306E357_96C652AB45662144_6041_UN,8.655039,00000000000000000000000010000000000000000000000000000000010000100000000100010010101101000110111111101110010001110100111111101101000011011110101111111011111111111111110,YTYFXRUWXRBDEC-UHFFFAOYSA-N
+CCOC1=C(C=CC(=C1)F)OCC3C(C2=CC=C(OC)C=C2)N(CC3)C,5BF2397D3212C9FD_5C4D88D4B7753C4B_7022_UN,8.654901,00000000000000000000000000000000000000000010000000000000000000100000000010010000000101110000010011001000000111010111101001100111110000100110010111111110110111111111110,JQBXRXLELHQWHI-UHFFFAOYSA-N
+COC1=C(C(=CC(=C1)C2=CC=C(CCN(C)C)C=C2)[N](=O)=O)N,4D3E3175D5B1E16B_00C36E13D56C40CA_6004_UN,8.654731,00000000000000000000000010000000000000000000000001000000100000110000001100100001000011100000011101001010000000010101101100101111001001010000011111111111110111111111110,ATEXIHZUMHIOMG-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)CC3)[S](C4=C(C)C=CC(=C4)C#N)(=O)=O,343BC843C5AF0191_567DAF8F31E5C72B_6029_UN,8.654167,00000000000100000000000000000000110000000100000000010001011111001011010001000000010000001001001000100110011000001100011000001100111011011100001011111011100011111111110,ULIAIYXVAJHRAW-UHFFFAOYSA-N
+COC[C@H]1NC[C@H](C1)OC3=CC2=C(OC(C)(C)O2)C=C3,A609B8C920C5271E_B12BEAE8A1A9D169_6035_UN,8.654134,00000000000000000000000000000000000000000000000000000000010000000000000010100000001100100111010111001100110011011101000011010011110010000110110110100101110111111111110,BJUKMEARNKJCHQ-JQWIXIFHSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)COC2=C3C(=CC=C2)CNCC3,DB3145B3A1101423_DE1E181263B21799_6035_UN,8.654129,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000100101001000101110110001010110001101101111111001010110101111111011110111111111110,VTQKJSWQBUDBAD-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F)SC,FD8D0BAD3B1BA763_ED8140BDB95367C7_6041_UN,8.653935,00000000000000000000000000000000000000000010000100000000000100101100000000010001110101111011010111101000100110010101101011100111000001110100011111011111110011101111110,XGGXVGHSAGEXFU-WBVHZDCISA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC(CN)CC4=C(C=CC=C4F)Cl,88841142F980EAFD_EFE45845B5D1BC01_6034_UN,8.653689,00000000000000000000000000000000000000000010000000000000000000100100000000010000101111110011000010101101110100010000001011100100110100100110001011011011010110100111010,GJRVZTRQIZOQLX-UHFFFAOYSA-N
+CCC(C)N=C1N(C(=CS1)C2=CC=C(C=C2)Cl)C[C@H]4N[C@H]3CCO[C@H]3C4,9B3FE062AEA1CF94_D56BF7DC12326431_6034_UN,8.653553,00000000000000000000000000000000000010000000000100000000010000100100000000010111010101011011000111001101111101010011001111100100110011110110001010011111110111101111110,STVDCALRUMOKRH-UCKHUVRUSA-N
+O(CCOCCN1CCNCC1)C2=C(C=C(C=C2)C(F)(F)F)C#N,C270C63FC31BB5F4_CFD454BDDF616056_6035_UN,8.653499,00000000000000000000000000000000000000000110000000000000000000000000000010010001001001100001000101101000101101011100001011100011110010100110001111011011110101110111110,BFIXZRCGWSFADK-UHFFFAOYSA-N
+CC[C@@H]1NC[C@@H](C1)OC2=C(C)C=CC=C2C4=NC3=C(C=CC(=C3)Cl)[N]4C,7305CEA28B63AD9C_868ADC119484BEC1_6035_UN,8.65292,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101010011010111001101110110010110100011100111110010100100011111001111110111101111110,PVHUDZTXOYQYCH-JKSUJKDBSA-N
+CC[C@@H]1NC[C@@H](C1)OC2=C(C)C=CC=C2C4=NC3=C(C=CC(=C3)F)[N]4C,04B850FA36A64873_B0A7E377FB707779_6035_UN,8.652915,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101010011010111001100110110010110100011100111110010100100011111001111110111101111110,JJDWVAQZFQZZJN-JKSUJKDBSA-N
+CC1=C(C=CC(=C1)N=C=O)NCCC[Si](OC)(C)OC,50DD0B3B6A69EDE8_D5487249E0546047_6041_UN,8.652844,00000000000000000000100000000000000000000000000000000000000000000000000000000010001000100010010000001010100010111001111100001010001011010010011010111111011111111111110,DCTZMNHIIWOQPN-UHFFFAOYSA-N
+N(C2=C(C=C1OCCCOC1=C2)[N](=O)=O)C(=O)C4=C3C=C[NH]C3=CN=C4,431CCF9643E16D24_55CE1E2A11FA31FB_6038_UN,8.652717,00000000000000000001000010000000000000000000000001000000110000010100001110000001100100000100101011100110010001100100011111101100001111011110101011111011111011110111110,SWFSRFHMGVNMIJ-UHFFFAOYSA-N
+COC(=O)C1=C(C=CC(=C1)[N](=O)=O)NC2=C(CC)C=NC=C2CC,A5E1D19E1FAAE907_1E75AA8CD70F4C98_6041_UN,8.652301,00000000000000000000000010000000000000000000000001000000100000010100001100000000100000000010011001100010000000000010000101111110101001011100111011101111001111111111110,KGJVPQIFYVQWSF-UHFFFAOYSA-N
+NC1(CCNCC1)CCOC2=CC(=C(C=C2)F)OC(F)(F)F,1DFDDEF98E00DA93_938FDA78B602C046_6035_UN,8.652008,00000000000000000000000000000000000000000010000000000100000000000010000000000000101010110111000001101000101101011100001001000011110111100110001111010011110111110111110,XJXKZTIDSHDVTK-UHFFFAOYSA-N
+NC1(CCNCC1)CCOC2=CC(=C(C=C2)Br)OC(F)(F)F,44D219203B19CD0D_CEDAB6BA9860896C_6035_UN,8.652,00000000000000000000000000000000000000000010001000000100000000000010000000000000101010110111000001101000101101011100001001000011110111100110001111010011110111110111110,OFWVJFZZGASKQF-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NCCC3=CC=C(N(C)C)C=C3,E3F6DB2E84F5D90D_1858BF8D0FD15DAD_6026_UN,8.651966,00000000000000000000000000000000110000000000000000010001001111001101010001110000011101101000011010001110111000011000011001101100001001011100011001011101010110111111110,UBCKJBWJBOEZTG-UHFFFAOYSA-N
+CCOC3CC(N)(COC1=CC(=CC(=C1)F)C2CCCNC2)C3(C)C,3DEEAF5A1349C490_689CB3C63083D9CC_6035_UN,8.651915,00000000000100000000000000000000000000000010000000000000000000100010000000100000001010110011000101101000100111011110101001000011110111100110011101010111110111111111110,ZVDBRKFJCCXXPJ-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=C(C3=C(C=C2)C=CC=N3)Br,2D0FE403803EBD5E_820EC42469059700_6035_UN,8.651394,00000000000000000000000000000000000000000000001000000000000000000110000000100000101101110011010111101100110110011101001011100111110010100110001111011111110111101111110,LAXDFTKQBKKJAZ-UHFFFAOYSA-N
+O=[N](=O)C2=C1N(C=CC1=CC=C2)CCNC3=CC=C(C=C3)C#N,C975BA0D0EB90CFC_254529BFD1AD1E0C_6034_UN,8.650964,00000000000000000000000010000000000000000100000001000000100000010100001100010001001101000000001011001110110000010000001101101100001001010110001001011001010110110111110,PCXGDFRCXIFLOU-UHFFFAOYSA-N
+O(CC2=CC1=C(C=CC=C1Cl)[NH]2)C4=C3C=CC=NC3=C(C=C4)[N](=O)=O,0EE86F8C58D9D35E_ECB83ED1119DBD35_6035_UN,8.65089,00000000000000000000000010000000000000000000000001000000100000010100001100000001000100010000001111100111110101010100000111101111001001110100001101101001110111110111110,UMVJDCBBDFVXIU-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(=O)C4=C3C=C[NH]C3=C(C=C4)F,FE6443CA9D269A24_7649DC8F3D8BBCDD_6038_UN,8.650557,00000000000000000000000000000000000000000010000000000000010000000100000000000000000100010010100011100100110101110100011011000100000111100100001011010001111011110111110,MWAGRRVDBDFLSW-CQSZACIVSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC2CC2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,315FF5DE787ED231_B28BD7ACDCBEC07C_6026_UN,8.650429,00000000000000000000001000000000110000000000000000010001001111001001010001100000010001101000011000000110011000001100010000101111001011011000001101111101100011111111110,GKJQPDZFCHQQNT-UHFFFAOYSA-N
+FC2=C(C=C1N(C(C=NC1=C2)=O)CC3(CNCCC3)C4=CC=CC=C4)F,7980DE56C35955F5_39D469888CF9C2C3_6034_UN,8.6501255,00000000000000000000000000000000000000000010000000000000000000100110000000010001101001110011100100101100110100111100011011100101110000100110001111011011011110100111110,CIUPNMSLXXPPQP-UHFFFAOYSA-N
+C2(=CC(=C1OCCC1=C2)CC#N)NC3=CC(=C(C)C=C3)[N](=O)=O,A6488EA9C036C269_551EAE5D56766070_6041_UN,8.649818,00000000000000000000000010000000000000000100000001000000110000010000001100000000100100000001001010000110010001010100001100101100101011010100001011111011110111111111110,UAIPPOUZQRFLSO-UHFFFAOYSA-N
+C1(=CC3=C(C=C1)CN(C2CC2)C3=O)NC4=CC(=CC=C4)CC#N,53CA46EDCEDA58DE_3821A2B33D2B843D_6041_UN,8.64974,00000000000000000000001000000000000000000100000000000000000000100000000000010000000101000001100010001100010000110000010001100101110001010100001111011011011110100111110,FXNNWJMMOQGLQH-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NC2=CC(=C(OC)C=C2)SC,46631765142BE8FB_6FA56C044DE104F9_6041_UN,8.649679,00000000000000000000000010000000000000000000000001000000100100011000001100000001010000001000011001000010000000000100000100101111001001010000111111101111100011111111110,NCUPIFXMHRFDRS-UHFFFAOYSA-N
+COC1=CC(=C(N=C1)F)NCC2=C(N(CCOC)C)C=CC=C2,D5731F573FC2FDAA_FF61A39A7A1F075C_6041_UN,8.6495,00000000000000000000000000000000000000000010000000000000000000000100000000000001101001110000010101101000000111010101101001100111100011110110011111011111110111111111110,QHAGWBARCCHGBO-UHFFFAOYSA-N
+O(CC1NCCC2=C1C=C(C=C2)Br)C3=C(C=CC(=C3)Cl)C#N,0A0AF86BCE15C172_A80FC94FE99AE78E_6035_UN,8.648954,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000010001000101101101110101010100001001000111110000100110001111010011110111100111110,AQABCCQEWPZRSR-UHFFFAOYSA-N
+O(CC1NCCC2=C1C=C(C=C2)Br)C3=C(C=CC(=C3)Br)C#N,D98B16D200A97711_524425816AF6DB09_6035_UN,8.648936,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000010001000101101100110101010100001001000111110000100110001111010011110111100111110,FAJAZMTUKOPFSO-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1F)Cl)C3=C2CCNCC2=C(C=C3)[N](=O)=O,9998F278661A691E_ADDF51E1472A922F_6003_DP,8.648883,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110001001000101111110101010100001101101111111011110110001111111011110111110111110,LEIHZJJRRJVNRN-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1Cl)Cl)C3=C2CCNCC2=C(C=C3)[N](=O)=O,813C2A9ABFA4A362_FD049A3C074FC8DE_6003_DP,8.648879,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000110001001000101111110101010100001101101111111011110110001111111011110111110111110,FXLYCATUEMGUNX-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1F)F)C3=C2CCNCC2=C(C=C3)[N](=O)=O,84F76D12DE0DD5E1_37BD50A5023DFD61_6003_DP,8.6488695,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110001001000101110110101010100001101101111111011110110001111111011110111110111110,BZEMUCDGBGOYMN-UHFFFAOYSA-N
+FC2=C(C=C1C=CC=CC1=N2)N[C@@H]3CCO[C@H]3C4CCNCC4,90FF340D62830B93_F96E0BAA4947D610_6041_DP,8.648704,00000000000000000000000000000000000000000010000000000000010000100100000000000001001100110011000111101100110101010000001011000100110111110110001011010011110011100111110,QALNDKILPNSAGI-WBVHZDCISA-N
+CC1(CCNCC1)COC2=CC=C(C=C2)C3CCOCC3,84676A76C7B17577_CC69AADD87EC7B63_6035_UN,8.648454,00000000000000000000000000000000000000000000000000000000010000100010000000000000001000100001000000101000100001011101101011000011110010000110000101010001110101111111110,RLALRYHMBOSYTG-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NCCC2=CC(=CC(=C2)C)C,66FA612E4A9A612A_9E7531E503D6492F_7022_UN,8.646767,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000000001001100001010100011010110001100101111001001010010011111111111110111111111110,RFKWKWZIHIMKMU-UHFFFAOYSA-N
+CC(N)C2=CC1=C(C=CC(=C1)Br)N2CCOCC3CCNCC3,00686E3BA6F4172C_71D99A3738DBAB45_6034_UN,8.646545,00000000000000000000000000000000000000000000001000000000000000000100000000010001001111110001000110101100110111010000001011100110110110100110001011011011010111101111110,OLZOJGLYNREDCR-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(CC)C=CC=C2CC,09AA60BD214D8CB2_AF3FD2D12C6525D9_6041_UN,8.646141,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000010111001100010000000100110010101101111101001010100011111101111000111111111110,TVVCDAIZGAIMBW-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,3A44F52B8EB4D287_181916E1260896FF_6041_UN,8.646141,00000000000000000000000010000000000000100100000001000000100000010100001100000100001000000100011100101110110000010100001101101111001001010100001111111011110111111111110,QUBYXZXNEHWTER-UHFFFAOYSA-N
+NC1(CCNCC1)COC2=C(C=C(C=C2)Br)C(F)(F)F,6CC92021BEB91D0B_5463530E38699660_6035_UN,8.646116,00000000000000000000000000000000000000000010001000000100000000000010000000000000101010110011000100101000101101011100001001000011110101100110001111010011110111100111110,GPYXUEXZXDHVEG-UHFFFAOYSA-N
+NC1(CCNCC1)COC2=C(C=C(C=C2)Cl)C(F)(F)F,A92D4944D0B8654D_E8FF1D9CE4325F2C_6035_UN,8.646113,00000000000000000000000000000000000000000010000000000100000000000010000000000000101010110011000100101001101101011100001001000011110101100110001111010011110111100111110,QRZUNYDVOWVRNV-UHFFFAOYSA-N
+O=C1N(C(=NC2=C1CCC2)C3=NC=CC=C3)CC4NCCC5=C4C=C(C=C5)Br,F66ED51DDA8C616B_6D105545F226A70F_6034_UN,8.646038,00000000000000000000000000000000000000100000001000000000000000100100000000010101101001010001100011101100110100110100011011100101110000100110001111011011011110100111110,SAVCEEQSQPTDOE-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NCC2=CN=C(OCCC)C=C2)[N](=O)=O)C#N,DC10067FF1108424_9C33C80693E373ED_6041_UN,8.645987,00000000000000000000000010000000000000000100000001000000100000010100001100000000101000000000101000101010000001100111011101101111001011010110001111111111010111111111110,UZCHWGJWQJZMOV-UHFFFAOYSA-N
+N3CCC(F)(CNC(=O)C1=CC2=C(C=C1)C=C[NH]2)CC3,2409E11C293D1023_5CCC651AD5582527_6038_DP,8.645729,00000000000000000000000000000000000000000010000000000000000000000110000000000000001100110011100010101100110100111000011011000100110100100110001001010001011110100111110,MIXGLTWGNAOOMS-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C(=O)N(C=N2)C[C@H]3[C@@H](CNC3)C4=CC=CC=C4)F,BC070CD0BAC81F08_C05F7FFC114B292B_6034_UN,8.645631,00000000000000000000000000000000000000000010000000000000000000100100000000010100101101110011100011101100010100100100010011100101110000100110001111001011011110100111110,HKYFIHPKPVHLAE-ZFWWWQNUSA-N
+ClC1=C(C2=C(C=C1)C(=O)N(C=N2)C[C@H]3[C@@H](CNC3)C4=CC=CC=C4)Cl,A78445787B8FE537_CA62AAE08D563FAB_6034_UN,8.645628,00000000000000000000000000000000000000000000000000000000000000100100000000010100101101110011100011101101010100100100010011100101110000100110001111001011011110100111110,CTHULINMZRKTNP-ZFWWWQNUSA-N
+CC1=NC2=C(C=C1)C=CC(=C2F)NC4=C(C=C(N3CCN(CC)CC3)C=C4)C,8DA8901960962BA6_FC426DDFF5B376EB_6041_UN,8.645156,00000000000000000000000000000000000000000010000000000000000000100100000000010001100001110000000000101100010110010010101011100100110001110110011011011111010110101111010,HYGAWTDBMGOIGC-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)[N](=O)=O)NC(CCCC2=CC=C(CC)C=C2)=O)F,179AC5B00C94A92C_199139E1149178BF_6038_UN,8.6449995,00000000000000000000000010000000000000000010000001000000100000010000001100000001000000010011111001000010100100110110011100101111001011111000101111111111101111111111110,FSEDSDDCQQQJNT-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(CC=C)CCC2)C=CC=C3)C4=CCNCC4,46965F307C7C8686_CBB5D4B2D7BCBA47_6034_UN,8.64483,00000000000100000000000000000000001000000000000000100000000000100110000000011000001101100001000010111100110010011000101011100100110000000110001011011011010110101111010,PTRBZQJUJYIMAQ-UHFFFAOYSA-N
+CC1=C(N=CC(=C1)[N](=O)=O)NC2=CC(=C(COC)C=C2)C#N,4E1F6B9285492D6A_A23B09B2124E0D8C_6041_UN,8.644653,00000000000000000000000010000000000000100100000001000000100000010100001100000101000000100000011001100010000001000001000101101110001001010100001011101111010111111111110,ABKATYZKGWOGDV-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)OCCNC2)CC3(F)CNC3,A53C9576CEDB5933_997937D4F011F5B6_6031_UN,8.643989,00000000100100000001000000000000000000000010000000000000010000000010000000000000001000110010000101001100110101011100001011010010110110100110001010110001111101110111110,YFFUQSYSCLGERO-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NC2=CC(=C([S](N(C)C)(=O)=O)C=C2)C)C=CC=C3,369063896F389BF2_1EDA38708B7AB025_6041_UN,8.643966,00000000000000000000000000000000110000000000000000010001001111001001000001100000010000101000011001000110011000001100010000101111001001011000011111101111100011111111110,CGVWWPLXXQUAQE-UHFFFAOYSA-N
+CC(C)(OC2=C(C=C1OCCOC1=C2)Br)CNC3=NC=CC(=C3)N,1732165BBFF9514B_3F724DDC2164932D_6035_UN,8.6439495,00000000000000000000000000000000000000100000001000000100010000000110000010100100101010010100000100101100010101001101001011000111000111110110001111110111110111111111110,RGVQKXYHKWJUNJ-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)N4CCC(OC2=C3C(=C(N)C=C2)N=CC=C3)CC4)[N](=O)=O,D18D833236E1616A_05E9E41AB6FF9DA5_6035_UN,8.643909,00000000000000000000000010000000000000000000000001000000100000110100001100010001000011100100011101101110010000010100001111101111111011010110101111111011110011111111110,QXRCWBLOFAMVNY-UHFFFAOYSA-N
+O(C(=O)C2=C1C=CC=CC1=C(C=C2)F)CC3CNCCN(C)C3,3FF3ECF05BB92BC8_6FA1B19C4B29B308_6031_UN,8.6433525,00000000000000000001000000000000000000000010000000000000000000000000000000010001101001110011010001001100110111010001101011110110110000100110001001011001011101111111110,CVXHFEIJXCLXMA-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CCN3CCCC3,224CCC92A024AA1F_1340263CE91CD31D_6034_UN,8.642869,00000000000000000100100000000010000000000000000000000000000000000100000000110001000101100000010010001100010000011000001011100100110000000110011000011100010110101111010,LNDPQYCBGPUPGP-UHFFFAOYSA-N
+OC(=O)C1=C(C2=C(C=C1)[NH]N=C2)N[C@H]3C5=C(OC4(C3)CCC4)C=CC(=C5)F,E657F9C24353C2D7_2792679A6D2FE4E1_6041_UN,8.642841,00000000000100000000000000000000000000000010000000001100010000000110010000000000100100010001001011100100110100011100001011011100110111110101001011110011101011110111110,PVDGJWXXZFNFDL-MRXNPFEDSA-N
+CC[N]1C=CC2=C1C=C(C=C2)NC3=C(C=CC(=C3)N4C(=O)CCC4=O)F,39902E168F7F283F_BA35211354A4E09D_6041_UN,8.642784,00000000000000000000000000000000000000000010000000000000000000100100000000010000100101010100100010001100010100110010011011100101000011111100001111011011011110111111110,CBQMZUJPTVMDCR-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C(=C1)[N](=O)=O)NC2=C(CC)C=NC=C2CC)F,E4E3023FBB8688EE_F088CBCF107D25CD_6041_UN,8.64275,00000000000000000000000010000000000000000010000001000000100000010100001100000001100000010010001001100010000100000010000101101100101001111100101011101111000110111111110,PFZOOVTXNMCCQI-UHFFFAOYSA-N
+CC(C)(C=CCC1(CCNCC1)C#N)C2=CC=CC=C2,CAEA7A3D29C5093A_75E137CFDD34DCC6_7019_DP,8.642649,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100001000000111000100010011000001001000000110000000110001001010101010100101111010,GEAHYINNSHRPGN-UHFFFAOYSA-N
+CCC1=CC=C(C=C1)[S](=O)(=O)NC2=CC(=C(OC)C=C2)SC,62E1FB2C53675F58_4382F04BAD90F186_6026_UN,8.64238,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000001000011000000010001000001110010000001111001001011000010111101111100111111111110,QDXXGBCFWLUJFK-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=CC=C2)[S](C3=C(OC)C=CC(=C3)C#N)(=O)=O,9D1843B123C2DFDC_7E5D94DFD6114FF4_6029_UN,8.642351,00000000000000000000000000000000110000000100000000010001001111001101010001000000010000001100011001100110011000001100010001001111001001011100001111101011100011111111110,QTHXQXQNUSRYHH-UHFFFAOYSA-N
+COC2=C(C=C1[NH]C=CC1=C2)NC3=C(C=CC=C3)[S](=O)(=O)N4CCCCC4,1DF26EBAE52E68B1_6F0BDF4A2D935B1D_6041_UN,8.642072,00000000000000000000000000000000110000000000000000010101001111001101000001010000110100101000011111101110011000011100011011101111111101011110001111111011110011111111110,RBUJZZVRWSYLQP-UHFFFAOYSA-N
+O(C(=O)C[N]1C=CC2=C1C=CC(=C2)[N](=O)=O)CC3=C(C)C=C(C=C3)CN,10040A903A2B229C_68D7A3D090726CB2_6031_UN,8.642071,00000000000000000000000010000000000000000000000001000000100000010100001100010000001111000000001110001110010011000000100101111110011011011110101011101011011111111111110,VVNNCLIKDDKCSR-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)OC3=C2C=CC=C3)N[C@]45[C@](OC)(CCC4)OCC5,B9BE6FB23180EFCB_E404B1E73011B49D_6026_UN,8.641945,00000000000000000000000000000000110000000000000000010001011111001011010001000000010100001011011111000110111011011000111010011111111011001100100101111011110011111111110,GJBTWFFUZJBZFN-UXHICEINSA-N
+COC(=O)C1=CC=C(S1)NCC2=CC=C(CSC)C=C2,EE61B251F2EB5151_3331C0B4701007AA_6041_UN,8.641827,00000000000000000000000000000000000010000000000100000000000000000000000000000000011100101000010010001000000000000001000000010110000001010110000000000101011111111111110,VCYFZGOFCQMFGT-UHFFFAOYSA-N
+CN(C1CCNC1)[S](C2=CC3=C(C=C2)C=CN=C3C#N)(=O)=O,4E8EEDC571A8FB46_E4AED82B83FBF0F0_6029_DP,8.641697,00000000000000000000000000000000110000000100000000010001001111001101000001000001111100101011011010101110111010011000111011101100011001001110001001011001010010111111110,GFDXUIFKDPORNC-UHFFFAOYSA-N
+CCC1CNCCN1CC(C)OC2=CC(=C(SC)C=C2)C,C1C311AE546F5586_75C3D26688058DD6_6035_UN,8.641693,00000000000000000000000000000000000000000000000000000000000100001000000000010001011001101011010100101000100010010111101011100011110010000110011111011111110111101111110,SPVQUWBOFGRDOA-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)C#N)Cl)NC3=CC2=C(OCCNC2)C(=C3)Br,C122688788EDC0D3_5F4A4C107B17270B_7022_DP,8.64165,00000000000000000001000000000000000000000100001000000000010000000000000000000000001000110001000101001101110101010100001011000100110111110110001011010011110011100111110,CNUJEGKGXFVGSU-UHFFFAOYSA-N
+O(CC1=CC2=C(C=C1)C(=O)NN=C2)CC3=CC(=C(N(C)C)C=C3)C,C5E5ADE419A8EF81_18E253ED7F1A1DE8_6039_UN,8.641627,00000000000000000000000000000000000000000000000000001000000000000100010000100000000001100000111100100100010011100100010011101111000001010110011111001111011111111111110,OXWVYJMGWSPESC-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2=C(C=C(C(=C2F)F)F)Br)C3CCCN3)C4=CC=CC=C4,E793089EECA2A64A_54A3A530B57935A0_6034_UN,8.641279,00000000000000000000000000000000000000100010001000000000000000100100000000010101001101010011000010001000100100010000101011100100110000100110001011011011010110101111010,GTZMETLOLBHPDJ-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2CC2Cl)C3CCCN3)C4=CC=CC=C4,E8CAF4AC4DACA71B_D4EB815418D99A5A_6034_UN,8.6411085,00000000000000000000001000000000000000100000000000000000000000100100000000010101001101010011000010001001100100010000101011100100110000100110001010011011010110101111010,CHEQBYRKNZHTGM-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=C(C=NC3=C2C=C(C)C=C3)C#N,EB2992CEB03F8645_55C80F8C92017A87_6035_UN,8.6411,00000000000000000000000000000000000000000100000000000000000000000110000000100000101101100011010111101100110010011101001011100111110010000110011111011111110111101111110,UFFZTHADCRFXQG-UHFFFAOYSA-N
+N1CC(F)(C1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(CN)C=C3,59F06BB5D53A11C2_35A1C81AABC6F727_6031_DP,8.6410885,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000000001000000101001000000001010110000100100110001001000001011101110111110,YRLHSIVAOREWDC-UHFFFAOYSA-N
+CC1=C(C=CN=C1F)NC24CC3CC(C2)CC(C3)(C4)F,D0141C84DE70B3FD_6153DF8CF5D2115B_6041_UN,8.64076,00000000000000000000000000000000000000000010000000000000000000000110000000000000100000010001000000100100110100011000000001000000100001110100001011000011000010101111010,RAYLJYNXONVDML-UHFFFAOYSA-N
+C1(=C(C=CC=C1)OCCC=C)NCC2N(C)CC(CC2)(C)C,E4171A449C32A7B5_5DCFA4114F549D01_7022_UN,8.640281,00000000000000000000000000000000001000000000000000000000000000000010000000110001001001100011010100111000000011011101101001100011110011010110011111011111110111101111110,ILVHPLQVXDRDMG-UHFFFAOYSA-N
+CC1=C(C=C(C=N1)F)COCC2=CC=CC(=N2)N(C)C,07B7515D0B61A62A_BBC9541899A7167A_6039_UN,8.640106,00000000000000000000000000000000000000100010000000000000000000000100000000100100000001110000010101100000000101010000100011100110000001110110011011001110010111101111110,NTQFRAMDADZIBX-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NCC3C(CCCN3)(C)C,D48874D7E62BB7A6_3E23C5F68F3C03C7_6041_DP,8.6392975,00000000000000000000000000000000000000100100000000000010000000000110000000100101001000000011000000101100110010011001101011000100110101010110001001010111010110101111010,ABMJEFVOFBKQHL-UHFFFAOYSA-N
+C2(=C1OCCCC1=CC(=C2)CC#N)N[C@@H](C)CC3=CC=N[N]3C,FE8B43B85CF83C03_EAAFE2C0612A64EB_6041_UN,8.639228,00000000000000000000000000000000000000000100000000001000010000000100000000010000100100000001011110100100110001010101101011101100100011010100001011011111110111101111110,SIBHVSOYAGOISM-ZDUSSCGKSA-N
+N2CCNC(C)(COC1=C(CN)C=C(C=C1)C(F)(F)F)C2,A67CA916DB2B0C75_59AE2CFB96A9020E_6035_DP,8.639158,00000000000000000000000000000000000000000010000000000010000000000010000000000001001010100011000101101000101111011101101011000011110100100110001111010011110111101111110,ACNMYNIOPWWFON-UHFFFAOYSA-N
+CC4(C)C[C@H](OC1=CC(=C(C)C=C1C2CNCC2)Cl)C3=C(C=CC(=C3)F)O4,C1BE9D7E6E2D499D_F089F839A340010A_6035_UN,8.639133,00000000000000000000000000000000000000000010000000000000010000100010000000100000001100110111000010101101110100011101001011000111010010100110010111010111110001111111110,GIPCBYXBGREMMM-YNNZGITBSA-N
+CCC1=CC(=C(C=C1)CC)NCCC2=COC(=N2)C3=CC=C(OC)C=C3,0F1F832E5C20B2B7_343BB024197F6193_6041_UN,8.639097,00000000000000000000000000000000000000000000000000000000010000100100000000000000101100000011110110001000100000110110011011000111100001010100011111010111110111111111110,OEXNNCBEGGVMDA-UHFFFAOYSA-N
+CCOCC1=CC(=CC=C1)[S](=O)(=O)NC2=CC(=C(OC)C=C2)SC,2138DCBE73ECD5D8_B9AC3A43603A3C61_6026_UN,8.639092,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000101000011000000010001001001110110000001111001001011010110111101111110111111111110,PSMCKFWOHJMQOE-UHFFFAOYSA-N
+N3CCC(CC=CC1=C(C)C2=C([N]1C)C=CC=C2)(CC3)C#N,8FB1BCA0A8D310B9_99B37250958C9D57_7019_DP,8.638943,00000000000000000000000000000000000000000100000000000000000000000110000000010000001101100001010010111100110000011000001011100100110000000110001011011111010110101111010,SPNAIJVEHPUESE-UHFFFAOYSA-N
+COC(OC)(OC)C1=CC(=CC=C1)NC2=C(C)C=C(C=C2)C3=NN=CO3,BE60F2903E999FA5_A7A82A46412AEF69_6041_UN,8.638747,00000000000000010000000000000000000000000000000000001000010000100100000000000000100100000000111110000000001000101000010011011110000001010100111011100111000011111111110,WRFNDIQPKJRPDY-UHFFFAOYSA-N
+COC1=NC(=CC=N1)N(C)C2=CC(=C(C=C2)C)NCCN3CC(C)(CC3)F,C1011A7119643018_9C61B27C6DF19B3A_6041_UN,8.63812,00000000000000000000000000000000000001100010000000000000000000000110000000010101101101110001010011101000101110111101111011100111110001110110011111011111010111101111110,RAZOHMXVZWPYDF-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCCC2=CC3=C(C=C2)OCC3,FC06080780476464_C6798CBE8D8E71AE_6041_UN,8.637916,00000000000000000100100000000010000000100000000000000000010000000100000000100100001100100000010010101100110001011100001011000100100011010110011011011101110111101111110,DHRQIJBQTFDAQL-UHFFFAOYSA-N
+CC1=CSC2=C1C=C(C=C2)NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,ECE18780802C3216_A394823340F69C02_6041_UN,8.637853,00000000000000000001000010000000000010000000000001000000110000010000001110000001010100001100001011000110010001000100001110101100001011010110101011111011110011111111110,QPYYQFVEZBYWSP-UHFFFAOYSA-N
+CN(C)C1(CC1)COC2=CC=C(C=C2)C3=CCNCC3,74F3A45274767FD8_C47B558B3980CC57_6035_UN,8.637412,00000000000000000000001000000000000000000000000000100000000000100010000000101000001001100001010100111000100001011100101001100011110001000110001101011101110111101111110,AXPQJXKKBAPSQI-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NCC3=C(CSC)C=C(C=C3)F,4A8545CF17F02A97_9406E7F21287D953_6041_UN,8.636956,00000000000000000000000010000000000000000010000001000000100000010100001100000001101000111001011001101110010100000001000101101100011001110110001011001011010110111111110,KEBYELOFYZCDNO-UHFFFAOYSA-N
+C1NCC2=C(C1)C3=C(N2CCCO[Si](C(C)(C)C)(C)C)C=CC=C3,E001901B0FD57364_9CF01045C968B7F2_6034_UN,8.636185,00000000000000000000100000000010000000000000000000000000000000000110000000110001001101100001010011101110110011011000101011101110110010000110011011011101010111101111110,HDXATXVONBJYNA-UHFFFAOYSA-N
+FC2=C1N=CN(C(C1=CC=C2)=O)CC3(CCNC3)C4=CC(=CC=C4)F,A035F31B8D916FA8_FB386D931C6A54A2_6034_UN,8.635956,00000000000000000000000000000000000000000010000000000000000000100110000000010100101101110011100011101100110100111100011011100101110000100110001111011011011110100111110,UEBNNRRWLQFDMP-UHFFFAOYSA-N
+ClC2=C1N=CN(C(C1=CC=C2)=O)CC3(CCNC3)C4=CC(=CC=C4)F,6B90F3E94782C0EB_2F70A1C1B41AEADC_6034_UN,8.635953,00000000000000000000000000000000000000000010000000000000000000100110000000010100101101110011100011101101110100111100011011100101110000100110001111011011011110100111110,BWTUFXNNJMAKPZ-UHFFFAOYSA-N
+BrC2=C1N=CN(C(C1=CC=C2)=O)CC3(CCNC3)C4=CC(=CC=C4)F,20B3558B0A3AC089_B584AD6D9B71C5CA_6034_UN,8.635944,00000000000000000000000000000000000000000010001000000000000000100110000000010100101101110011100011101100110100111100011011100101110000100110001111011011011110100111110,ARJMKDBCXLNNMK-UHFFFAOYSA-N
+NC2(CC1=C(C=CC=C1)C2)C(=O)OCCC3=CC(=C(C=C3)F)F,7EF8462B39D2B1F7_913F125C266DE6A6_6031_UN,8.635921,00000000000000000000000000000000000000000010000000000000000000000010000000000000000010010001000110000100110101011000001000010110110011100000000011010011011111110111110,SDQANUFQNHQEHJ-UHFFFAOYSA-N
+NC2(CC1=C(C=CC=C1)C2)C(=O)OCCC3=CC(=C(C=C3)F)Cl,C07AC0A8E8DCF3FC_43700B7C3410BE49_6031_UN,8.63589,00000000000000000000000000000000000000000010000000000000000000000010000000000000000010010001000110000101110101011000001000010110110011100000000011010011011111110111110,YVIUYRUQMQCEOK-UHFFFAOYSA-N
+CC(=O)C1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=C(CCCC)C=C2,31EBCA10D1EB91BB_2C072E48A54C70FA_6041_UN,8.635757,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000000000001001001010100000010011101100101100001001011000001011111111111110111111110,ULXRKHWTVLVLRN-UHFFFAOYSA-N
+NCCC1=C([N](C2=C1C=CC=C2)CC3CNCCNC3)C(F)(F)F,EF940F44CF1BA3E2_281C0D609880CDFD_6034_DP,8.635213,00000000000000000001000000000000000000000010000000000110000000000100000000010001101111100011000010001100111100011000001011100100110100100110001010011011010110100111010,XTVFUPKXUGNSQP-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NCC2=CC(=NC(=C2)Cl)C,2D361220B59B0978_87AA4DCA7ABD1755_7022_UN,8.634751,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000010001001100101011000111000110000101101111001001110110001111101111110111111111110,KULZUAWYPCUBPK-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C3=C2C=CC=CC2=C(N=N3)NCC(SCC)(SCC)SCC,D31DD8753788691E_0158834865BE1FD5_6041_UN,8.634436,00000000000000000000000000000000000000100010000000001000000000100100000000000101011000011001001000101100011110001010000011001100110001110110011001000101010110101111010,ZSYNHPWRJKGQHK-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NC3=CC(=C(OCC)C=C3)[S](=O)(=O)N(C)C,60AF0B3CAC537FC2_024566EBD69A2B7E_7022_UN,8.634368,00000000000000000000000000000000110000000000000000010001001111001001000001100000010000111100011001000111011101001110010000101111001001111000011111101111110111111111110,JUFASTHQDXREKM-UHFFFAOYSA-N
+COC1=NC(=CC=N1)N(C)C2=CC(=C(C=C2)C)NC[C@@H](COC)OC,8193D20BCE7C91DB_6482EC2CB6B61ED9_6041_UN,8.634327,00000000000000000000000000000000000001100000000000000000000000000100000010000100101001100010010101101000001011100101110011100111000011010110011111101111110111111111110,RYXZUVLYOLTMOM-HNNXBMFYSA-N
+O(CC1=CC=C(C=C1)C#N)C2=CC(=C(C)C=C2C3CNCC3)Cl,454EF278CAC04EDD_C27C07A1F19FE1BF_6035_UN,8.634313,00000000000000000000000000000000000000000100000000000000000000100000000000000000001100110011000010001001100101010100001001000111010000100110001111010011110101101111110,UMJILTUVARDDRW-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)CN(C2)[S](C3=CC(=CC(=C3)CC#N)F)(=O)=O,83EE8EC058AEC7C7_BABD3030CF8C7A12_6029_UN,8.634123,00000000000000000000000000000000110000000110000000010001001111001001000001010000010100111000001010001110011110011000010001101100011000101110001011001000010110111111110,FMABOKFDICUSAZ-UHFFFAOYSA-N
+FC1=CC3=C(C=C1)N(C2=C(CNCC2)C3=O)CC4(N)CC(C4)(F)F,57B02D84D6E40790_E43A8303459B44C8_6034_UN,8.6340685,00000000000100000000000000000000000000000010000000000000000000000110000000010001101011110001000001101100110100011100001011100101110101100110001111011001111110100111110,TXYDILZRNKYSSQ-UHFFFAOYSA-N
+COCC1=C(N=CO1)COC2=C(C=C(OC)C=C2)C(C)N,8BCB789171239FA8_AD21F04A9312B92A_6035_UN,8.633957,00000000000000000000000000000000000000000000000000000000010000000100000010000000000110100100010111000000000001110101010011000111010010000110111110100111110111111111110,VLKNSTYKIHGWOF-UHFFFAOYSA-N
+CCC1=C(C=CC(=C1)C#N)OCC2=CC=C(N[S](C)(=O)=O)C=C2,791786112AD7FA67_2C9C6DAF1BE56FF1_6039_UN,8.63394,00000000000000000000000000000000110000000100000000010001001011000001010001000000000000001000011000000010001001001110010000001111101001011000001111101111110111111111110,XHMKLNWVHIANKP-UHFFFAOYSA-N
+C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3C[C@@H]4CCC[C@H]4C,B979EE259F7011AF_6FD50AAFD382D4A5_6034_UN,8.633705,00000000000000000000000000000000000000100000000000000000000000000100000000010101001101100001000010101100110010010001101011100100110000000110001011011011010110101111010,KMZGVJVRVCYHJV-WBVHZDCISA-N
+N(CCC1=C[NH]C2=C1C=C(C=C2)F)C(C3=CC(=CC(=C3)[N](=O)=O)C)=O,AE867DF35EAE1DE2_0C111CB4B366F540_6038_UN,8.633066,00000000000000000000000010000000000000000010000001000000100000010100001100000000001100010011101010001110110100110000011101101100001101111100001001111001011110111111110,WBGWFGPZOSALBK-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC(F)(F)CN2CCNCC2)C=CC(=C3C)N)C,79D378DA6F748B86_35A3069EFFC6A312_6034_UN,8.632771,00000000000000000000000000000000000000000010000000000000000000000100000000010001101111100001000010101100110110011000101011100100110101110110011011011111010110101111010,IHYABRGTMFEUJP-UHFFFAOYSA-N
+N2C[C@@H](OC1=CC=CC(=C1C(F)(F)F)Cl)[C@@H](C2)N=[N]#N,BC22816EEAAE834F_0AD54621CF3E397B_6003_DP,8.632384,00000000000000000000000000000000000000000010000001001000000000000000001000000101101100110001001111001001001100011100000101001011011011100110001110000011110011100111110,ZRSIPQMMOUVGOS-VXNVDRBHSA-N
+CC(C)(CC1=CC(=CC=C1)NC3CC2CCNCC2CC3)C#N,BB8EC7D5E0DBA513_376E71A264051307_6041_DP,8.632347,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100011000000101100110000011001001001000000110101010110001001010101010110101111010,ALPSHZSKXQWGCI-UHFFFAOYSA-N
+FC(F)OC1=CC2=C(C=C1)N(C=C2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,39B989F175F2226F_7C8B42BBBA2867BB_6034_UN,8.63228,00000000000000000000000010000000000000000010000001000000100000010100001100110001000101100000011011001110011100000100000101101111001001110100001111101110110111111111110,LXFCJJIBIYXZQE-UHFFFAOYSA-N
+N2CCOCC(COCC1=C(F)C=C(C=C1F)C#N)C2,E57D001B32A8E6BC_08958010325FA4C6_6039_DP,8.632234,00000000000000000001000000000000000000000110000000000000010000000000000000000000001000110111000101001000100101010000001011000010110010100110001010010011010101110111110,QHADEJMYMZOYJM-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C)N[C@H]2[C@H](CCNC2)C3=CC=C(C=C3)F,6E969D4C97619CDE_89AB0232F25B5C68_6041_DP,8.631074,00000000000000000000000000000000000000000010000000000010000000100000000000000001001000110011010001101000100100010100001001000111110101110110001111010111110011101111110,PVHKYXDLAWWNHR-IEBWSBKVSA-N
+CC(C)(OC2=C1C=CC=CC1=C(N)C=C2Cl)CN3CCNCC3,63E9A74DC4175DD3_A421B37D10CABA57_6035_UN,8.63096,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011110001000100101101110110011101001011100111110111110110001111011111110111101111110,BZXHTXJCCVGWIL-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(OCC)C=C(C=C2)C#N)C(F)(F)F,7B63E3281FC95435_AFE30C22BD2FEFB9_6035_DP,8.630762,00000000000000000000000000000000000000000110000000000000000000000010000010000000001000100001000000101000101111011110101001000011110000100110001111010111110101111111110,GDJRLFDKVKESOB-UHFFFAOYSA-N
+N1C[C@@H](F)C[C@H]1CNC(=O)C2=C[NH]C3=C2C=C(C(=C3)Br)Br,563D3A607CD4C3F2_B2CE04885EF3A739_6038_DP,8.630517,00000000000000000000000000000000000000000010001000000110000000000100000000000001101100010011100011001100110100110000010011000100110100100110001010000011011110100111110,VYORLQVOANKCEU-YUMQZZPRSA-N
+O(C(=O)CC1=C[NH]C2=C1C(=CC=C2)Br)CC3(N)CC(F)(F)C3,797B6CF085F62755_DD1FEEC2A87636C2_6031_DP,8.63044,00000000000100000000000000000000000000000010001000000000000000000110000000000000000110010011000110000100110101011000000001010110110111100100001000000001011111110111110,CPUVLASOZYRNQJ-UHFFFAOYSA-N
+O(C(=O)CC1=C[NH]C2=C1C(=CC=C2)Cl)CC3(N)CC(F)(F)C3,1CE63F9FAACB1BB1_80BB684C113DFEE5_6031_DP,8.630436,00000000000100000000000000000000000000000010000000000000000000000110000000000000000110010011000110000101110101011000000001010110110111100100001000000001011111110111110,XSROQNKONMCJDR-UHFFFAOYSA-N
+CN(C)CC1=CN=C(C=C1)NC2CCN(C)C3CCCC23,A37FFAAB4A2663B9_6E04ABE8D177FE7B_6041_UN,8.63036,00000000000000000000000000000000000000100000000000000000000000000100000000110100100001100011010010101100110010010001101011100000110001010110011001011101010110101111010,KDAOBZJMVZKLGH-UHFFFAOYSA-N
+FCCOC1=CN=C(C=C1)NCC2=C(C=C(C(=C2)[N](=O)=O)F)F,54131FEF9D85708F_6D3FA77701F73891_6041_UN,8.630149,00000000000000000000000010000000000000100010000001000000100000010100001100000100001000010000001100101010000101000100001101101111001011110110001111111011110111110111110,SWMSAUFPBWOFOY-UHFFFAOYSA-N
+C[Si](C)(C)C1=NC(=CS1)NCC4=CC=C(C2=CC3=C(C=C2)OC(C)C3)C=C4,770C25A53CE9E80B_3D15B14C2890CC0F_6041_UN,8.629949,00000000000000000000100000000010000010100000000100000000010000100100000000100100011100101000010010001100011000001101000011000100000011010100011011001101110111101111110,GILNPGKUTOZEOA-UHFFFAOYSA-N
+CCC1=C(C(C4=C(N1CC2(CNCC2)C3=NC=CC=C3)C(=CC=C4)F)=O)C,A0754E5AF9EE96F9_5D7CF37AAC20FB59_6034_UN,8.629913,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011000011101100110110011110101011100101110000100110001111011111111110101111110,IVJWAVKCSYUULR-UHFFFAOYSA-N
+O[C@@H](CCl)C1=CC(=CC=C1)NCC2CCC(CN2)(C)C,D5A5840F3B2506F6_188900D5B7FF8CF8_6041_DP,8.629781,00000000000000000000000000000000000000000000000000000010000000000010000000100001001000000011000000101001100000011001101001000000110111110111001001010101110111101111110,HZIXYWDCFCDVJR-LOACHALJSA-N
+O[C@@H](CF)C1=CC(=CC=C1)NCC2CCC(CN2)(C)C,FF371549D950E8FC_BB811D5FD42E7409_6041_DP,8.629763,00000000000000000000000000000000000000000010000000000010000000000010000000100001001000000011000000101000100000011001101001000000110111110111001001010101110111101111110,SBMNEQFZHCLFPM-LOACHALJSA-N
+C1(=NC=CC(=C1)C#N)NC2=C(CC)C=C(C=C2)SC#N,020F41DCBA2BAD49_4F5EA450E0F6DBDD_6041_UN,8.629625,00000000000000000000000000000000000000100100000100000000000100001100000000000100010000001010000000100000000000000010000001000100000001010100001011000011000110101111010,DQIYZARZRMYTKO-UHFFFAOYSA-N
+O(C1=C(C=C(C(=C1)[N](=O)=O)F)F)CCC2=C(CC)C=CC=C2,387F853D7759AAC0_C0BE68044CCE3EAB_6039_UN,8.629555,00000000000000000000000010000000000000000010000001000000100000010000001100000000000000010000001001000010000111000110001100101111111011110000000111111010110111111111110,WXZXBBYHEOVNNF-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)N[S](C2=C(C)C=CC(=C2)CO)(=O)=O)SC,18B45F8B31C48EB5_D29B66F76F439B2E_6029_UN,8.629256,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000001000011000000010001001001100010000001111001101011001110111101111110111111111110,VPJUKTWSXWPGRI-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)[N](=O)=O)NC2=CN=C(SCC)C=C2,EE70843C6944B738_7EAD28B898C417FE_6041_UN,8.628577,00000000000000000000000010000000000000000000000101000000100100011100001100000001010000001000011101100010000000000110000101101111001001010100001111101111110111111111110,IHOAYOPVIKLKHP-UHFFFAOYSA-N
+CCC[N]1C=CC(=C1)CNC(=O)C2=C[NH]C3=C2C=CC(=C3)[N](=O)=O,A01F922BBA5ECF20_CC3308A9F4BE2C98_6038_UN,8.628495,00000000000000000000000010000000000000000000000001000100100000010100001100010000101101000000101011001110010000110011011111101100101101011110001000111001011110111111110,OASQADXBOSKKGS-UHFFFAOYSA-N
+N3CC[C@@H]4CN(CC1=NN=C(C=C1)NCC(N(C)C)C2=C(C=CC=C2F)F)CC[C@H]34,6E2D211540E7D03A_2B2BB3C9BD860BA1_6041_DP,8.627378,00000000000000000000000000000000000000100010000000001000000000000100000000110101101101110011011010101100110100010000101011101100110101110110001011011111010110101111010,QWSXMJVCLWKBHJ-NDPVAKIZSA-N
+COCCOCC1=CC(=CC=C1)[S](=O)(=O)NC2=CC(=C(N(C)C)C=C2)F,C76196A195508CEE_2AB2C118F0E21E5F_6026_UN,8.627089,00000000000000000000000000000000110000000010000000010001001111001001010011100000010001111000011000000010001101001001111000101110011011111010111011111111010111111111110,KUXYKIMAWCZNDV-UHFFFAOYSA-N
+N2C[C@H](OC1=CC(=C(C=C1)F)NCC(F)(F)F)C[C@H]2CN,608BC58CD569BE33_77B4C739799533FD_6035_DP,8.626961,00000000000000000000000000000000000000000010000000000010000000000000000000000001001110010011000111001000101100011100000001000011110111110110001110000011110111100111110,RVNYMWMRPDBEDT-WCBMZHEXSA-N
+FC2=C1C=CC=CC1=C(C=C2)NC3(CCOC)COCC3,EF2F5DCCB88FDBD6_7D1219383A4D6C5D_6041_UN,8.626607,00000000000000000000000000000000000000000010000000000000010000000010000000000000000100110011010111000100110101011001101000000110110011110110000001010001010111111111110,JVKLZGXUZMNCQH-UHFFFAOYSA-N
+COC1=CC(=C(C(=C1)C)[S](=O)(=O)NC3=C2C=NC=CC2=C(N(C)C)C=C3)C,129EBA3201879BDD_BD195FAF84C069CF_6026_UN,8.626419,00000000000000000000000000000000110000000000000000010001001111001101010001100000110001101000011000100110011000001100010001101111001001011100011111101111100011111111110,XMRAIRTVVMXWGX-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Cl)CCl)CC3,8358CDB598E6C3F5_7BF3984211E88C3E_6035_DP,8.62605,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,NGNQPTVVQFQFET-UHFFFAOYSA-N
+O=[N](=O)C1=CC(=C(C=C1)NCCC2=CN=C(OC)C=C2)C#N,A2F7849927C49F14_108B3FF75C44DE4A_6041_UN,8.625942,00000000000000000000000010000000000000000100000001000000100000010100001100000000101000000000111000101010100000110100011101101111001001010100001111111011010111111111110,UICVEVCINYWCII-UHFFFAOYSA-N
+CNCCCCCOC1=C(C2=C(C=C1)C=CC=C2)[N](=O)=O,81D84B429CAE7154_2D967D433F4DDBF6_6035_UN,8.625611,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000100111011100001110110011010101101100101111111011010010001111111011110111111111110,XESARCIYUOITLY-UHFFFAOYSA-N
+C(C1CCNCC1)C3=NC2=C(C=CC=C2)N3C[C@H]4CC[C@@H](C)N4,9808231C13C23A95_C57081293749CA0C_6034_UN,8.6255865,00000000000000000000000000000000000000100000000000000000000000000100000000010101001101100011000010101100110010010001101011100100110100000110001011011011010110101111010,KEAJKVHNDZBXAV-GDBMZVCRSA-N
+O(C1CNC2(CC1)CC2)C3=CC4=C(C=C3)C(=CC(=O)O4)CCl,D356EBC4FF5F1B3C_3A227DA55609514F_6035_UN,8.625569,00000000000000000000001000000000000000000000000000000000010000000010000000000000001000000111000100101101110000011100001011010111110010100110000101110001111111110111110,WXNOHFFGFQFBLT-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[N](C=C2C(=O)CC#N)CC3NCCNC3,833D90B4BE7144A9_71748A64B45211EF_6034_DP,8.625514,00000000000000000000000000000000000000000100000000000010000000000100000000010001101101100011010011101100110000010100001011100111110110000110001101011001111111111111110,CYQFGFKTAOPFFH-UHFFFAOYSA-N
+O(C1CN(C1)[S](=O)(=O)N2CCNCC2)C4=C3C=C(C=CC3=CC=C4)C#N,84A0BB8BC051C444_C4BE4114B500480C_6035_UN,8.625489,00000000100100000000000000000000010000000100000000000001001011001001000001010101011000101001001100101110111000011100011011101111111010001110001101111001110011110111110,PZPQMEMNCOQFOF-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(N(C)C)C=C2)C)C3=CC=CC=C3,9980644EC5033FE1_142DD1477B5D8EB8_6026_UN,8.625403,00000000000000000000000000000000110000000000000000010001001111101001010001100000010001101000011000000010001000001100010000101111001001011000011111101111100011111111110,UEHBGHJXGKXURP-UHFFFAOYSA-N
+CC3(C)C(OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)[C@@H]4CCN[C@H]34,44E2EA8C7FA876BC_F7823AF492947228_6035_UN,8.625262,00000000000100000001000000000000000000000010000000000000010000000010000000100000001100000111000011101100111110011100001011010111000000100100000101110111111011111111110,FUYDGOFLJPIXQM-LKCRCUOOSA-N
+CC1(C)CCC(C)(C)C2=C1C=CC(=C2)OCC4OCC3(CCNCC3)C4,A2AEADEEF3F6F728_07F15FA3E73E1E05_6039_DP,8.625141,00000000000000000000000000000000000000000000000000000000010000000010000010100000001100100001000010101100110001011101101011000011110010000110010111010101110101111111110,DMOTZYQXVAKGKS-UHFFFAOYSA-N
+C1(=CC(=NC=C1)CC#N)NC2=C(CC)C=C(C=C2)SC#N,B286A2C1454CBCB2_48EEB4FBF5D6F573_6041_UN,8.625123,00000000000000000000000000000000000000000100000100000000000100001100000000000000110000001011000000100000000000010010000001000100000001010100001011000011000110101111010,ZSPNGYQJFNTTNU-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=CC(=CC(=C3)F)[N](=O)=O,807B0ABAF9131B27_D1B00FA942763D33_6031_UN,8.625043,00000000000000000001000010000000000000000010000001000000100000010000001100000000001000110000001000001110110101010000001101111110111001111110101011111001011111110111110,YWKQXAQBDYOBAS-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=CC(=CC(=C3)I)[N](=O)=O,197CC31B98497FAE_8F1E3AD44A730298_6031_UN,8.6250305,00000000000000000001000010010000000000000000000001000000100000010000001100000000001000110000001000001110110101010000001101111110111001111110101011111001011111110111110,LDBAQXBQYGCKFD-UHFFFAOYSA-N
+COC2=CC1=C(C=CC=C1Br)N(C2=O)CC3=CC=CC(=C3)N(C)C,A835B09F7D2C2C32_E8C229930D1057AF_6034_UN,8.625006,00000000000000000000000000000000000000000000001000000000000000000100000010110000000001110000110100101100010100100100010001100111000001110100011111001110111111111111110,KRHLVSXQAGDQLS-UHFFFAOYSA-N
+OC(=O)C1=CN=C([NH]1)NC3=CC2=C(OCCNC2)C=C3,B91168BE6A889616_B2B9F6A1F94E2A23_6041_DP,8.62499,00000000000000000001000001000000000000000001000000000010010000000100000000000101001100100001000111001100111001010100001011010100110111010111001010110001111011110111110,RZFICQXJMSAYMT-UHFFFAOYSA-N
+C1(=C(SC=C1)CC#N)NC2=CC(=C(C=C2F)[N](=O)=O)C,3F606B35560B7888_70BB3C869071B337_6041_UN,8.62494,00000000000000000000000010000000000010000110000001000000100000010000001100000000010100011010001010000010000100010000000100101100001001110100001010001011000110111111110,LROZGZZWMLPULK-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)[N](C3=C2CNCC3)CC4(CC(OC)(C4)OC)CN,63B5274D19F1592D_408239156F7FA1F0_6034_DP,8.624918,00000000000100000000000000000000000000000000000000000000000000000110000000010000101111100011010010101100110000011000101011110111110110000110011111011101110111111111110,YASHZHGJTNHDKR-UHFFFAOYSA-N
+COCCC(OCCC1(CCNCC1)C#N)C2=CC=CC=C2,703B4EE02664E9B8_ECABE42C95E6CBBF_6039_DP,8.624902,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100101010000101000100001011001101001000010110010000110001001010001110101111111110,FCBMFFMBDQKDQU-UHFFFAOYSA-N
+CCCN2CCCC(OCC1=CC(=C(C=C1)C)CCCCOC)C2,C46763184288D2A6_D5B70B3F7F9F961C_6039_UN,8.624837,00000000000000000000000000000000000000000000000000000000000000000000000000010000000001100000010100101000000011010011101001100011110010000110010111011110110101111111110,CZUKLXYVVMWRIM-UHFFFAOYSA-N
+FC2=C(C(=C1N(C=CC(C1=C2)=O)CC3(CCNC3)C4=CC=CC=C4)F)F,B3295C5F43F422E5_DFDEAA5A77B2B415_6034_UN,8.624809,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011000011101100110100011100001011100101110000100110001111011011111110100111110,SQXUKWXXEFTSSX-UHFFFAOYSA-N
+COC1=CC4=C(C=C1)C=C(CN[S](C2=CC3=C(C=C2)C(=O)CCC3)(=O)=O)C=C4,0D6874269CB328D4_7CDBECAB29A0EF3C_6029_UN,8.624526,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000001000011000001110011000001100011000001111101010001000100111111001111111111111110,ZVKHTRXJYQASGE-UHFFFAOYSA-N
+CC(C)(OC1=CC2=C(C=C1)OCCNC2)CN3CC(N)C3,C62E5C44C64B4D75_866F6AD0365033F9_6035_UN,8.624492,00000000100100000001000000000000000000000000000000000000010000000010000000110001001011100001000101001100110011011101001011100011110111000110001110011101110111111111110,VFSVWNWOPQVLOD-UHFFFAOYSA-N
+CCOC1=C(N=CC=C1)C2=CC(=C(OC)C=C2)CN(C)C,CCB8379E8F6CFEBB_4B17B07E3D3D4442_6004_UN,8.623753,00000000000000000000000000000000000000000000000000000000000000100100000000100000000001100000010101101000000011000111000001100111000000000110011111001110110111111111110,SBJJNQHPHFUNGQ-UHFFFAOYSA-N
+CCOC1=CC2=C(C=C1)N=C(C=C2)NCC3=C(C)C=CC(=C3)[N](=O)=O,1A7FE1962BFBE1DC_A839893E4022DC9F_6041_UN,8.623734,00000000000000000000000010000000000000100000000001000000100000010100001100000100001000000000001000101110010001000110100101101111001001010110001111101111110111111111110,DHONRHOVSKJCDQ-UHFFFAOYSA-N
+O=[N](=O)C2=C1[NH]N=CC1=CC(=C2)NCC3=CC(=C(SC)C=C3)C#N,801B722527D93E50_F962A47FD7F42C08_6041_UN,8.623539,00000000000000000000000010000000000000000100000001001000100100011100011100000001111100001000011011001110010000000000000111101100001101010100001011001011010110111111110,ZJZUWXITHCRZEW-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)C#N)C)NCC2CNCC(C2)(C)C,4055A17BCA83AF38_93978002033ABB1C_6041_DP,8.623302,00000000000000000000000000000000000000000100000000000100000000000010000000100000101000100010000000101000000010001001000001000000100101010110011011000111010110101111010,ZRDWUYREKCWOHV-UHFFFAOYSA-N
+BrC2=C1C=CN=C1N(C=C2)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,5E8287922536EECB_07F780BC437117B3_6034_UN,8.6229315,00000000000000000000000010000000000000100000001001000000100000010100001100110100100101110000011010101110010110000000000111101000001001110100001011001110010110111111110,YFYGSFZELKXEFD-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=NC=C(C=C2)F,16A464DC597D7FE8_B41952933F030DF0_7022_UN,8.621985,00000000000000000000000000001000000000000010000000000000000000000110000000100001001000110001010100101000000101011101000001010111000001110110011111000111110111111111110,IGDWSONTGMOAKU-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=NC=C(C=C2)Cl,2BF47D3A61382EE3_562B60450150D107_7022_UN,8.621985,00000000000000000000000000001000000000000000000000000000000000000110000000100001001000110001010100101001000101011101000001010111000001110110011111000111110111111111110,NALUDPKPNSNKFX-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=NC=C(C=C2)Br,0B00392189B146A7_FD93A6D6A20B0F2D_7022_UN,8.621974,00000000000000000000000000001000000000000000001000000000000000000110000000100001001000110001010100101000000101011101000001010111000001110110011111000111110111111111110,XWQDYCIZFHSZAJ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)C=CC2=C[NH]C3=C2C=CC(=C3)OC,9198191D9A27A409_BBCC4AD13919C23C_7019_UN,8.621724,00000000000000000000000010000000000000000000000001000000100000010100001100000000000100000000011011010110010000000100000101101111001001010100101111101111100011111111110,FJTOCQMCCWWDAL-UHFFFAOYSA-N
+CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OCCC3SCCS3,2770F60D5A58B723_4092F8BBCE50788B_6039_UN,8.62167,00000000000000000000000000000000000010000000000000000000000000100000000000100000010100001000000010000000000001000000001010000011110010000110000101010110110101001011110,SYWFAFWEZIIVOD-RBUKOAKNSA-N
+COC2CNC(C)(COC1=CC(=C(C(=C1)C)[N+]#[C-])C)C2,B542AA2F3C47ECDA_73A336A1B24E28FB_6003_DP,8.62081,00000000000000000000000000000000000000000100000001000000000000000010000000000000001100000011010111001000100011011101100001000011110011010110011110000111110111111111110,LCUXXIQJGJDDSF-UHFFFAOYSA-N
+O(C1(CNCCC1)C(F)(F)F)C2=CC3=C(C=C2)C(C(=CO3)C4=C(OC)C=CC=C4)=O,C3D2A552F37FE5FB_C71D61A60203D4D4_6035_UN,8.619958,00000000000000000000000000000000000000000010000000000000010000100010000000000000001000100111010100101100111100011100001011000111110010100110100111110011111001111111110,HIHQTBIWLRDVDD-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N=C(C(=C2)C)NC[C@@H]3C[C@@H](CN3CC4=CC=N[N]4C)F,167618CCBF2B4439_0E2E25CA6AD43CC2_6041_UN,8.619408,00000000000000000000000000000000000000100010000000001000000000000100000000010101101101110011011010101100010110010100100011101111110001110110011111001111110111101111110,KSZPSEMOGALSTQ-WMZOPIPTSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC2=C(C=C(OCC)C=C2)F,606E511199366F5C_A74A7E7C3F91AE3C_6041_UN,8.619188,00000000000000000000000010000000000000100010000001000000100000010100001100000101000000010000011101100010000101000110000101101111001001110100101111101111110111111111110,YKCMFURODQMWND-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)CC3CCC(CN3)(C)C)Cl,451EF41AEC170F77_CC8945F478589234_6034_DP,8.619178,00000000000000000000000000000000000010000000000100000000000000000110000000110111011101011011000010101001101100011001101111100100110101110110011011011111010110101111010,FRGIIODNTLKHKH-UHFFFAOYSA-N
+CC1=C(C2=C(N1CC(C)(C)CCC#N)C=CC=C2)C3=CCNCC3,37E7C15B2FD0E5E9_DFB56648B8F44CB0_6034_UN,8.618719,00000000000000000000000000000000000000000100000000100000000000100110000000111000001101100001000010111100110010011001101011100100110000000110011011011111010110101111010,HMQYNZYTCVNSHR-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NC3CCCC34CCCC4,E622E96FEEC93FF6_423856476EBEB7CD_7022_UN,8.618648,00000000000000000000000000000000000000000000000000000000000000000010000000000000000000010011000010000101110100011000001000000100110001110000000001010001000010100111010,FXMLEOQNGVGMHW-UHFFFAOYSA-N
+O([C@@H]([C@H]1NCCC1)C2=CC=CC=C2)C3=C(C=C(C(C)=O)C=C3)Cl,40498E796B73EC31_E87DDFC3284DF36D_6035_UN,8.618586,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100010011000110001001100100010100001001000111010000100100000111010011111011111111110,IAAGBFIGRXMDPM-PKOBYXMFSA-N
+O([C@@H]([C@H]1NCCC1)C2=CC=CC=C2)C3=C(C=C(C(C)=O)C=C3)F,3869CAE007BBFBBA_9D022F109E66B187_6035_UN,8.618582,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100010011000110001000100100010100001001000111010000100100000111010011111011111111110,MKYYLIMARHUHFL-PKOBYXMFSA-N
+O([C@@H]([C@H]1NCCC1)C2=CC=CC=C2)C3=C(C=C(C(C)=O)C=C3)Br,F326DB7246EEE6E5_BD7AE72129CFE2D0_6035_UN,8.618573,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100010011000110001000100100010100001001000111010000100100000111010011111011111111110,GTLWRFZCOMSOQA-PKOBYXMFSA-N
+C1(=CC(=CN=C1)F)NC2=C(OC)C=CC(=C2)N3CCC[S]3(=O)=O,88C93191A69D55D3_03DE0A0798CF2DAB_7022_UN,8.618492,00000000000000000000000000000000110010000010000000010001001011100101000001010001110100011000011110101010001100011100011011101111011011111110001111111011110011111111110,YRFHSBAHXKCOTE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N4CCC(C3=CC(=C(OC)C=C3)F)C4,AB5B4592EF57AE32_471A1F364466E5F3_6026_UN,8.617654,00000000000000000000000000000000110000000010001000010001001111101001000001010000010100111000011010001110011100011100011001101111011000101110000111111010110011111111110,IMOYDOSPLXEVFG-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NCCC2=C[N](C3=C2C=CC(=C3)C)C,FE3BF975616DB2EB_B2428E289B18D32D_6041_UN,8.617646,00000000000000000000000010000000000000100000000001000000100000010100001100010100101101000000011110101110110010010100001111101111001001010100011111111111110111111111110,WPAFAWJXPAQDKH-UHFFFAOYSA-N
+O(CC1=CC=C[N]1C(F)F)CCC2(CCNCC2)C#N,EDF0B8FE0873A8F0_5915A69BAA231327_6039_DP,8.617624,00000000000000000000000000000000000000000110000000000000000000000110000000010000001101100001000110101000101101011000001011100010110010100110001010011011010111100111110,RCKBOVDXVBVMQN-UHFFFAOYSA-N
+N2=C(C1(CO[Si](C(C)(C)C)(C)C)CC1)[N](C3=C2C=CC=C3)CCC4=NC=CC=C4,B1FC4C1D4D84784C_5B15D4790F49B4F9_7013_UN,8.61728,00000000000000000000101000000010000000100000000000000000000000100110000000110101100101100000010011101110010011011000101011101110110000000110011011011110010111101111110,PADSIWPQYKFGDW-UHFFFAOYSA-N
+CC[N]1C(=NC2=C1C=CC(=C2)F)COC4=CC3=C(C(C(C)(C)C)NCC3)C=C4,434271F8FB0B0CFE_F95E7A4380C16ECA_6035_UN,8.61723,00000000000000000000000000000000000000100010000000000000000000000110000000110101001101010001000110101100110111011110001011100111010000100110011111011111110111101111110,CXUZXSBLXARMAO-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C#C)NC2=C(CC)C=CC(=C2)[N](=O)=O,1B0B28D2E81DE27C_F3517198C0341FBE_6041_UN,8.617146,00000000000000000100000010000000000000000000000001000000100000010100001100000001100000000010001000100010000000000010000101101100001001010100001011001011000110111111110,SFWHVVNTYANIMA-UHFFFAOYSA-N
+N1CCC(=CC1)C2=C[N](C3=C2N=CC=C3)CC=CC4=CC(=CC=C4)F,1E2AF5E34635F361_5A5127B2BEBA117C_6034_DP,8.617085,00000000000000000000000000000000000000000010000000100000000000100100000000011001101101110001000010111100110100010000001011100100110000100110001001011001010110100111010,CTYFIZNBYINGPV-UHFFFAOYSA-N
+O(C3CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)C4=CC=C(C(=C4)SC)C#N,33BA1A9AD7F6FDF5_25E8D69018220833_6003_UN,8.616968,00000000000000000000000000000000000000000100000000000000000100001100000000000000010100011011010010000101110100010100001001000111110010100100001111010011100011001111110,HZFIYOQNKJBQKH-UHFFFAOYSA-N
+COC(=O)C[C@H]1[C@@H](CNC1)OC2=CC3=C(C=C2)[NH]C=C3,1BEBCBE26148FEEC_A9F438996D00DACE_6035_UN,8.616858,00000000000000000000000000000000000000000000000000000000000000000100000000000000001100100011010111001100010000000100100011010111110110000110001100100011111111111111110,LHTKPQPJAOLJMC-BXUZGUMPSA-N
+COC1=C(C=CC(=C1)COC2=C(C3=C(C=C2)[NH]C=C3)[N](=O)=O)Cl,F953F74A670C2E5E_F7B1D9B1EF8CB575_6035_UN,8.616753,00000000000000000000000010000000000000000000000001000000100000010100001100000000100100010100011110000111010101000100000101101111001001110100101111101011110111111111110,MBAUSESEKNZGBC-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)COC2=C(C3=C(C=C2)[NH]C=C3)[N](=O)=O)F,37EC1C510C8985C6_C4568471B63E6A5F_6035_UN,8.616725,00000000000000000000000010000000000000000010000001000000100000010100001100000000100100010100011110000110010101000100000101101111001001110100101111101011110111111111110,HKJATRFWUIRALA-UHFFFAOYSA-N
+CC(COC1=CC=C(CCOC)C=C1)(N2CCNCC2)C3=CC=C(C=C3)Br,27A40CAE3C0FA730_34774E50CC9E0E1A_6035_UN,8.616411,00000000000000000000000000000000000000000000001000000000000000000010000000010001001001110001010100101000100111011101101011100111110010100110001101011101110111111111110,YUOUKZJTRFGMGS-UHFFFAOYSA-N
+CCC1=CC(=C(C=C1)Br)N[S](C2=C(C=C(OC)C=C2)C#N)(=O)=O,601ECB4EB1A4BF1E_B8EE6B135AE2551B_6028_UN,8.616212,00000000000000000000000000000000110000000100001000010001001111001001010001000000010000011001011000000010001100001110010000001111001001111000001111101111100111111111110,JDTATYPQAPWOQT-UHFFFAOYSA-N
+O=C2N(C1=C(C=CC=C1)N2C3CCNCC3)CCC4(C)CC4(F)Cl,FC3213B0FAC64F5B_EA41E1645206E2C0_6034_UN,8.61594,00000000000000000000001000000000000001000010000000000000000000100110000000010101101101110001000010101101111100111101111011100101110001100110001111011011011110101111110,GZINHPBACJTXTM-UHFFFAOYSA-N
+C[Si](C)(C)C[N]4C=C(NC(=O)C3=CC2=C(C=C1OCCOC1=C2)[NH]3)C=N4,DF13E51A6E9E5EDD_A90CDCDC31DEB7BB_6038_UN,8.615768,00000000000000000000100000001010000000000000000000001010010000000100000010110001100100100001111111101100010001111101011011101100000111010110011011111101111111111111110,LBMSBAWLMFKCPC-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=NC(=C2)NCC3N(CCN(C)C3)C,399190F58471B329_208AE6CACA325BFF_6041_UN,8.615753,00000000000000000000000000000000000000100010000000000000000000000100000000010101101001110011010000101100010110010001101011100100110001110110001001011111010110101111010,DRDIBDIWYXQMDP-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=C(C=CC=C2)OC(F)(F)F,53303430F56088E6_395F9BDE3322755F_6035_UN,8.615269,00000000000000000000000000000000000000000010000000000000000000000000000010000000001000000011000001101000101101011100001001000011110000100110000111010011110111110111110,HAVMVVWOVUIVHI-CABZTGNLSA-N
+CC(C)(C)C1=CC2=C(C=C1)OCCC[C@@H]2OC4=C(C3=NC(=NO3)C)C=C(C=C4)Cl,1E8E51429CD6B8D9_D7FBD1E53D5C11AA_6035_UN,8.615236,00000000000000000001000000000000000000100000000000000000010000100110000100100101000100010100101111000111010101101100011011001111000010100100011111110110110011011111110,SUUXWNRVVFJWEV-FQEVSTJZSA-N
+C1(=CC=C(C=C1)C[S](=O)(=O)CC#N)NC3=CC=C(N2CCNCC2)C=C3,29F55F7E587530AE_DE2F7DB3D11CA3B9_6041_DP,8.614783,00000000000000000000000000000000000000000100000000010001001011100001000001010001001001101001000001101010100000011000001011101100111111011110001001011001010110110111110,MWDOHRULLYEXSQ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)C4=C(C(=O)CC4)C5=CC=CC=C5,56D9B67165D6467A_6A918EEE1DFCEF21_6034_UN,8.614346,00000000000000000000000000000000000000000010010000100000000000100100000000011000001101110001000011111100110100010000001011100101110011100110001101011011111010100111110,FBXXVFLMZPKPLW-UHFFFAOYSA-N
+COCCOC1=C(C(=CC=C1)F)C(C)OCC3OCC2(CCNCC2)C3,8D7D598FD7160A0A_C20D4A93CB96AF0E_6039_DP,8.614151,00000000000000000000000000000000000000000010000000000000010000000010000010000000001100110101010010101000110101011101101011000011110010100110100111110111110101111111110,XJVIJIDAFWPEEA-UHFFFAOYSA-N
+CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)NC4(CC4CC)C5=CC(=CC=C5)C,A793ABE0F5A58E83_131055D4C9636F25_6041_UN,8.614053,00000000000000000000001000000000000010100000000100000000000000100110000000000100110100001011000010100100110000011011101011000100110001010100011011010111000110101111010,TVLRBKQOENSABH-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NCC2=C(C=C(C)C=C2C)C,08F5815BD66C4572_02486AA6B33DDAAA_6041_UN,8.6140375,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000000000011101101010000000000100100101101111001001010100011111101111110111111111110,VEXPLXZXWREVJK-UHFFFAOYSA-N
+COCCOC1=NN=C(C=C1)NCC2=C(N(C)C)C=C(C=C2)C,AD1B371620A7320C_54810026CC139514_6041_UN,8.613639,00000000000000000000000000000000000000100000000000001000000000000100000010100101101001100000111100101000000011100101111011101111000011010110011111011111010111111111110,XEPWRJFGLRAQOF-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)C)[C@@H]2CCCC[C@H]2OC3=C(C=C(C=C3)CN4CCNCC4)Cl,E8F0EA775B407430_49B31BA9B219B7E5_6035_UN,8.613636,00000000000000000000000000000000000000000000000000000000000000100000000000010001001001110001000000101001100110010100001011100111110010100110001111011111110101101111110,UAXNUDDWNNQUQT-XUZZJYLKSA-N
+N3CC(COC(C1=C(SC)C=CC=C1F)=O)C2=C(C=CC=C2)C3,BB2BB02866736D3A_05112254EB649AD5_6038_DP,8.613465,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000111010010001101100010101000000000001010110100000100110000011000011011101111111110,ATWDXABFVGJKBR-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)N[C@@H]3CN(C)CCC3,143FEBAEA07AB2F4_FE54D6B42EB62B9B_6041_UN,8.613287,00000000000000000000000010000000000000100010000001000000100000010100001100010101000001110011011001101110110110010001101111101100111001110110001001011001010010111111110,NZECTWUPEBTTAS-LBPRGKRZSA-N
+C1CNC(CC1)C2=NC(=CN2CCC3(C)CC3(F)Cl)C4=CC=CC=C4,9D3F37278E499E3D_70E5221CB6EAD656_6034_UN,8.613168,00000000000000000000001000000000000000100010000000000000000000100110000000010101001101010011000010101001100100011001101011100100110000100110001011011011010110101111010,AGMDUOPBLQBTIT-UHFFFAOYSA-N
+N[C@H](COC1=CC2=C(C=C1)CNCC23CC3)C(F)(F)F,CA6A052D7120248A_1D2BA185D3B4B363_6035_UN,8.613154,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010100011000100101100111101011100000001000011110100100110001111010001110111100111110,ILMLZPZBEFFVBW-GFCCVEGCSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)OCC2(OC)CCNCC2,AC524D87A1ED80D1_D8A4EFCA05111A0F_7022_DP,8.613088,00000000000000000000000000001000000000000000000000000000000000000010000010100000001000100001010001101000100011011101101001010011110010000110110111110111110101111111110,QWBNVRBFEOLALQ-UHFFFAOYSA-N
+O(CC(F)(F)CN1CCNCC1)C2=CC=C(CC(CC)N)C=C2,FDE2D3655610B371_B574846E0729833B_6035_UN,8.613078,00000000000000000000000000000000000000000010000000000000000000000000000000010001001011100001000001101000100101011110101011100011110100100110001101011001110111101111110,PRZGRDHQHWDASL-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Cl)N[S](C2=CC=C(CSC)C=C2)(=O)=O)C,4D1869965B8131C7_2445866196B01DEE_6029_UN,8.612862,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000111000011000000011001100001101010000001111001001111000010111101111110111111111110,MDSBQYWVILUJDF-UHFFFAOYSA-N
+BrC1=NC2=C(C=C1)C(=CN2C[C@H]3NCC[C@@H](C(C)(C)C)C3)C#N,4C18144318E1CA14_E22972980C30999B_6034_UN,8.61281,00000000000000000000000000000000000000100100001000000000000000000110000000110101101101010001000010101100110110011000101011100100110000100110011001011101010110101111010,MYECXHYUPDPBDE-KGLIPLIRSA-N
+CC(C)(C)[C@@H]1CCCC[C@H]1OC2=CC3=C(C=C2)CNCCO3,C378445D6470D932_91EC17083EA53455_6035_UN,8.612665,00000000000000000001000000000000000000000000000000000000010000000010000000100000001000100100000101001100110011011100101011000011110010000110010111010111110001111111110,QWWQQIIUZQCPOQ-IAGOWNOFSA-N
+COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(CC)C=C(C=C2)I)C,104996B391AB8981_D06D3428FAC4737F_6026_UN,8.612604,00000000000000000000000000010000110000000000000000010001001111001001010001000000010000011010011000000010001100001110010000001111001001111000010111101111100111111111110,CHTOZAICFOLJDB-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(CC)C=C(C=C2)Br)C,C439236603D70CFF_1862CB33A3354961_6026_UN,8.612601,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000011010011000000010001100001110010000001111001001111000010111101111100111111111110,YHFBJKIPORKRIX-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CC2)C#N)NC(CN3CCNCC3)(C)C,8B8EDB4223B2D88A_F79D513F05A7AF7F_6041_DP,8.612422,00000000000000000000001000000000000000000100000000000000000000100010000000110001001001100001000000101000100010011001001011100000110101010110001001011101010110101111010,TVIQIKZFJYIHJL-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C(=NC=C2)NCC3=C(OC)C=C(C=C3)C#N,3C8E850672E53E26_4A29821070D70490_6041_UN,8.6121855,00000000000000000000000010000000000000100100000001000000100000010100001100000100001000000000011001101110010010000100000101101111001001010100001111101011110111111111110,GLVGHTIMMPXIDM-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)N[S](C2=C(OC)C=CC(=C2)Cl)(=O)=O)C#N,EBDB053E206493B8_847D7ABD1596260B_6043_UN,8.612139,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011100011001000011001100001100010000001111001001111000001111101111100011111111110,LIURAUSHNLPYQD-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)N3C(=O)C2=C(C=CC=C2)N(C3=S)CC4(CNCC4)C(F)(F)F,B735DF1F4AE3B76E_019B996C0B45B2D0_6034_UN,8.611637,00000000000000000000000000000000000000000010001100000000000100101110000001010100111101111011100011101100111100111100011011100101110001110110001111011011011110100111110,CUAZGKICVNPBIE-UHFFFAOYSA-N
+FC1=C(C=CC=C1)CC2=NN=C(S2)NCC3(CCNC3)C(C)(C)C,4A51CE241F59B309_FC2B5FCC968D3CEB_6041_DP,8.611595,00000000000000000000000000000000000010000010000100001100000000000110000000100101111100111011001010001000101110011000101011001100110101110110011010010111010110101111010,IMNJBYIQJUJLKT-UHFFFAOYSA-N
+C[C@@H](OC2=CC1=C(C(C)NCC1)C=C2)CN3CCOCC3,6EC07DE9C79CBF33_1AE91618F152F03B_6035_UN,8.61138,00000000000000000000000000000000000000000000000000000000010000000000000000010000001001100001000100101100110011010101101011100011110010000110001111011101110111111111110,ZSNRXFABMHJVNA-KWCCSABGSA-N
+O([C@H](CF)C1=CC=CC=C1)C2=CC=CC(=C2)N3CCNCC3,DBFCEEF874123762_762BD8855CB3A22B_6035_DP,8.610822,00000000000000000000000000000000000000000010000000000000000000100000000000010001001001100001000001101000100000010100001011100111110011110110001101011001110111100111110,NQJVHQWIBUJRIW-GOSISDBHSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)NCCCC2=CC(=CC(=C2)F)F,F79B2D76B7BEE641_B19A4901C4565343_6041_UN,8.610521,00000000000000000000000010000000000000100010000001000000100000010100001100000101001000010010001100101010100110010000001101101100001001110100001011011011010110111111110,QAOIMEMRGLAIHI-UHFFFAOYSA-N
+C2(=C1C=CN=C(C1=CC=C2)C#N)NC4=C3C=CC=NC3=C(C=C4)[N](=O)=O,82DB5B0FB845D41D_E2FC08DDCA5A7D15_6041_UN,8.609913,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000000001001100110010000000000000111101100001001010100001001001001000010110111110,FRRSIZCLLOOXPZ-UHFFFAOYSA-N
+N(C2=C1C=NC=CC1=C(C=C2)[N](=O)=O)C(=O)CCC3=CC4=C(C=C3)OCC4,3FAFA4250315BD62_EBFB0D3CC96BE764_6038_UN,8.609482,00000000000000000000000010000000000000000000000001000000110000010100001100000000100100000010101010100110110001110100011111101100101011011100101011111001111111110111110,WKOQHKPALHBFBH-UHFFFAOYSA-N
+COCC1=NC(=CC=C1)NCCC2=C(N(C)C)N=CC=C2,1488F3CBDEE1B4E8_807B1400DD8CB528_6041_UN,8.609222,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001100001010100101000100011010001001011100110000001010110011011011111010111101111110,NTBBOHUZSSKVBQ-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(=O)C4=C(C=C3C=CN=CC3=C4)F,B8C5CBD181B78D96_ED48DFD8A20601AE_6038_UN,8.609068,00000000000000000000000000000000000000000010000000000000010000000100000000000000000000010010100001100100110101110100011011000100000011100100001011010011111011110111110,ORGGHZAFDDOAMJ-MRXNPFEDSA-N
+O([C@H]1CCN(C1)C2=NC=CC=C2)CC3=CC=C(CO[Si](C(C)(C)C)(C)C)C=C3,FB783F4AE0D4B2C7_6DADED09B25CF8C2_6039_UN,8.609052,00000000000000000000100000000010000000100000000000000000000000100110000000110100000101100000010111101010000011011000101011101111110011010110011101011100110111111111110,DWRZKMYBTSVJCO-NRFANRHFSA-N
+N#CSCC2=NC1=C(C=CC=C1)N2CC3CNCCC34CCN(C)CC4,9D39FAE2F96DBFE7_292ED8EE1F7EA6E7_6034_UN,8.608777,00000000000000000000000000000000000000100100000100000000000000000110000000010101101101101011010010101100110000011001101011100100110000000110001011011011010110101111010,ICKJYZHDVWXZKU-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NC3=C(SC)C=C(C=C3)F,003C3D463E181976_98BE06032DA0D802_6041_DP,8.608755,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000111001010001101000100101010000001001000111110111110110001111010011110111101111110,CZNWZYHWZMHEKD-UHFFFAOYSA-N
+CC6(C)COC5(C[C@@H]4CC(OC1=CC=CC(=C1)C2=NC3=C([N]2C)C=CC(=C3)F)C[C@@H]4C5)OC6,1E1A2E8A555E4757_9A761274C02FA6C7_6035_UN,8.608703,00000000000000000000000000000000000000100010000000000000010000100110000000110101000101010100010010100100010101001101000011110111110010100110011111101110110011111111110,OLCDLLIIUWMMKC-QIDMFYOTSA-N
+CN(C)[C@@H]3CC[C@H](COC1=CC=C(C=C1)C2=CCNCC2)C3,3B3A246AE24B79C5_8DD1DEEAA01E2A31_6035_UN,8.608555,00000000000000000000000000000000000000000000000000100000000000100000000000101000001001100001010010111000100011010100101001100011110001000110001101011101110111101111110,KCGRHORJFWJPAF-MAUKXSAKSA-N
+N(C1=C(C=C(C=C1)SC#N)F)C(C3=CC2=C(OCCNC2)C=C3)=O,CFAF4AC91E33291B_BD3CA579AB2AC158_6038_DP,8.608515,00000000000000000001000000000000000000000110000100000000010100001000000000000000011000111000100101001100110101110100011011000100110111110110001011010011111011110111110,MDXWEKYEAUJOKV-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[N](C(=C2)C3=CC=CC=C3)C[C@@]45CCCN[C@H]4CCCC5,F252E14A6E1846DB_861A3F44F13D1299_6034_DP,8.608419,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101010011000010101100110100011000001011100100110000100110001011011011010110100111010,DDEXGNKIMCTKDW-BJKOFHAPSA-N
+CN(C)[C@@H]1COC[C@H]1OC2=C(C)C=CC(=C2)C3=CN=CC=C3,57209B58B09AE4C3_E812660FC744FB6A_6035_UN,8.608357,00000000000000000000000000000000000000000000000000000000010000100100000010100000000101100100010111100000000011010100100011100111010011000110011111001110110011111111110,LUCXNWFSKAADEI-SJLPKXTDSA-N
+CC(OCC2OCC1(CCNCC1)C2)C3=CC4=C(C=C3)OCCO4,245783E9F8B6E2CF_3492E34456295A09_6039_DP,8.6083355,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100001000010101100110001011100101011000010110010000110100011110001110101111111110,GGXHMCNMHCXBCQ-UHFFFAOYSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=C(N)C=C(C=C2)C(F)(F)F,FA678B921D2C800A_8BE226C711D2C6FB_6035_UN,8.608269,00000000000000000000000000000000000000000010000000000000000000000000000000100001101111100001010111001000001110011100100001100011010111110110001110001111110011101111110,OLHDOPBBFAVPFD-ZYHUDNBSSA-N
+CC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(COC)C(=CC=C2)C)Br,51CBAB4B5C32F8E7_981C02A267CD2929_6026_UN,8.608225,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000111010011001000010001101001001110000001110001001111000010011101111010111111111110,BQMRORAXCWHJNY-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NC2=CC=CC(=C2OC)C3=N[N](C=N3)C)C#N,9E91DBB2D5557B93_B25A526D0B237ACE_6041_UN,8.608158,00000000000000000000000000001000000000100100000000001000000000100100000000010101100100100000011111000000000001000101000011111111000001010100011111101111110111111111110,GTAYWMOEZBGFHH-UHFFFAOYSA-N
+C[Si](C)(C)OCCCNC(=O)C1=CC=C[N]1C2=CC3=C(C=C2)OCCO3,9833DB3D36E76A44_9F5807B8D55141B4_6038_UN,8.608139,00000000000000000000100000000010000000000000000000000000010000100100000010110001001101100010110111101110110011111100111011101110000011010110111011111111111111111111110,XZKXKZFNDLGFFT-UHFFFAOYSA-N
+O=C1C4=C(N=C(N1CC2C(CCNC2)(F)F)CN3CCNCC3)C=CC=C4,1EC86934F70B47C8_1445292B053A4A5B_6034_DP,8.608097,00000000000000000000000000000000000000100010000000000000000000000100000000010101101001110011100001101100110100111100011011100101110100100110001111011011011110100111110,UYYKXGSTIQLXJH-UHFFFAOYSA-N
+C1(=NC(=CC=C1)CC#N)NC3=C2C=CN=CC2=C(C=C3)[N](=O)=O,2675EC5EFB38F0B8_D3263B6FB5A72C8E_6041_UN,8.607951,00000000000000000000000010000000000000100100000001000000100000010100001100000100100000000001001000100110010000010000000111101100001001010100001001001001000110110111110,NDCZHNJOBOADNV-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C,590BF54A8359DE77_B9CB9083C31E8287_6041_UN,8.607709,00000000000000000100100000000010000000100000000000000000000000100100000000110100101101100011010010101000000010011101101011100111110001010110011101011111110111101111110,ORXIPMMHMJHCNZ-NFBKMPQASA-N
+CO[C@@H]3C[C@@H](COCC1=C(C=CC=C1)N2CCCC2)NC3,F2F0EDA6AC007D66_2AD15B3536ADD6A7_6039_DP,8.607645,00000000000000000000000000000000000000000000000000000000000000100000000000010000001101100011010111001000100001010000101011100011110011010110001110011011110111111111110,ZRMYOCUBGJKQLH-JKSUJKDBSA-N
+CC1=C(C=NC=C1)N[C@@H]2CCN(CC)[C@H]2C3=CC(=C(C(=C3)F)F)F,23CB81C1CE685B0D_3E9E8FBE6E431B25_6041_UN,8.60711,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011000010101000100110010010101011100100110001110110001011011111010110101111010,QUPWKCJTFHGKSP-QAPCUYQASA-N
+CC1=C(C4=C(N1CC2(CNCC2)C3CCOCC3)C=CC=C4)C5=CCNCC5,77A0FD7EA6BE9487_6A5F69AFA93BF51D_6034_UN,8.607035,00000000000000000000000000000000000000000000000000100000010000100110000000011000101101100011000010111100110011011000101011100100110110000110001011011011010111101111110,WIAOZARQBLVVMG-UHFFFAOYSA-N
+N(C2=C1CNNCC1=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4,368530A20F96D302_6F77230BFE83C630_6038_UN,8.60655,00000000000000000000000000000000000000000000000000001100010100001000110010000000111000001011101000101100110001110100011011001100010111010110001011110001111111110111110,QBJFXIYROPZJJE-UHFFFAOYSA-N
+CC3(C)C(OC1=CC=CC2=C1CCNC2)C4CCOC34,2022A2789542FFE3_51C1C5F14CDDF265_6035_DP,8.606516,00000000000100000001000000000000000000000000000000000000010000000010000000100000001100100101000010101100110011011100001011000011110010000110000111010111110001111111110,LDUMVZXGJQUUNL-UHFFFAOYSA-N
+COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C3=CC=C([S](N(C)C)(=O)=O)C=C3,199B39607B648F25_C3D0014D17DF5D6A_1171_UN,8.606049,00000000000000000000000000001000110010000000001100010001001111101101000001100000010100111000011011000010001101001101010011111111001000101100111111101110110111111111110,JZUNQSLDTBGDDM-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)CN2CCOCC2)CCC#C[Si](C)(C)C,6FE2306001DDA967_46E645B46A162C08_6039_UN,8.606011,00000000000000000100100000000010000000000000000000000000010000000000000000110000000001100000010100101000000011011000001011100010110010000110010001011100010101111111110,PEFPPVSMZAVRHL-UHFFFAOYSA-N
+FC2=C1N=CC(=CC1=CC=C2)N[C@@H]3C[C@H](OCC(C)C)CCC3,2EECFD9721DB59A2_98250505C9906499_6041_UN,8.605894,00000000000000000000000000000000000000000010000000000000000000000100000000100001000000010011000001100100110101010001001001000111110011110100001101010101110111101111110,UOEVZMYGYFWUIH-DOTOQJQBSA-N
+C1(=CC2=C(C=C1)OCC2)NC3=NC=C([S](N(C)C)(=O)=O)C=C3,274CA329F42DB710_6E7CAA7B2BB23B10_7022_UN,8.6058655,00000000000000000000000000000000110000100000000000010001011111001101000001100100110100101001011011100110011001001100011011101100001011011100001011111101110011111111110,NBLWWAKLSNQPLT-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)[N](=O)=O)NC2=CC=CC3=C2CNCC3,37FED91D041FF382_9F893F5A84A8F787_6041_DP,8.60586,00000000000000000000000010000000000000000000000001000100100000010000001100000001101000100011011101101110110000010100001101101111111101010110001111111011110011111111110,ROFIWCIHQZPINT-UHFFFAOYSA-N
+C[C@H](OC1=C2C(=CC=C1)CNCC2)CN3CCNCC3,D0AD4D1D51A54689_C0F689F0005A2B63_6035_UN,8.605613,00000000000000000000000000000000000000000000000000000000000000000000000000010001001001100001000100101100110010010101001011100011110110000110001111011001110101101111110,RWDPQZJWIMXUPK-ZDUSSCGKSA-N
+C2(=C1C=CC=CC1=NC=C2C#N)NC(C)(C)C3=CC4=C(C=C3)OCO4,3EAB2DF84FA155B3_807D6360B1FB31CD_6041_UN,8.605582,00000000000000000000000000001000000000000100000000000000010000000110000010100000100100000000000010100100010001001100000011010100000001010100001011000111110011111111110,CWOILJWCIGOBLX-UHFFFAOYSA-N
+C1(=CC3=C(C=C1)CN(C2CC2)C3=O)NC4=C(C=CC=C4)CC#N,ED2DD4B71D2EEA71_C4411185BB7CA04A_6041_UN,8.605548,00000000000000000000001000000000000000000100000000000000000000100000000000010000000101000010100010001100010000110000010001100101110001010100001111011011011110100111110,WAOAZANYQPDLNG-UHFFFAOYSA-N
+COC(=O)C1=CC(=C[NH]1)NCC3=CC2=C(N(C)CCC2)C=C3,6768C29B23C275B9_60703BF88A78F3A5_6041_UN,8.605455,00000000000000000000000000000000000000000000000000000110000000000100000000010001101101100001010110101100010010010001101011110110100101010110001011011101011111111111110,PUMWHHBENILYJH-UHFFFAOYSA-N
+O[C@@H]2C[C@H](OC1=C(C=CC=C1)SC(F)(F)F)C23CCOCC3,2A06385B3CEED9A4_8F949EDD872077CE_6035_DP,8.605169,00000000000100000000000000000000000000000010000000000000010100001010000000000000010000101111000000100000111101001100001000000011110010100111000111110010110001010011110,PEHFLBNXVFBHAZ-OLZOCXBDSA-N
+C2(=C1OCCCC(C1=CC=C2)=O)NC3=CC=CC(=C3)C4=CC=C(N(C)C)C=C4,15E0040F493E52A6_25651DB6B44A6592_6041_UN,8.60501,00000000000000000001000000000000000000000000000000000000010000100000000000100000000001100101010100000100010001000100001000100101000011010100001111011101111011111111110,KWKWWEGPDQQIRR-UHFFFAOYSA-N
+COCC(C)(C)CNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCO3,84D5BD9B45F702FD_7108C8B27400EF6C_6038_UN,8.6049385,00000000000000000000000000001000000010000000000100000000010000100110000010100000111100101010110011001100010011101101010011010110000000000110111010100101111111111111110,UNLXIFLUONPVOM-UHFFFAOYSA-N
+N3CC(OC1=CC2=C(C=C1)CCC2)(C3)C4=C(C=CC=C4)F,6D5DC29D94EF73C1_72D3E738458A6A54_6035_DP,8.604865,00000000100100000000000000000000000000000010000000000000000000100010000000000000001000110010000110001100010100001100001001000111010010100110000111010011110001100111110,GDMLGUFOXQUGGQ-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C3=CC2=C(C=CC=C2)N3CC4(CCC)CNCC4,27638A99248C3F3E_E0B26A4B3F0C5EE8_6034_UN,8.6048565,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011000010001100110110011011001011100100110000100110001011011011010110101111010,LSARYAPISKRAOF-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1)C(F)(F)F)CC2=CC(=C(C=C2)SC)OC,6395AE4C90DF8551_A0036414F9721A04_6039_UN,8.604694,00000000000000000000000000000000000000000010000000000000000100001000000000000000010000101000010000000000001101001100001000000111010010100010000111010110110101011011110,UIHGNXWBMNGWFD-UHFFFAOYSA-N
+CCC4(COCC1=CC(=C2C(=C1)OCO2)C3=CN=CC(=C3)F)CCCN4C,513AFB0156BD012A_6B05231593EAFF65_6039_UN,8.604673,00000000000000000000000000001000000000000010000000000000010000100110000010010000000101110000010110101100010111011111101011110110110000100110001011111110110111111111110,ZHQKEAKNNWGKNF-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NCCOC2=CC3=C(C=C2)CCC3,F3642C8FAD65F8B4_60F18DAB49DEE767_6026_UN,8.604561,00000000000000000000000000000000110000000100000000010001011111001001010011000000011100001000001110001110111001011100011000001111011010001110101110111001110111110111110,XDRZHJJXBXSUCU-UHFFFAOYSA-N
+CC(C)(OC1=CC=CC2=C1N=C(C)C=C2C)C3COCCN3,62DF5431140FF1B6_C98A9F3D43B9A4B8_6035_UN,8.604115,00000000000000000000000000000000000000000000000000000000010000000110000000100000001000100101000100101100110011011100101011000111110010000110011101010101110011111111110,HCZZOFHJMASAAF-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)NC2=CC=C(OCCOC)C=C2)C#N,6AC371143B8CBEBE_ED28AE04282D7A6B_6041_UN,8.603927,00000000000000000000000000000000000000000100000000000000000100001000000010000000010000101000010000000000000001000101101000000111000011010010001111010111110111111111110,PLCVOWPHABYRJS-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)N=C=O)NC2=CC=C(CCSC)C=C2,9687B1F930214674_BB4600557C3D8BC4_6041_UN,8.603695,00000000000000000000000000000000000000000000000000000000000000000000000000000011000000101000010000000000000000100001111100000100000001010000001011010111011110101111110,RKXVKOZRJVLWSY-UHFFFAOYSA-N
+NC1(CCNCC1)CCOC2=CC(=C(C=C2)C(F)(F)F)CN,4F8AE0121A4050FE_99AD018BE9096512_6035_UN,8.6032505,00000000000000000000000000000000000000000010000000000100000000000010000000000000101010100011000001101000101101011100001001000011110111100110001111010011110111100111110,JQFMDUHXMVNHHM-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NCC(=C2CNC2)F,381E3E47FF99BF60_71420FE0DF2C87F2_6041_DP,8.603058,00000000100100000000000010000000000000000010000001100000100000010000001100001000101000110011001000011010000100000010000101101000111101110110001010001011010110111111110,MJWNQMUHXRTFDM-UHFFFAOYSA-N
+N[S](=O)(=O)C1=C(C=C(C(=C1)C2=C(C=C(OC)C=C2)OC)C#N)F,4688E377B4991514_67F4129A0289E780_6004_UN,8.602979,00000000000000000000000000000000110000000110000000010001001111101001010001000000010010011100011000000010001100001100010000001111001000101000101111101111100011011111110,LPMVOILBOWSAHB-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CCC=C)NCC(N2CCC(N(C)C)CC2)(C)C,2E41AB94DB5F2576_73033306E76EF228_6041_UN,8.602899,00000000000000000000000000000000001000000000000000000000000000000010000000110001101001100001010000111000000010011001101001100000110001010110011001011101010110101111010,IJWIHURYGAJHDJ-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)NCC2=CC(=C(OC)C=C2)C#N)CC#N,3A69A430520A8557_35D563AB09EA95B8_6041_UN,8.60284,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000000001010001001000000000010100100000000111000001010000001111000111110111101111110,OLQFZPMSIRKVHW-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)[N](=O)=O)NC2=CC3=C(C=C2)C=NS3,C03C38191D9A7B8B_B8CCE28AFB691CA7_6041_UN,8.602823,00000000000000000000000010000000110010000000000001000000100000010101001100000000010100101010011011000110010001000001000111101110001001010100001011101011010111111111110,FCIJJDSOXUTMQX-UHFFFAOYSA-N
+CC(C)(COC1=C(C=CC=C1Cl)N2CCNCC2)C#N,184CF9EECFCE8C91_F0AB452983EE7135_6035_UN,8.6025505,00000000000000000000000000000000000000000100000000000000000000100010000000110001001001110001000101101001100101011101001011100011110001110110001111011111110111101111110,OXFYIEYVNHXBAA-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2=CC=C(C=C2)N3CCCC3,036D5199C6B71AF4_9406022A51241C8F_6041_UN,8.602491,00000000000000000000000010000000000000000000000001000000100000110000001100010000000101100010001011001010000001010010101101101110011001010110001011111011010111111111110,HYMFZSLDQNNKJA-UHFFFAOYSA-N
+N3C[C@@H](COC2=CC=C(C1=NC(=CS1)C(C)(C)C)C=C2)[C@@H](C3)C(F)(F)F,1849B4DC0CCBF7A5_F4753E2B893FB509_6035_DP,8.60246,00000000000000000000000000000000000010000010000100000000000000100110000000100000011100101011000011001000001101001100000011000111110000100110011100000111110111101111110,FEQFDGKLNGQAGD-DZGCQCFKSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=CSC(=N2)C3=CC=CO3,41E02C3CA5E1A7B3_E837F14E1DC24A99_7022_UN,8.602382,00000000000000000000000000001000000010000000000100000000010000100110000000100001011100101001010110001000000001011101000011010111000001010110011110100111110111111111110,LNNWXADSUQSIKR-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C(=CC=C1)Br)C#N)N4CCC2(CN(C)C3=C2C=CC=C3)CC4,A24869DD8691ABF6_A0769D10C0DCAC1A_6026_UN,8.602316,00000000000000000000000000000000110000000100001000010001001111001011000001010000010101111000011010101110011110011001011011101100111000111110001011011010010010111111110,LMYZZPFIUQKJKK-UHFFFAOYSA-N
+CC(C)(C)C1=CC(=C(N=C1)NCC2C3CCOCC23)C#N,CC31783B50BB75C9_CA7C037A495B47EB_6041_UN,8.602215,00000000000000000001001000000000000000100100000000000000010000000110000000100100101000100001000000101000010001001000001011000000110011010110011011010111010111101111110,XIYSVJLQQGTFLR-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)[N](=O)=O)NCCC2=NC(=CS2)C3=CC=C(OC)C=C3)C,E21EB7397BFD24F4_471B7B31F2C29024_6041_UN,8.601724,00000000000000000000000010000000000010000000000101000000100000110100001100000001111100001000011011001010100010010100001111101111001001010100011111111111110111111111110,FHLHUIHYJSVLHW-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=CC(=C(OCCOC)C(=C3)Cl)Cl,589A7635E49105E8_AD41E8FCBEB9B897_7022_UN,8.601302,00000000000000000000001000000000000000000100000000000000000000100000000010000000000000110000010000000001000101000101101000000111000011110010001111010011110111111111110,DUTNXAIBIASKSI-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)C=C(C#N)C=C2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3,C2FFF1B45D45D060_2D0D3A82EE8E50CF_6041_UN,8.601258,00000000000000000000000000000000110000100100000000010001001111001101000001100100011000101000011000101110011000001000010001101100001001011100001011001111010110111111110,ONMJQUFGJXRPRC-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)Cl)F)CC3(C)CCCNC3,59D0DC493E71CC7B_B37EE5A90D2D9F8F_6034_UN,8.601251,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011000010101101110110011001101011100100110100100110001011011011010110101111010,WRDDHOCXRWZVTE-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)F)F)CC3(C)CCCNC3,7C4201042EB41D2C_373833308821C308_6034_UN,8.601241,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011000010101100110110011001101011100100110100100110001011011011010110101111010,URTHTYLSDAJYCD-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C(=C2)F)Cl)CC3(C)CCCNC3,4CEE1D6BC47CCEBE_D14C75B3CEC4B091_6034_UN,8.601235,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011000010101101110110011001101011100100110100100110001011011011010110101111010,ZGGKYQJIRZEGMG-UHFFFAOYSA-N
+FC1=CC2=C(N=C1)C(=CC=N2)NC3=CC(=C(C(=C3)F)N4CCCCC4)F,7B6F01EDAEC27943_FD5BCCDA9CAC9CDC_6041_UN,8.600927,00000000000000000000000000000000000000000010000000000000000000100100000000010001100001110000000000101100010100010000001011100100110001110110001011011011010010100111010,WCXCYOSLFKFILH-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NC3=CC(=C(C(=C3)F)N4CCCC4)F,545B6E8C4DA9A0AD_088818CFEEA28D3C_6041_UN,8.600487,00000000000000000000000000000000000000000110000000000100000000100100000000010000100101110000000010001100010100010000001011100100010101110110001011011011010010100111010,MKQIXUPBGCQOLY-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N=CC=C2NC4=CC=C(OC3=CC=C([S](C)(=O)=O)C=C3)C=C4,DB9E3DDB0719F0E8_1BEB43D7054A7551_6041_UN,8.6002445,00000000000000000000000000000000000000000000000000010001001111001101000001000000110000001000010000100110010000001100000001001111001001011100101101101101100011111111110,RCJPDMAIEBEKHA-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NCC3=C(C=CC(=C3)F)N4CCOCC4,076CDDE45D00010F_AAA3A76FD8C44D69_6041_UN,8.600224,00000000000000000000000000000000000000000110000000000000010000100100000000010001101101110000000110101100010101010000001011100100110111110110001011011011010111100111110,CJMYPDSELFVJFB-UHFFFAOYSA-N
+COC2CNC(C)(COC1=CC(=CC(=C1)Br)OC(F)(F)F)C2,32310EC1387CAEE3_D4553DDDB6453B55_6035_UN,8.600185,00000000000000000000000000000000000000000010001000000000000000000010000000000000001100010111010111001000101111011101100001000011110010100110000100100101110111111111110,NCWCMQVVGFLWNZ-UHFFFAOYSA-N
+COC2CNC(C)(COC1=CC(=CC(=C1)Cl)OC(F)(F)F)C2,DDF95E24134E9103_4476EFF67348E584_6035_UN,8.600166,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100010111010111001001101111011101100001000011110010100110000100100101110111111111110,VWVBZMFUIJGHRH-UHFFFAOYSA-N
+C1(=CSC(=C1)CC#N)NC2=CC(=C(C=C2F)[N](=O)=O)C,DD06B8AF869E01CE_84D2562D9937000E_6041_UN,8.600097,00000000000000000000000010000000000010000110000001000000100000010000001100000000010100011001001010000010000100010000000100101100001001110100001010001011000110111111110,AHQAQBMJEBYPGK-UHFFFAOYSA-N
+FC2=C1N(C=CC1=CC=C2Cl)CC3(CN)CCOCC3,57E91F395F3C38B4_12DDF4F82F3B25EB_6034_UN,8.600027,00000000000000000000000000000000000000000010000000000000010000000110000000010000101111110011000010101101010101001000001011100100110010100110001011011011010111100111110,GNCDBAXQVKNNDX-UHFFFAOYSA-N
+N5CCC4(CC(OCC1=NC=C(O1)C3=C2C=CC=CC2=CC=C3)CO4)CC5,4588CF3883433093_DE063A2E8D518C6E_6039_DP,8.599982,00000000000000000000000000000000000000000000000000000000010000100110000010000000001100100101100111101100110001111000011011000111110010000110001101110001110111110111110,IXEMAOMNKSOQCW-UHFFFAOYSA-N
+CC4(C)C2=C(C1=CC=C(C)C=C1)C5=C(N=C2C3=C(C=CS3)O4)SC6=C5CCC(C6)(C)C,65B990B022F84435_BB0FD11755DAE6A6_2201_UN,8.599867,00000000000000000000000000000000000010000000000100000000010000100110000000100000010100001000000011100100010000001101101011000100110000000100010011010100100011001111110,DLYAVJZLEYAFOM-UHFFFAOYSA-N
+COCCC(C)(COC1=CC(=CC(=C1)F)C2=CN=CC=C2)C=C,264383012796256D_7A98FC8EE4996A14_6035_UN,8.599851,00000000000000000000000000000000001000000010000000000000000000100110000000000000000000110000010000110000000101001101101001000111010010100110000101010100110101011111110,OQIBQRMKTBAVNK-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)F)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,545A312F765902B5_F987B045BCB3728D_6041_UN,8.59985,00000000000000000000000000000000000000100010000000000000000000000100000000100100000001110000010101100000000100000100000001100111000001110100011111001111100011111111110,ZEGKXUNENDIUSM-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)CC#N)NC2=CC(=C(C=C2)N3CCNCC3)C,A83B8D542EC5AA84_BBDDB133B615D9CA_6041_DP,8.5996475,00000000000000000000000000000000000000000110000000000000000000100000000000010001001001110001000000101000100110010000001011100100110101110110001011011011010110101111010,JCWYHMZINIGRJH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCOC2=O)NC3=CC4=C(C=C3)C(N(C)CCN4C)=O,3E360FE2DE4DA38D_6F04B718C152D77C_6041_UN,8.599616,00000000000000000001000000000000000000000000000000000000010000000000000000010001100001100000110001101100010001110001111011110101000011011110001111111111011011111111110,ZRFCYXFVOXMYIG-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCC2)C#N)N[C@@H]3COC[C@H]3N(C)C,489E455343D7853A_269F80B7D6FB2599_6041_UN,8.59946,00000000000100000000000000000000000000000100000000000000010000100110000000100001100101100011010111100000100011011000101011100000010001010110001000011111010011101111110,YDZLXUBBRHRVDV-ZIAGYGMSSA-N
+[NH]1C=C(C2=C1C=CC=C2C#N)NCC34COC(C)(CC3)C4,BDDF4CC10043BB9E_2CE09C1C15C604FF_6041_DP,8.599318,00000000000000000000000000000000000000000100000000000110010000000110000000000001101100000011000011101100010011001001101011000100110111010110001001010001110111101111110,NCODZBAXXGODAI-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NCC3=C(OCCOC)C=CC=C3,CCEB2E5A0EB6386E_3FB1807D519CB60B_6041_UN,8.599028,00000000000000000000000000000000000000000100000000000000000000000000000010000000001000100000010001001100010001000101101000000111100011010010001111010011110111111111110,URUBRSSTMZIYQH-UHFFFAOYSA-N
+COC1=C(C=C(C=N1)[N](=O)=O)NCC2=CC3=C(C=C2)SC=C3,040FA521A523FE32_45A72E0AA7E84F2D_6041_UN,8.59895,00000000000000000000000010000000000010000000000001000000100000010100001100000001111100001000111111101110010000100100010111101111001001010100001111101011010111111111110,VLWNQDYVRNHRJR-UHFFFAOYSA-N
+CCOC1=C2C(=CC=C1)N(C=C2CCN)CC3CNCCC3(F)F,26F83D8581292CBB_31B84B809E6BED2E_6034_UN,8.598532,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111110011000011101100110101011110001011100111110100100110001101011011110111101111110,FYPASCLDNQBNLH-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(OC)C=C3)C#N,E3BB75A7096BAB86_3DB61A6F2012D967_6035_UN,8.598259,00000000000000000000000000000000000000000110000000000000000000100010000000000000001100100011010111001000101100011100001001000111010010100110001111010011110001111111110,KECURZUWWVTANF-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NCCCN3C4=C(OCC3=O)C=CC=C4,BDBA88ADD7A67660_D0F53272E04C80B3_6041_UN,8.598221,00000000000000000000000010000000000000100010000001000000110000010100001110010101101001010010101101101110110101110100011111101101111011111110101111111011111111110111110,HGTNIXKOTTWLNJ-UHFFFAOYSA-N
+CCCCC#CC2(OC1=C(C=C(N)C=C1)C(F)(F)F)CCCCC2,D7E2E3AA4481B497_D9B073C4EC2DA6F9_6035_UN,8.598158,00000000000000000100000000000000000000000010000000000000000000000010000000000000000010000000000000000000001100001111101000000011110011110000000111010011100111101111110,QEQRBZHZGUJMIM-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2)NC3=CC(=C(C=C3)F)N4CCOC4=O,2ED856AB1F60DB1E_C4D1EFF1CDE62330_6041_UN,8.59806,00000000000000000000000100000000000000000010000000000000010000100000000000010000100101010001000110001100011101110100011011110101000011110110001111111011111011110111110,JSYVUXQQVOGYHO-UHFFFAOYSA-N
+COCC[N]1C=CC2=C1C=C(C=C2)N[C@@H]3COC4=C(N(C)C3=O)C=CC=C4,DCCE76D1FB4E5A48_4C7CFE409E726AE3_6041_UN,8.597734,00000000000000000001000000000000000000000000000000000000010000000100000000010001100101100100110111001100110011110101111011100111000011010110001111111111111111111111110,XCSRRVYJVBOGFP-QGZVFWFLSA-N
+COCCC1=CC=C(C=C1)NC2=C(N(C)C)C=CC=N2,3EC8B466866171EA_DFDEB0E3066CA17A_7022_UN,8.59739,00000000000000000000000000000000000000100000000000000000000000000100000000100101000001100000010000100000000001000001101001100110000011010100011011011111010111101111110,XDRNUJYMSWRGGM-UHFFFAOYSA-N
+CCCC1=C(C=CC=C1)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CSC,96741C47B41C8317_02360319291596A6_6026_UN,8.597276,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000111001011000000011001100001011011000001100001001111000000011011111010110111111110,NOIPHOMNZIZMKW-UHFFFAOYSA-N
+C1(=CC(=NC=C1)Cl)N[C@H]2[C@@H](C2)C3=CC=C(C=C3)OC(F)F,6A9CA1FBC66E1C49_726F4DCA80D0F812_7022_UN,8.597211,00000000000000000000001000000000000000000010000000000000000000100100000000000000100000010010000000100001101100010100000001000111000001110100001101000011100011100111110,JZWVOXYZCFEJSB-QWHCGFSZSA-N
+CC1=C(C=NC=C1NCCCC2=CC=C(OC)C=C2)[N](=O)=O,744980F07F3A80C1_FC8C94074709CE15_6041_UN,8.597026,00000000000000000000000010000000000000000000000001000000100000010100001100000001101000000010011001101010100010010100001101101111001001010100001111111111110111111111110,MQEVTTXBEMCXTR-UHFFFAOYSA-N
+COC2=C1C=CN(C1=CC=C2C)CC(C)(N3CCNCC3)C4=CC=C(C=C4)Br,1AFFABA52A05634A_872680ECC2AA6B8B_6034_UN,8.596956,00000000000000000000000000000000000000000000001000000000000000000110000000010001001101110001010011101100110110011101101011100111110000100110011111011111110111101111110,XDHQBTBWZDVWNK-UHFFFAOYSA-N
+CCOC4CC(COCC1=CC(=C2C(=C1)OCO2)C3=CN=CC(=C3)F)C4,0DB676A062BC7AAB_B3951618A5D7D338_6039_UN,8.596855,00000000000100000000000000001000000000000010000000000000010000100100000010000000000100110000000010100100010111000110000011010111110010100110100111100000110101011111110,LSJCWYVEINOCCN-UHFFFAOYSA-N
+N(C1C(N(CC1)CCF)=O)C(=O)C2=CSC3=C2N=CC=C3,7C4F04DBBE2D4954_156E01BB58CC961B_6038_UN,8.596809,00000000000000000000000000000000000010000010000000000000000000000100000000010001110101101011100111101100110000110000011011100101110001101110001100011011011110110111110,WDKNUSUTVRWCFD-UHFFFAOYSA-N
+BrC1=CC2=C(N=C1)[N](C(=N2)C3=CN=CC=C3)CCC4(CNC4)CN,E317797CBA17F738_AED9C3FE88D80720_6034_DP,8.596535,00000000100100000000000000000000000000100000001000000100000000100110000000010101101111110011000010101100010100011000001011100100110100100110001011011011010110100111010,AFRWXHLVYQWYDT-UHFFFAOYSA-N
+N4C[C@H]3C(CNC(C1=CC=CC(=C1)C2(CNC2)F)=O)[C@H]3C4,83617004F24D1C35_4BB2F704E3BEAE35_6038_DP,8.596337,00000000100100000000001000000000000000000010000000000000000000100010000000000000001100110011100010101000010100101000010011000000110100100110001001000001011110100111110,ATQONTQSNDKLAC-PBWFPOADSA-N
+NC[C@@H](OC1=CC=C(C=C1)C2NCCNC2)CN4CCC3=C(C=CC=C3)C4,51E8E311DC8AD96A_19360268CADB0F05_6035_UN,8.596167,00000000000000000000000000000000000000000000000000000010000000100000000000010001101011100011000100101100110000010100001011100111110110000110001111011001110111100111110,OSIUGOOXPVRKGW-ZMFCMNQTSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=NC=C2)N4CCN(C3=C(C#N)N=CC=C3)CC4,302C012BF9EDEA57_72533EDB66ACBB43_6026_UN,8.596063,00000000000000000000000000000000110000000100000000010001001111101101000001010001110001101000001000101110011000011000011011101100111001011110001011011010010010110111110,VSQWIDMVZDZTEN-UHFFFAOYSA-N
+COC[C@@H]1NC[C@@H](C1)OC2=C(C=CC(=C2)C(C)(C)C)N,93DE241840838BA0_BA24A12396E8BE73_6035_UN,8.596001,00000000000000000000000000000000000000000000000000000000000000000010000000100000001110100011010111001000100011011101000001000011110111010110011110000111110111111111110,HWFNNDPVZAUAFG-CHWSQXEVSA-N
+N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)NC4=CC5=C(C=C4)C=NC=C5F,495C1692032017AE_1CF172FF1B999E99_6041_DP,8.595952,00000000000000000000000000000000000000100010000000000000000000100110000000010101001101110011000010101100110100011000001011100100110101110110001001011001010010100111010,QXQUMEZCKJMAIG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)C[S]2(=O)=O)NC4=CN=C(OC3=C(OC)C=C(C=C3)C)C=C4,5FBC4D6F6971F02D_DE99DF94956B1A54_6041_UN,8.595886,00000000000000000000000000000000000010000000000000010001001111000101000011000001010100001100110010100110010000101100010011001111001011011100101111101111111011111111110,JXSAAPUBFPCMQL-UHFFFAOYSA-N
+CSCC(C)(C)OC1=C(C)C=CC=C1C3=NC2=C(C=CC(=C2)Cl)[NH]3,0ECD9BC29DCFA5AF_FDBE70F6D8FB3C68_6035_UN,8.595693,00000000000000000000000000000000000000100000000000000000000000100110000000100101000100111000010011000101010100001101000011000111000010100100011111000111110111001111110,DONPRQQEZHJZCQ-UHFFFAOYSA-N
+CSCC(C)(C)OC1=C(C)C=CC=C1C3=NC2=C(C=CC(=C2)F)[NH]3,02543C7FD814B7B9_07BF06A9C4632578_6035_UN,8.595691,00000000000000000000000000000000000000100010000000000000000000100110000000100101000100111000010011000100010100001101000011000111000010100100011111000111110111001111110,BWXOARJBEQHCHQ-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[N](=O)=O)NCCC2=C3C(=CC=C2)N=CC=C3,A0D30D4581619E7E_BFBF8FFEFE4C7289_6041_UN,8.595484,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000000000011100101110110000010100001101101111001001010100001111111011110111111111110,NVEBPVXKATYKSA-UHFFFAOYSA-N
+ClC1=CC=C(C=C1)[S](=O)(=O)NCCC2=C(OC)C=CC3=C2C=CC=C3,350CBF0FB979E00C_082EBA8DC61B0D28_6026_UN,8.595132,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000011000011000001111111110011100011000001111001000101000000111111011110111111111110,DIQWDMMUOLYLSV-UHFFFAOYSA-N
+FC1=CC=C(C=C1)[S](=O)(=O)NCCC2=C(OC)C=CC3=C2C=CC=C3,A7054F0F49E9E6AB_9D15B2FF683A5536_6026_UN,8.595116,00000000000000000000000000000000110000000010000000010001001111001001010001000000011000011000011000001110111110011100011000001111001000101000000111111011110111111111110,HBEGQBAEYLWPBO-UHFFFAOYSA-N
+COC2=C1C=CN=CC1=C(C=C2)NCC3=CC(=C(C=C3)[N](=O)=O)F,C6C26C603FEB1CFD_4BF9A4ED31DBE2B8_6041_UN,8.595026,00000000000000000000000010000000000000000010000001000000100000010100001100000000101000010000011000101110010100000100000101101111001001110100001111101011110111111111110,SILHVVNOVAHVKH-UHFFFAOYSA-N
+CC(C)OC1=C(C=C(C=C1)C=CCCC2CCNCC2)Cl,B253B6F388B592B2_D94803C7EA3F2A6B_7019_DP,8.594982,00000000000000000000000000000000000000000000000000000000000000000000000000100000001000110001000000111001100100010100001001000011110000100110000111010111110101101111110,NDBJQCLHLZFRHM-UHFFFAOYSA-N
+CC2=C1N=CC=C(C1=C(C=C2)NCC3=CC(=NC=C3)N4CCN(CC)CC4)F,DA26D84975731ACD_95BC74901FCA6C66_6041_UN,8.594812,00000000000000000000000000000000000000100010000000000000000000100100000000010101101001110000000000101100010110010010101011100100110001110110001001011101010110101111010,YHEHFPNMXMREHG-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)OCCN(C2)[S](C4=CC(=C3[NH]C=CC3=C4)C)(=O)=O,37C8C0F4F508B5AF_B5D9BD774D436385_6029_UN,8.594774,00000000000000000001000010000000110000000000000001010001111111011101001101010000010100101000001111001110011001011100011111101100111011011110101011111001110011111111110,WXKVPAKTNGAQHS-UHFFFAOYSA-N
+O(C(=O)C2=CC1=C(C=CC(=C1)[N](=O)=O)O2)CC3=CC4=C(C=C3)CNCC4,D93DF6A293DCD16C_0AE03ADB8EA3006C_6031_DP,8.594677,00000000000000000000000010000000000000000000000001000000110000010000001110000000001100100001001010101110110001010000001111111110111001011110101011111001111111110111110,KYDANUZZAXTBDO-UHFFFAOYSA-N
+O(CC(CC1=CC=CC=C1)C#N)C2=CC3=C(C(=C2)Br)CNCC3,DD5B396523029E4A_9E92C88142BB0989_6035_UN,8.594515,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000110001000001101100110101010100001001000111110000100110001111010001110101100111110,RLWAAYVNTCPUDM-UHFFFAOYSA-N
+O(CC(CC1=CC=CC=C1)C#N)C2=CC3=C(C(=C2)F)CNCC3,2B975772EF4DFF92_C7FE0FDA4EE59040_6035_UN,8.594514,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000001101100110101010100001001000111110000100110001111010001110101100111110,LEXVQSWYJJRWAT-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=C[N]2CCC(C)C3CCNCC3)C4CCNCC4,A3F4239372DC4F9D_D4B4A698A0249711_6034_DP,8.594456,00000000000000000000000000000000000000000000000000000000000000100100000000010000001101100001000010101100110010010001101011100100110100000110001001011101010110101111010,KQKJMRNTRULANO-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CCN6CC4=C(C=CC=C4)C5(CC5)C6,BDF15F572505B4B8_3CC85085D19C886F_6034_UN,8.594211,00000000000000000000001000000000000000100000000000000000000000100110000000010101101101100011000010101100110000011000001011100100110000000110001011011011010110101111010,HEMOFPXGXMFFJG-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC2=C(CN(C)C)C=C(C=C2)Cl,1A5C11EE104E42F7_8407899F5AAEE1E3_6026_UN,8.594208,00000000000000000000000000000000110000000000000000010001001111001001010001100000110001111010011000001011001101001001010000101110001001111010011011101111010111111111110,OYSFPPKTAYRNIB-UHFFFAOYSA-N
+CC1=C(N=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)F,C73CE77617F75981_52F0BE5B70A8B4E8_6041_UN,8.594075,00000000000000000000000010000000000000100010000001000000100000010100001100000100100000010010001000100010000100000010000101101100001001110100001011001111000110111111110,BQXABIISWCSDOL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2)NCC3N(CCN(C)C3)C,36232894772927E3_43764A34619D31D6_6041_UN,8.59392,00000000000000000000000000000000000000000000000000000000000000000100000000010001101001100011010000101100010010010001101011100100110001010110001001011111010110101111010,FORYSRLQTQZBHT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CSCC#N)NC2=C(C=C(C=C2)SC#N)F,4A9DEE8F871BCD98_CB86CFF531F12E58_6041_UN,8.593522,00000000000000000000000000000000000000000110000100000000000100001000000000000000010000111000000000000000000100010000000000000100000001110010001011000011010110100111010,WBUSLCRBBJCNDE-UHFFFAOYSA-N
+C1CC(CNC1)C2=CN(C3=C2C=CC=N3)CC4=C([N](N=C4C)C5=CC=CC=C5)Cl,CBC031D28F0DE7CC_FEFC16AF4398A717_6034_UN,8.593156,00000000000000000000000000000000000000100000000000001000000000100100000000010100101101110011001010101101110100010000101011101100110001110110001011011011010110101111010,YQSNEHFWJSFCBP-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=CC=C(CC(C)N)C=C3,60187351FDF6A6E9_59C688BDF720A766_6035_UN,8.593118,00000000100100000000000000000000000000000010000000000000010000000010000000000000001110110011000011001000110101011101000011000011110100100110001100000001110111111111110,KWBRDVYKWYKERF-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)F)SC(=O)C2=CC3=C(C=C2)[NH]C4=C3CCCC4,2B39812C3C6F9FB9_0550D259C729DFD0_6038_UN,8.592975,00000000000000000000000000000000000000000010000000000000000100001100000000000000010100011011000010000100110100010000001001000100110000100100000011010011001010000111110,LHIGQYKQONVKEA-UHFFFAOYSA-N
+C1CC(CCN1)C2=CN(C3=C2C=CC=C3)CC4=CC=C(C=C4)C#CC(F)F,BDC631C8E3105F1E_77EB0AE41693351F_6034_UN,8.5928545,00000000000000000100000000000000000000000010000000000000000000100100000000010000001101100001000010101100110100010000001011100100110000100110001001011001010110100111010,FUTJTGIQKXUWPE-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NC2=CC=C(N(CCC)CCC)C=C2,6FA6370C0CFA6134_53A7623E9B3DD361_6041_UN,8.592823,00000000000000000000000010000000000000000000000001000000100000010000001100000000000001100000011101001010000010010111001100101111111001010010011111111111110111111111110,PRIBXOPORRWERK-UHFFFAOYSA-N
+FC3(F)CCN(CC#CC2=CC=C(CC1(C)NCCC1)C=C2)CC3,A979A108860F10A7_7DD90576FF4EA3D6_2267_UN,8.592793,00000000000000000100000000000000000000000010000000000000000000000010000000010000001101110011000010101000100110011001101011100000110000100110001001011001010110101111010,HRBJCVSUFHQRGM-UHFFFAOYSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C)C=CC(=C3)Cl,BBA2565F7E125AAF_72CD7880BA099590_6035_UN,8.592735,00000000000000000000000000000000000000000000000000000000000000100000000000000000001100110011000011001001000111000100000001000111110000100110000111000011110101101111110,FOENWOQANTUEGB-RDJZCZTQSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C)C=CC(=C3)I,9A869CD8F2AC865C_5663B82F77B37E9A_6035_UN,8.592726,00000000000000000000000000010000000000000000000000000000000000100000000000000000001100110011000011001000000111000100000001000111110000100110000111000011110101101111110,KFKRZWFYKNWMDI-RDJZCZTQSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C)C=CC(=C3)Br,246BDBF61A07EDFC_C5D9FB4D07F89FD2_6035_UN,8.59272,00000000000000000000000000000000000000000000001000000000000000100000000000000000001100110011000011001000000111000100000001000111110000100110000111000011110101101111110,WNHCGYDSWSJICD-RDJZCZTQSA-N
+CC1=NC(=NC(=C1)N[C@H]3[C@H](C2=CC(=C(C)C=C2)C)C3)CC4CC4,7AC248A43A70F2EF_700EA25ECA526E18_6041_UN,8.592718,00000000000000000000001000000000000000100000000000000000000000100100000000000100100000000011000000100000100010010000000011000100010001010100011011010111000110101111010,PEPOGLAARSPEAR-ZWKOTPCHSA-N
+O(C[C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=C(C)C=CC(=C3)F,BC630B53D86EEBA2_55CFC054C7A809A5_6035_UN,8.592714,00000000000000000000000000000000000000000010000000000000000000100000000000000000001100110011000011001000000111000100000001000111110000100110000111000011110101101111110,FIOWIEMKQPSTJN-RDJZCZTQSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NC2=CC(=C(CC)C=C2)C,9E56C5F6C1C943EC_EA3FE359E5FE02CE_6041_UN,8.592451,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000000000011100100010000000000110100101101111001001010100011111101111100111111111110,HSAHDKDUTQPNQB-UHFFFAOYSA-N
+FC1=CC(=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]5[C@H]4CNC[C@H]4C5,E992C293F01A1537_7A0BC44487E6CDC8_6034_UN,8.592424,00000000000100000001000000000000000000100010000000000000000000100100000000010101001101110011000010001000110100010000001011100100110100100110001010011011010110100111010,BBUXIBUPRKXEDH-RNDFSMAPSA-N
+C1(=CC2=C(C=C1)C(=O)CCO2)NCC3=C(CSC)C=C(C=C3)F,628A397925C72556_4850AD36415335A3_6041_UN,8.592423,00000000000000000000000000000000000000000010000000000000010000000000000000000000001000111101010001101100010101000101001000000101010011110110000111010011111111111111110,CALLKALRJQZJKJ-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)CNC(C2=COC(=C2)SC)=O)C3,A5C41C9612108446_0AE4136725073AD9_6038_DP,8.591997,00000000000000000000000000000000000000000000000000000000010100001000000000000000011100101101110011101100110000110000011011000100110100000110001011010001011110111111110,BKVSZOSYQUHSGQ-UHFFFAOYSA-N
+CC(C)(OC1=C2C(=CC=C1)OCCNC2)CN3CC(N)C3,74C26AB0E5F39189_AB1FD00DFFDF7900_6035_UN,8.591816,00000000100100000001000000000000000000000000000000000000010000000010000000110001001011100101000101001100110011011101001011100011110111000110001110011101110111111111110,PZPGMLUCQAHQBH-UHFFFAOYSA-N
+N(C2=C1CNNCC1=CC=C2)C(=O)C3=CC5=C(C=C3)C(=O)C4=C(C=CC=C4)[S]5(=O)=O,BF21B11A52637466_97AD81DD925B7C5C_6038_UN,8.591719,00000000000000000000000000000000000010000000000000011101001111000001110001000000111000001011101000101110110000111000010011001101011101011110101111101001111010110111110,PRZJCAONPFDZKQ-UHFFFAOYSA-N
+OC(=O)C1=NC2=C(C=C1)C=CC(=C2NC3=C(C4=C(C=C3)CNCC4)F)F,E692DDE0FCD49EAF_410B9C4F80878C5E_6041_DP,8.591709,00000000000000000000000000000000000000000010000000000000000000000100000000000001001000110001000100101100110100010000001011010100110101110111001011010011011011110111110,NFLXEOKPYFYBTI-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2Br)C[C@@H]4C[C@H](NCC3=CC=CS3)C=C4,D0D2292F0C746A47_C4B3F0A64FF4EC72_6034_UN,8.591701,00000000000000000000000000000000000010000000001000000000000000000100000000010000011101011001010010011100110100010100000011100111010001100110001100001001110111101111110,OQVFEXKVOOVSEJ-LSDHHAIUSA-N
+N3C[C@@H](OCC1=C(C=C(OC)C=C1)F)[C@H](CC2=CC=CC=C2)C3,D3203CA546910620_25D3ADD39CDC5BFE_6039_DP,8.591348,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100110011010111001000000101000100000001000111110010100110000111000011110101111111110,PYKIAUOBFKRIGT-VQIMIIECSA-N
+CC3(C)[C@@H](OC1=CC(=CC=C1)C2CCCC2)[C@@H]4CCN[C@H]34,6FA2366D900080A9_F26287ECFA9B75D6_6035_UN,8.590959,00000000000100000001000000000000000000000000000000000000000000100010000000100000001100000011000011001000110010011100001001000011010000000100000100010111110011101111110,AMVOEGBMVLBRJY-SQNIBIBYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3CCNCC3)CC4=CC(=C(C(=C4)F)C(F)(F)F)F,F5193CD42D27C0F0_6DF8577FF24E833A_6034_UN,8.5907955,00000000000000000000000000000000000000000010000000000000000000100100000000010000001101110001000010101100111100011010001011100100110000100110001011011011010110101111010,MSGPAUVPJZLSDQ-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3CCNCC3)CC4=CC(=C(C(=C4)Cl)C(F)(F)F)Cl,4E432EE2957A4C2B_9075310222A32D7F_6034_UN,8.590787,00000000000000000000000000000000000000000010000000000000000000100100000000010000001101110001000010101101111100011010001011100100110000100110001011011011010110101111010,YRCFYOJMILYVEV-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(C=C(C(CC)(C)C)C=C2)C)C(F)(F)F,1124B452A64730E8_09BE3B0702032D7E_6035_DP,8.590751,00000000000000000000000000000000000000000010000000000000000000000010000000100000001000100001000000101000101110011111101001000011110000100110010111010111110101101111110,BFKUPXUTJFGGCV-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCC=C)NCC(C)(C)N2CCSCC2,3072C604AEA37EA7_F2C8C57CA4E85343_7022_UN,8.590427,00000000000000000000000000000000001010000000000000000000000000000010000000110001001001101001000000111000000010011001101011100000110001010110001001011101010110101111010,WAMOVYIFIVTMLW-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C(O[Si](C)(C)C)C#N)NCC2=C(N=CC=C2)[N]3C=NC=N3,DA13D2AA0AC02FF6_46540D43CF1C686A_6041_UN,8.590325,00000000000000000000100000000010000000100100000000001000000000100100000000110101101100100000011110101010000000001100000011101111001001010100011111001111110111111111110,HQMXTBCENBXVDZ-UHFFFAOYSA-N
+COCCOC3CNCC(COC2=CC1=C(CN(C)CC1)C=C2F)C3,F4CE44945A5C7332_BC3D114426DA3008_6035_UN,8.589087,00000000000000000000000000000000000000000010000000000000000000000000000010010000001001110011010101101100010101010101101011100011110010100110001111111111110101111111110,PGYBYQMZCHAMGP-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)[N](=O)=O)NC3=CN=C(OC2=C(OC)C=C(C=C2)C)C=C3,CA2D923FE1F97C76_67618702F71A06AE_6041_UN,8.589043,00000000000000000000000010000000000000000000000001000000100000010100001110000001000000000000111000100010000000100100010101101111001001010100111111101111100011111111110,HIPVQVCNABTYTE-UHFFFAOYSA-N
+C2(=C1C=C(C=CC1=NC=C2)OC3=CC=CC=C3)NC4C(OCC)(OCC)C5=C(CC4)N=CC=C5,FC82CD6E3A69991F_6B757B2630F58CC0_6041_UN,8.588762,00000000000000000000000000000000000000000000000000000000000000000100000000000000100000000011000101100100110001011110001011010111100001010110001111110111110111111111110,ZOIXJYAWELVELN-UHFFFAOYSA-N
+N3CCCC(CC1=CC=C(C=C1)OCC2=C(C=C(F)C=C2)C#N)C3,DFA19F1E7A27BA94_4EA15BFA172D1964_6039_DP,8.588488,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110011000000101000100101010100001001000111110000100110001111010011110101100111110,CZLFVFUURTXWAB-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2)F)C(=O)C4=CC3=C(C(=CC=C3F)F)[NH]4,94297241EFC56E82_446F31661E443B04_6038_UN,8.588383,00000000000000000000000000000000000000000010000000000010010000000100000000000001000100010010100111100100110101110100011011000100000111100100001011010001111011110111110,DWCBLAHOHPKQLR-CQSZACIVSA-N
+N3CC(CN)(CCOC1=C(C=C2C(=C1)CNCC2)F)C3,AA13F4E42E7DCCD7_E7FF362DFDD40893_6035_DP,8.588015,00000000100100000000000000000000000000000010000000000100000000000010000000000000101010110011000000101100110101011100001011000011110110100110001111010011110101100111110,APILMJDRKZDICA-UHFFFAOYSA-N
+CCOC1=CC(=C(C=C1)NC3=CC2=C(C=N[N]2C)C=C3)[N](=O)=O,8177A50303E96037_488F05AC2BB9B082_6041_UN,8.587789,00000000000000000000000010000000000000000000000001001000100000010100001100010001100100000000011011000110010001000110000111101111001001010100001111101111110111111111110,LRJYBZORRUPPQK-UHFFFAOYSA-N
+COC3(CNC(=O)C2=C1C(=C[NH]C1=CC=C2)C#N)CNC3,02F0BAFF7A01A3A1_C3B79411D4256C71_6038_DP,8.587672,00000000100100000000000000000000000000000100000000000100000000000110000000000000101100100010110110001100010000101000110011000111100110000110001100000001111111111111110,GYCDYHDEEHFHED-UHFFFAOYSA-N
+O(C1CC(NC1)C2=CC=C(C=C2)F)C3=CC(=C(OC)C=C3)C#N,83FD4780DDA8917A_6A5743509EC7C10F_6035_UN,8.587623,00000000000000000000000000000000000000000110000000000000000000100000000000000000001100010011010111001000100100010100000001000111010010100100001111000011110011111111110,JUOPZUIKUGKMER-UHFFFAOYSA-N
+O(C1CC(NC1)C2=CC=C(C=C2)Br)C3=CC(=C(OC)C=C3)C#N,F07C0902AD44CB9A_AFB3F60F0E866D82_6035_UN,8.58761,00000000000000000000000000000000000000000100001000000000000000100000000000000000001100010011010111001000100100010100000001000111010010100100001111000011110011111111110,SWIDNGVACMYIOR-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NCC2=C(CC)C=CC=C2CC)F,DF0004FC44ACA1DC_5CC22AF0B020B26D_6041_UN,8.587558,00000000000000000000000000001000000000000010000000000000000000000000000000000000001000110001010000001000000111000111000000010111110001110010010111000111110111111111110,HPRYCFQXMLSMBU-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)CC#N)NC2=C(C=CC=C2F)[N](=O)=O,3F1064DFD3CF199E_3D26BEEDBD7EE39C_6041_UN,8.587484,00000000000000000000000010000000000000100110000001000000100000010100001100000101000000010010001001100010000100010000000101101100001001110100001011001011000110111111110,ZBYVOZHJUJWMGL-UHFFFAOYSA-N
+O=[N](=O)C1=NC(=CC=C1)NC3=C2OCCCC2=CC(=C3)F,A7C0CA623BC94AFC_A2F06F06D901A81D_6041_UN,8.587424,00000000000000000000000010000000000000100010000001000000110000010100001100000100100000010001001100100110010101000100001111101100101011110100001011111001110011110111110,MNNRBYJPKUUPTF-UHFFFAOYSA-N
+NCCC1(CCNCC1)COC2=C(C=CC=C2)SC(F)F,FB949713A69393D3_3354B62DAFCCCF85_6035_UN,8.587357,00000000000000000000000000000000000000000010000000000000000100001010000000000000011010101001000000101000101101011100001001000011110100100110001111010011110101100111110,FIQCVVCVSFZJRY-UHFFFAOYSA-N
+CC1=CN(C=C(Br)C1=O)CC2=CC=C(C3=C2CNCC3)N,9C309E11AC4EE59E_3DEE71A48B5845DB_6034_DP,8.587311,00000000000000000000000000000000000000000000001000000000000000000100000000010000001011110011000001101100110110010100001011100101110101110110001111011011111110101111110,FSWXCFGHLIPDRG-UHFFFAOYSA-N
+C4CC1=C(C3=C(N1CC2(CC(C)C)CC2)C=CC=C3)CN4,0CDA801C471DBEA9_81109CBA045BA1FC_6034_UN,8.587091,00000000000000000000001000000000000000000000000000000000000000000110000000110000101101100001000010101100110010011001001011100100110000000110001011011101010110101111010,NUMLODZFIJHLMO-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(CCC2)C=C)C=CC=C3)C4CCNCC4,5087624DC36F8F06_E3149823A842496C_6034_UN,8.58699,00000000000100000000000000000000001000000000000000000000000000100110000000010000001101100001000010111100110010011000101011100100110000000110001011011011010110101111010,PEFWTCLGWYWLPD-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=C(C)C=C2C)C,F6855C9902C5A700_19457B4342BDA36D_6035_UN,8.586787,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000000000011101001010100011010100001100101111001011010010111111111111110111111111110,YETILIRIMBKCAE-UHFFFAOYSA-N
+N5CC1=C(C=C(C=C1)NC2=C(C=CC=C2F)N3CCCC3)C4(CC4)C5,C220781BA9C757A3_36E6417727EF29FE_6041_DP,8.586281,00000000000000000000001000000000000000000010000000000000000000100010000000010001001101110011000010101100010100011000001011100100110101110110001011011011010010100111010,SKQVOUMHKNJBPH-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)[NH]C=C2)NC(=O)C4=C(C=C3OCCCOC3=C4)[N](=O)=O,D0117BDDEB4555E9_7A385A98ECCCC165_6038_UN,8.586264,00000000000000000001000010000000000000000000000001000100110000010100001110000000100100000100111111000110010001100100011111101111001111011110101111111011111011111111110,NJWINKKOGVMWEQ-UHFFFAOYSA-N
+CC2=C(C(=C1C=CC=C(C1=N2)F)NCC3(CNC3)C4=NC=C(C=C4)F)C,DDC038E05A7AEEF7_7F5CC046EE5CCE91_6041_DP,8.586213,00000000100100000000000000000000000000000010000000000100000000100110000000000000101000110010000000101100010110001000000011000100100101110110001011000111010110101111010,ZETUNKPWXNQGDD-UHFFFAOYSA-N
+C1NCCN(C1)C3=CC2=C(C=CC=C2)N3CC[C@H](C)F,CE20A4D82E35E86D_0CD9EE05D518FB08_6034_UN,8.585869,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101100001000010101100110100010001101011100100110001110110001011011011010110101111010,BIZRHQHDBRIWDM-ZDUSSCGKSA-N
+O(C2=C1C=CN=CC1=CC=C2)C3=CC=C([S](N)(=O)=O)C=C3C#N,E707F087A5B40A09_5099B2B07A7F56C1_6003_UN,8.585668,00000000000000000000000000000000110000000100000000010001001111001101010001000000010010001000001001100110011000001100010001001111001000001100001111101011100011010111110,FGZJQHQAJYZBON-UHFFFAOYSA-N
+CC1=C(C=CC(=N1)NC2=C(CCOC)C=CC=C2)[N](=O)=O,D481E9D6F2681184_729254BF1CBAB254_6041_UN,8.585598,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000100011011001100010000001000001101101101110001011010100001011111111010111111111110,CKVYJMIQKVFTLL-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=CC=C(C=C2)C3=NC=C[NH]3,FDB73B25DC878C00_22C70D24637DA721_6035_UN,8.585491,00000000000000000000000000000000000000100000000000000000000000100110000000100101101101100011010111001000100010011101001011100111110110000110001100011101110111101111110,ZIVDVHRNLVHRLJ-UHFFFAOYSA-N
+NCC(F)(F)C2(OC1=CC(=C(C)C=C1)CN)CCCCC2,B446DB300A3EF0BF_5DD161C381628D74_6035_UN,8.585445,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010000001000001001000000100001100101000000011110110100010001111010011110101101111110,LXOPUUWCPCKFOR-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N=C=O)NCC2=CC=C(SCC)C=C2,C52E0D79198945A3_B5D80941C5B1725C_6041_UN,8.5852375,00000000000000000000000000000000000000000000000000000000000100001000000000000010011000001000000000001000000010100010010100000100000001010010001011000111011110101111110,LBYVWVQCMYPIBW-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=CN=C1NC3=C2OCCC2=CC=C3)C#N,08B1BD06B2D15CF2_C8E676F37BFD368F_6041_UN,8.585101,00000000000000000000000010000000000000100100000001000000110000010100001100000101100100000001001111100110010001000100001111101100001011010100001011111011110011110111110,VFJMEAMLSCHRGI-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=C(C=C1)Br)C#N)N4CCC2(CN(C)C3=C2C=CC=C3)CC4,E2BD005C4D92E9FE_E46BD95F7B7C5224_6026_UN,8.584927,00000000000000000000000000000000110000000100001000010001001111001011000001010000010101111000011010101110011110011001011011101100111000111110001011011010010010111111110,ZQGIQIDZRIFYRI-UHFFFAOYSA-N
+C2(=C1OCOC1=CC(=C2)CC#N)NC4=C3C=CN=CC3=C(C=C4)[N](=O)=O,B9848E127884F7BE_40B39661B5F47C6D_6041_UN,8.584501,00000000000000000000000010001000000000000100000001000000110000010100001110000000100100000001001111100110010001010100000111111100001001010100101011101001110111110111110,FEJWKKLUTQZBIH-UHFFFAOYSA-N
+N5CC1(CCC1OCC2=NC=C(O2)C4=C3C=CC=CC3=CC=C4)C5,4C7C801C27E6BCD0_C14F03C9C3353653_6039_DP,8.584315,00000000100100000000000000000000000000000000000000000000010000100110000010000000001100100011100111001100010001111000011011000111110010000110001101010001110111110111110,WSFICLLMRHJBLV-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)OC(=O)CCC[N]3C=CC4=C3C=CC(=C4)[N](=O)=O,8F79C33A872F78D0_C808ED98005E120D_6038_UN,8.584181,00000000000000000000000010000000000000000000000001000000100000010100001100010000000101000000011011001110010000010100001111111111001011011100101101111000111111111111110,SPWZWMHFSFDKCJ-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)CN(CC2)[S](C3=CC=CC(=C3)CC)(=O)=O,3B5947A1ED8CFF08_2770F59A6A39FB6D_6029_UN,8.583994,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000101000001000101110011000011010011001101100111000001110001011011000010110111111110,MGZSVVZFELEJPY-UHFFFAOYSA-N
+C[Si](C)(C)C#CC2(OCC1=NC=C(CC)C=C1)CCOCC2,5D1F3F8D795B966D_FFF449CCA3DCA2D2_6039_UN,8.583611,00000000000000000100100000000010000000000000000000000000010000000110000000100000000000100100010100100000000001011010001011000011110010000110010101011100110111011111110,LYFCUVCAJQIFFC-UHFFFAOYSA-N
+N2CCC(COCCOC1(CCOCC1)C#N)(CC2)C3=CC=CC=C3,BE320373BE7D1752_C8A5BBA16A61D17F_6039_DP,8.583595,00000000000000000000000000000000000000000100000000000000010000100010000010000000001000100101000100101000100001011000001011000011110010000110001101110001110101110111110,XITQWJZIRUUSFZ-UHFFFAOYSA-N
+CON(C)CCC(C)CCOCC2=CC1=C(CCNC1)C=C2,43F0419BF768B725_1593B0B1E7F64AEC_6039_DP,8.583462,00000000000001000000000010000000000000000000000000000000000000000000000100000000001000100001011000101110110011010001101001101010110010000110011011011101010101111111110,WNLZAIDYRCZHLY-UHFFFAOYSA-N
+CO[C@H]3C[C@@H](COCC1=CC=C(C=C1)N2CCCC2)NC3,85DE97805D0E09AE_6C7473F3510043BB_6039_DP,8.5834465,00000000000000000000000000000000000000000000000000000000000000100000000000010000001101100011010111001000100001010000101011100011110011010110001100011001110111111111110,VGHWDTSKRCCHHI-RDJZCZTQSA-N
+O(C(=O)C1=CC(=C(C=C1)N2CCCC2)[N](=O)=O)CC3=C(C=C(CN)C=C3)F,D1330E5C4EA9E3E1_6340E951BE037E0A_6031_UN,8.583296,00000000000000000000000010000000000000000010000001000000100000110000001100010001001111110000001011001010000101010000001101111110011001111110101011111011011111110111110,AWHIURPEZHSVRQ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C[S](=O)(=O)C2)NC4=CC3=C(C=C(N(C)C)C=C3)C=C4,713C3FE90352BCDB_AC38582853378351_6026_UN,8.583199,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101000011010000110011000001000010000101101011011011110101111101101010010111111110,KWDCCBQQDFRLTB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OCCCSC#N)NC3=CC2=C(C=C[N]2C)C=C3,4633F7E96FFB5273_FE01798FC0F9CA41_6041_UN,8.583105,00000000000000000000000000000000000000000100000100000000000000000100000000010000100101001000010010000100010001000100001001100111000011010110001101011001110111101111110,PJXXDYQMAIUSPP-UHFFFAOYSA-N
+CC1=C(C5=C(N1C[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4)C=CC=C5Br)C,5025D8BB1142DA5F_BA6DA18004E5C377_6034_UN,8.582916,00000000000000000000001000000000000000000000001000000000000000100100000000010101100101010000010010101100010110010000101011100100110001100110011011011110010110101111010,SGEDVBYNXQGMGL-HXOBKFHXSA-N
+CC(C)OC1=C(C=C(C=C1)CC#N)N[C@@H]2[C@@H](CCNC2)F,B970E9A3F7C3A003_714E1BF1CEB5B58E_6041_DP,8.582715,00000000000000000000000000000000000000000110000000000010000000000000000000100001001000110011000100101000100100010100001001000011110101110110001111010111110111101111110,ZSKBCZSNJUTFRB-HIFRSBDPSA-N
+C[C@@H]3C[C@H](OCC1=CSC(=N1)C2=CC=C(C(C)C)C=C2)CCN3,D4418226FB5F9371_F6951A78079017ED_6039_DP,8.582673,00000000000000000000000000000000000010000000000100000000000000100100000000100000011100001001000111101000100011010001101011000111110010000110011101010101110111101111110,IRBKAGGROLNFCX-RDTXWAMCSA-N
+COC(=O)C1=NC(=C(C=C1)[N](=O)=O)NC2=C(SC)C=C(C=C2)C,582537BCD0E6BB6F_6E8C921829C90E61_6041_UN,8.58256,00000000000000000000000010000000000000100000000001000000100100011100001100000101010000001000011101100010000000000000000101111110001001011100111011101111001011111111110,FKYGAFQMVFSXPF-UHFFFAOYSA-N
+FC(F)(F)C1=CC(=CC=C1)OCCC=CCC2(CCNCC2)C#N,2BAF6DBA61D4A44F_C36727DFCA349BCB_7019_DP,8.582459,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000100001000000111000101101011100001001000011110010100110001101010001110101100111110,GPLUHEYEFUARGL-UHFFFAOYSA-N
+N(C1=C(C=C(C=C1)F)O)[S](C2=CC(=CC(=C2O)OC)C#N)(=O)=O,F7E803D6132DB7CC_7C162BE4DCF72254_6029_UN,8.582387,00000000000000000000000000000000110000000110000000010111001111001001010011000000010000011100011101000010001100001100010000001111001101111001101111101011100011111111110,REJGXCKDAAJFBU-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)[NH]C=C2)NCCOCC3=C(OC)C=CC=C3,59332C52242CA973_F43F95C86F1446A6_6026_UN,8.582222,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100101101011110001110111011011100011001001111011110001110101111111011110111111111110,XWJGJWUINPQWMP-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CCCC(C)(C)C#N,36D3ED0612AB6DF1_F6866C812B6753C4_6034_UN,8.581972,00000000000000000000000000000000000000100100000000000000000000100110000000110101101101100011000010101100110010011001101011100100110000000110011011011111010110101111010,SEAIFELVXOVZDO-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2C[C@H](C)O[C@@H](C2)C)C=CC=C3)C4=CCNCC4,D0120F1FA4A7A0C6_C1CAC9F772F182AE_6034_UN,8.58188,00000000000000000000000000000000000000000000000000100000010000100100000000011000001101100001000010111100110010010001101011100100110010000110011011011111110111101111110,XKEAVXFFPZSEHQ-BYICEURKSA-N
+CC(C)(F)C(C)(F)COC1=C(C=CC=C1)N2CCNCC2,79EF3BD9BE4228C7_F220660CE64435C8_6035_UN,8.581752,00000000000000000000000000000000000000000010000000000000000000100010000000110001001001100001000100101000100101011101101011100011110001110110011111011111110111101111110,CVYBPDQHHANFNU-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)F)NC2=C(CC)N=CC=C2C,CAC58179BBD79BB5_EE704131408E7C9F_6041_UN,8.581211,00000000000000000000000010000000000000000010000001000000100000010100001100000001000000010010001000100010000110010010000101101100001001110100011011001111000110111111110,PNDYAQQBZIAQQK-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC(=C2)F)F)C(=O)C3=C[NH]C4=C3C(=CC=C4)F,7CB4D6F99F4C6B94_73BC6DCD527B26F4_6038_UN,8.581061,00000000000000000000000000000000000000000010000000000100010000000100000000000000100100010010100011100100110101110100011011000100000111100100001011010001111011110111110,HSBKDLFZIPYDGB-CQSZACIVSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC4=CC=C(N(C)C3CC3)C=C4,3F0AE18464F8B2A6_818014577E84AB4F_7022_UN,8.580931,00000000000000000000001000001000000000000010000000000000010000000000000010000000000101010000010011000100010101010100100010110100000001110100001011011011110011111111110,PYBKEPPFEIEJFB-UHFFFAOYSA-N
+C[C@H](COCCC1CCCNCC1)C2=CC3=C(C=C2)OCO3,FF2BD0D8B47D2C7E_1492243C0F36AD89_6039_DP,8.580693,00000000000000000001000000001000000000000000000000000000010000000000000010000000001100100011000010001100110011010101001011010010110010000110000010110001110101111111110,RUHMQRCUGNTIBU-GICMACPYSA-N
+ClC2=C1C(=CN(C1=CC=C2)CC3(CCC)CNCC3)CC#N,DF2C67633CE6F211_5A22B615E046F1A5_6034_UN,8.580523,00000000000000000000000000000000000000000100000000000000000000000110000000010000101101110011000010001101110110011011001011100100110000100110001000011001010110101111010,QYIKGQHJHLRURP-UHFFFAOYSA-N
+BrC2=C1C(=CN(C1=CC=C2)CC3(CCC)CNCC3)CC#N,9409947CA6F252C2_73AAE273BED09579_6034_UN,8.580508,00000000000000000000000000000000000000000100001000000000000000000110000000010000101101110011000010001100110110011011001011100100110000100110001000011001010110101111010,AKKOELULZSKHIO-UHFFFAOYSA-N
+C(CC1=CN(C2=C1C=CC=C2)CC3(C)CCCN3)N4CCNCC4,A699DFF619952B91_13F2743E8E4D5F5A_6034_UN,8.580471,00000000000000000000000000000000000000000000000000000000000000000110000000010001001101100011000010101100110010011001101011100100110100000110001001011001010110101111010,JTDHLAWHRCCKJJ-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2=C(C=NC=C2F)F)C3CCCN3)C4=CC=CC=C4,BFD522418AC46274_1EB8A011D4AA9B81_6034_UN,8.58026,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101010011000010101000100100010000101011100100110000100110001011011011010110101111010,XWDYELJPTBTQNN-UHFFFAOYSA-N
+COC1(CN(CCC1)CCC#C)COCC2=CC(=C(C=C2)F)C,E29D485FA4CAD4C1_34141DD3104EC895_6039_UN,8.579985,00000000000000000100000000000000000000000010000000000000000000000010000010010000000001110000010101101000000111011000101001100011110010100110000111011110110101111111110,UVLHUENUMVEYQL-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=C(C2=C(C=C1)[NH]C(=C2)C)F)[C@H]4CCCN[C@@H]34,19B716DD1BD2496C_B64A9C9EEDC266FA_6035_UN,8.579796,00000000000100000000000000000000000000000010000000000000000000000110000000100000001100010011000011101100110110011100001011000111100100100100011111010111110011101111110,YXTSPFXBFNWPKK-JECHBYEQSA-N
+FC1=C(C=CC=C1)OC2=C(C=NC(=N2)NCC34COC(C)(CC3)C4)F,73C8DA855ED6CE83_12111B8885545813_6041_UN,8.579734,00000000000000000000000001000000000000000010000000000000010000000110000000000100101100010011100011101000011111101101111011000111110011110110001111010011110111111111110,MAONXIYVEWULKC-UHFFFAOYSA-N
+CC3(C)[C@@H](OC2=C1C=CC=CC1=NC(=C2C)C)[C@H]4CCCN[C@@H]34,6172C4CFE3FB9703_8C00DF06788FB177_6035_UN,8.579673,00000000000100000000000000000000000000000000000000000000000000000110000000100000001000000011000001101100110010011100001011000111100000000100011111010111110011101111110,KVLALZJTKZQILW-IPELMVKDSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)NC3=CC(=C(OC)C=C3)[S](=O)(=O)N(C)C,045D38BE7DAC59CB_A4D47131D0A2C6E8_7022_UN,8.579464,00000000000000000000000000001000110000000000000000010001001111001001000001100000010000101101011101000110011001001101010000111111001001011000111111101111110111111111110,YMVGXDTZRFKFIQ-UHFFFAOYSA-N
+O(C1(CNC1)C2=CC(=CC=C2)Br)C3=CC(=C(SC)C=C3)Br,FE32A38344EFEA13_B85EA3830ADCB64C_6035_UN,8.579419,00000000100100000000000000000000000000000000001000000000000100101010000000000000011000111010010100001000000100001100000001000111000010100110000111000011110001101111110,RISZIKCFCSNWEG-UHFFFAOYSA-N
+O(C1(CNC1)C2=CC(=CC=C2)F)C3=CC(=C(SC)C=C3)Br,4AEFEA9817EB8C8C_10CD258F5C3526DA_6035_UN,8.579409,00000000100100000000000000000000000000000010001000000000000100101010000000000000011000111010010100001000000100001100000001000111000010100110000111000011110001101111110,PXOSVPPCCAHEJP-UHFFFAOYSA-N
+O(C(=O)CN1CCNCC1)CC2=C[NH]C3=C2C=CC=C3,048E1217AF6B8733_C2A674BA09DC8386_6031_UN,8.579322,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101100011000111101100110001010000001011110110110110000110001001011001011111110111110,PKGUSEBPTBICJI-UHFFFAOYSA-N
+CN(C)C2CCN(CCCOC1=C(C(=C(C)C=C1)Br)C)CC2,A99A8DE75A85FFDA_6E01D19427427C61_6035_UN,8.579245,00000000000000000000000000000000000000000000001000000000000000000000000000110000100001110000010001101000000111010100101001100011110011100110011111011110110111101111110,XVJKFSCACHIZKG-UHFFFAOYSA-N
+C2(=C1C(=C[NH]C1=CC=C2)CC#N)NCC3C(CCNC3)(C)C,548F73EFC06754B9_6A9167FC1C759BFF_6041_DP,8.578996,00000000000000000000000000000000000000000100000000000100000000000110000000100000101100100011000010101100110000011001101011000100110101010110001001010111010110101111010,ZTTHTAWVCZGZPL-UHFFFAOYSA-N
+O(CCC1=CC(=C(C=C1)F)F)CC2=CC(=NC=C2)N(C)C,10F7F36B74087EBA_CC01C66D82ABBB4E_6039_UN,8.578786,00000000000000000000000000000000000000100010000000000000000000000100000000100100000001110000010000100000000101000000001001100110010011110110001011011110010111101111110,NJFPACFRNNICSE-UHFFFAOYSA-N
+COCCC4(COC1=CC(=CC=C1)C2CNCCO2)CC3OC3C4,BD850AF713FEE513_3D528A3B99E7696A_6035_UN,8.578783,00000000000000001000001000000000000000000000000000000000010000100010000000000000001000100001010110101000110001011101101011000011110010000110100101110001110101111111110,SHFKODDRKUSMJQ-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N[S](C2=C(C=C(OC)C=C2)F)(=O)=O)C#N,63455E8EBDF84A97_7AC7EACE042AF0C3_6043_UN,8.578706,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011000011000000010001100001100010000001111001001111000001111101111100011111111110,JKFRXLJRQAIETQ-UHFFFAOYSA-N
+O(C2(CC1=CC(=CC=C1)F)CCNC2)C3=C(C)C=C(C=C3)C#N,31F4F2E33871D8FA_014A38F1263BC1CB_6035_UN,8.578479,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100110011000111001000100100011100001001000111110010100110001111010011110101101111110,NRUDCWNZKCJFQP-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CN(CC2)[S](C4=CC(=C3N=CC=CC3=C4)OC)(=O)=O,D961F837D1C07FD4_B60CC29A85E88EE8_6029_UN,8.578446,00000000000000000000000000000000110000000000000000010001001111001101000001010000010000101000011100101110011000011100011011101111111000001110101111111100110011111111110,HFGSZBBGTRTKFT-UHFFFAOYSA-N
+COC3(COC1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CCNC3,7C93C4F9AD5B8EF4_D7C75D89CB8F697C_6035_DP,8.578413,00000000000000000000000000000000000000000010000000000000000000100010000010000000001100110011010111001000100111011100101001000111110010100110000111010011110101111111110,MMGVSXWBENBHOW-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC3=C(C2=CC=C(C)O2)C=CC(=C3)Cl,F2A1050914B1655E_7859AE79A805CAE2_7022_UN,8.578053,00000000000000000000000000000000000000000000000000000000010000100000000000000000000100111001010111000001000100000101000000000111000001110100010111000111110111111111110,AJNXQFDZQOXGBG-UHFFFAOYSA-N
+O=C2C=C(C#N)C1=C(C=CC=C1)N2CC3(F)CNCC34CCC4,3A1C0E52370FD65A_D37DBC4706590F09_6034_UN,8.577954,00000000000100000000000000000000000000000110000000000000000000000110000000010000101101110011100010101100010100101100011011100101110000100110001111011011011110100111110,ZNAFLOSOZALTEX-UHFFFAOYSA-N
+CSC1=C(C(=CC=C1)NC[C@H]2[C@H](CCNC2)C3=CC=C(C=C3)F)C#N,808AD751C9AA781D_F9E0544CEDEA450D_6041_DP,8.577844,00000000000000000000000000000000000000000110000000000100000100101000000000000000111000111011010000101000100100010000001001000100110101110110001011010011010110101111010,CPYMCBSBXUVNJV-DOTOQJQBSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC=C(OCCOC)C=C2,78618FFFAF0C9048_09BBAFC80FD645EF_6035_UN,8.577498,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100010010101101000001101001101101011000011100010100110100101110001110101111111110,QIVUZYGWQBOTIE-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COC2)[S](C3=CC=CC4=C3N=C(Cl)C=C4Cl)(=O)=O,C4C77E41D4573274_B85E7EE0292F0B43_6029_UN,8.577431,00000000000000000000000000000000110000000000000000010001011111001101010001000000110100111001001011100111011101001000010011001100011001111110001011101001010011110111110,XLRUQZWONIROOS-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC3C2=C(C=C(OC)C=C2)CCC3,AE3A3F338BDEC81F_CC4D9D882EE26187_6026_UN,8.577328,00000000000000000000000000000000110000000100000000010001011111001001010011000000010100001011011110000110111000011100011000001111101001001100101111111001100011111111110,SRPRGDPDUWSZNN-UHFFFAOYSA-N
+COCCOC1=CC2=C(C=C1)N(C=C2)CC3(COCC(C)(C)N3)C,1CA93DC30945731F_816E0E6BDA6D42D7_6034_UN,8.577247,00000000000000000000000000000000000000000000000000000000010000000110000010110001000101100001010111101100110011011101101011100111100010000110011101111101110111111111110,SWJZYJCUENNLCE-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NC3=C(OCCOC)C=CC=C3,37B590E477E6A3B3_4CA5E4D83E20F073_6026_UN,8.577096,00000000000000000000000000000000110000000000000000010001001111001001010011100000010001101001011100000110011001001101111000101111001011011010111111111111110111111111110,DQZKZAZIHOXRKV-UHFFFAOYSA-N
+O(CC1CCN(CC(F)(F)F)CC1)CC2=C(C)C=C(C=C2C)C#N,A587B6578BEB4604_596F8AD29C779F54_6039_UN,8.577058,00000000000000000000000000000000000000000110000000000000000000000000000000010000000001100000000000101000001101011000101001100010110000100110001011011110010101101111110,KRSBMJGOYKJIFI-UHFFFAOYSA-N
+COCC2(COCCC1=C(F)C=CC=C1F)CCNC2,747C2C9C8C54717A_A9D481435B56CD5C_6039_DP,8.576591,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110111010011001000100111011001001001000010110010100110000010010011010101111111110,WPWLAQDWWFKOOJ-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)C2=CC=CC=C2)C3=N[N](C)C(=C3N)C(F)(F)F,9866CDBFB73CA13F_721B5C3C86E30F42_6035_UN,8.5764885,00000000000000000000000000000000000000000010000000001000000000100100000000010001101110100001111111001000001100101100010011101111010111110110001110001011110011101111110,AZAZHGWUQRXGDC-WDEREUQCSA-N
+C1(=CC2=C(C=C1)OCC2=O)NCC3=C(SC)C=CC=C3F,314C592A99202759_1FE3A2D8EE40EEB2_6041_UN,8.576421,00000000000000000000000000000000000000000010000000000000010100001000000010000000011100011100010010001100010111000100000000000101000011110110000111000011111111111111110,DJHAMGLNJRBBBX-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)OCC2)NC3=CN=CC(=C3)CN(C)C,EF8034F071C9C687_F5752C6DF14F95D0_6041_UN,8.576207,00000000000000000000000000000000000000000000000000000000010000000100000000100001100001100001010000101100010001000001001011110101000011010110001111011101011111111111110,BVUWOTHXBUTBND-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CCC5=C4C=C(C#N)C=C5,2B99DA60F90B5585_2BD559EE771BE8F2_6026_UN,8.576099,00000000000000000000000000000000110000000100000000010001001111001101000001010000010100001000001110101110011000011100011011101111001000011100001111111000110011110111110,SFSSRRYIFVEISE-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NC2=C(C=C(CCC)C=C2)C#N,C63CFB50EB1A67E6_AD7907C845302C43_6041_UN,8.575961,00000000000000000000000010000000000000100100000001000000100000010100001100000100100000000000011100100010000000000111001101101111001001010100001111111111100111111111110,IMAGNLWBYQIOCS-UHFFFAOYSA-N
+CC1=CC4=C(C(=C1)NC2=CC(=C(C=C2)F)[S](=O)(=O)N3CCOCC3)OC=C4,7ECA7659E84864B7_7048C7624F1D1028_6041_UN,8.575683,00000000000000000000000000000000110000000010000000010001011111001001000001010000010100111000001110101110011101011000011011101100111011111110101011111011110011111111110,QLXIWNIFQLOKTG-UHFFFAOYSA-N
+C1(=C(N=CC=C1)CC2(CC2)C#N)NCC3COCCN3C,662190C8C2DA3214_D1296D1B5344CF60_6041_UN,8.575672,00000000000000000000001000000000000000000100000000000000010000000110000000010001001001100011010101101000000001011001101011100000110011010110001011011011010111101111110,JGYVWCYXSWXTEY-UHFFFAOYSA-N
+C1(=NC=C(C=C1)CN2CCOCC2)NC(CCOC)C3=CC=C(C)O3,5709F34226521E21_401CF4640820FC02_6041_UN,8.575432,00000000000000000000000000000000000000100000000000000000010000000100000000010100100101100010010111101000100001010001101011100110110011010110001001111101110111111111110,GAXJILOIOJRIFM-UHFFFAOYSA-N
+C1(=C(C=NC(=N1)C2CC2)C#N)NCC3=CC=CC(=C3)CSC,B5CC176AFCD0CA03_D0D8CA8A33F53390_6041_UN,8.575312,00000000000000000000001000000000000000100100000000000000000000100100000000000100101000101000010000101000000000000001000011000100100001010110001011010011010110101111010,FDMLOMAIRYXQEJ-UHFFFAOYSA-N
+FC2=C(C=C1C(=CN(C1=C2)CCCNCC)C3=CCNCC3)F,2C4766B286A0D72B_7406C9DEDC012198_6034_UN,8.574931,00000000000000000000000000000000000000000010000000100000000000100100000000011000101101110011000010111100110110010010101011100100110100100110001011011011010110101111010,VSLMRKYONHTOQM-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(Br)[NH]3)Cl,41D2FBDAE5B0B024_9E0E1E68C0376770_6038_DP,8.574881,00000000000000000000000000000000000000000000001000000010010000100100000000000001001100110001100110101001100101110000011011000100110111110110001011010011111011110111110,BAWUGMCAVYGLHT-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(Cl)[NH]3)Br,13D41F69BDFF5F66_6D228EEDED5CE874_6038_DP,8.574877,00000000000000000000000000000000000000000000001000000010010000100100000000000001001100110001100110101001100101110000011011000100110111110110001011010011111011110111110,YFZGSFCZFDMIGC-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(Cl)[NH]3)Cl,1C96F5296731ECDB_FDEBEE584F024BDE_6038_DP,8.574871,00000000000000000000000000000000000000000000000000000010010000100100000000000001001100110001100110101001100101110000011011000100110111110110001011010011111011110111110,CJLDXRPMMVYPBB-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(Br)[NH]3)Br,8A66553324924946_A9E63936E598B998_6038_DP,8.574867,00000000000000000000000000000000000000000000001000000010010000100100000000000001001100110001100110101000100101110000011011000100110111110110001011010011111011110111110,RNFYSHRRJVRQGP-UHFFFAOYSA-N
+C[C@H](OCC1=NC2=C(S1)C(C)(C)CC(C)(C)C2)CC3=CSC=C3,3EDE8CF609803E2E_76FE539F87B93CF4_6039_UN,8.574802,00000000000000000000000000000000000010000000000100000000000000000110000000100000010100001000000110000100010011011001100011000110110010000100010010000100110111001111110,FIMYGEHMLHSUMC-ZDUSSCGKSA-N
+C2(=NC=C1C(CCCC1=C2)=O)NC3=CC(=CC(=C3)F)N(C)C,5CF80BDB1B0CEA4C_F77D72ED36324F84_6041_UN,8.574329,00000000000000000000000000000000000000100010000000000000000000000100000000100100100001110001010001100100010100000000001001100101100011110100001111011101101010101111110,CFLAIFBCTINIQX-UHFFFAOYSA-N
+CC1=C(C(=C(C(=C1)C2=CC(=C(OC)C=C2)CN(C)C)C)[N](=O)=O)N,999F0583E24D558E_17907A1BDF5573E7_6004_UN,8.574039,00000000000000000000000010000000000000000000000001000000100000110000001100100001000011100000011001001010000010000101000100101111001001010000011111101111110111111111110,VAKHVZJCHQUFHB-UHFFFAOYSA-N
+C[N]1C=NC2=C1C=CN=C2NCCC4=CC=C(N3CCN(C)CC3)C=C4,8CA7469077D1C7A3_788294613CA9E05F_6041_UN,8.5738,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101100000010010101100110000010001101011100100110001010110001001011101010110101111010,BDBYZXDDYQNPSV-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)C2=CN=C(N2CC[C@H]3CCCC[C@H]3N)C4CCNCC4)F,E4E81BF2E3F201D8_583329D9C04C650C_6034_UN,8.573723,00000000000000000000000000000000000000100010000000000000000000100100000000010101001111110011000010101000100100010000001011100100110101100110001011011011010110100111010,WUBSQQQXOIFLCR-FOIQADDNSA-N
+COCC(C)(C)CNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCC3,4450F4EA08FB01C6_BCBB39A062528FB9_6038_UN,8.573148,00000000000000000000000000000000000010000000000100000000010000100110000000100000111100101010110011001100010011101101011011000110000010000110011010110101111111111111110,KYXHUFMBKPVQBE-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(CCC)CNCC2)C=CC=C3)C4CCNCC4,AF8966306F85BBBA_7252946AC57E8C1B_6034_UN,8.573129,00000000000000000000000000000000000000000000000000000000000000100110000000010000101101100011000010101100110010011011101011100100110100000110001011011111010110101111010,JPYJMOUSPAXBQU-UHFFFAOYSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)OC3(CCNCC3)C,2DD1064984D6BA4B_DA0388C63665904A_7022_DP,8.573037,00000000000000000000000000001000000000000000000000000000000000000010000010000000001000100001010001101100110001011101101001010111110010000110000111110111110101111111110,ROBUADDYXSBFPR-UHFFFAOYSA-N
+N4CCC1=C(C=C(C=C1)OC([C@@H]2[C@@H](N(C)CC2)C3=CC=CC=C3)=O)C4,45E1F1C842A21E50_3362DEEEAFA99FBD_6038_DP,8.572986,00000000000000000000000000000000000000000000000000000000000000100000000000010000001101100001010011101100110010010101101011110111110000000110001111011011111011111111110,OYQYJRURYIWWAI-PMACEKPBSA-N
+CC2=C1N(C=C(C1=CC=C2)CC#N)CC3CCNCC3C,ADFA84A4D2A33C0C_C00E8CEAE331757F_6034_UN,8.572833,00000000000000000000000000000000000000000100000000000000000000000100000000010000001101100001000010101100110010010001101011100100110000000110001001011111010110101111010,SQSXDMOOKXLPRU-UHFFFAOYSA-N
+O(CC(CC1=CC=C(C=C1)F)C#N)C2=CC(=CC=C2)C3NCCCC3,AD2021E9E01EE2E8_AEEFA994E1EB1E32_6035_UN,8.572823,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000010011000001101000100101010100001001000111110000100110001101010001110111100111110,KTADUIUPPSHPDE-UHFFFAOYSA-N
+O(CC(CC1=CC=C(C=C1)Br)C#N)C2=CC(=CC=C2)C3NCCCC3,2A91E5F62B043404_1D6135FACE7B4935_6035_UN,8.572823,00000000000000000000000000000000000000000100001000000000000000100000000000000000001000010011000001101000100101010100001001000111110000100110001101010001110111100111110,RLPJOMHBUDTLSE-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)C#N)C#CC=CC2C(CCN2)C3CC3,59ED80E41F1D48C2_7EC30FC6FF64D695_7019_DP,8.5727415,00000000000000000100001000000000000000000110000000000000000000100000000000000000001100010011000010011000100100010000001001000000110000100100001000010011010010100111010,MBGQWNCGHSFWTH-UHFFFAOYSA-N
+C(N1CCNCC1)C3=CC2=C(C=CC=C2)N3CC(C)(C)Br,98065C707CB07717_154848AAE727C26A_6034_UN,8.572388,00000000000000000000000000000000000000000000001000000000000000000110000000110001001101100001000010101100110100011001001011100100110000100110001011011111010110101111010,FUTDZDNWXIZWOH-UHFFFAOYSA-N
+C(N1CCNCC1)C3=CC2=C(C=CC=C2)N3CC(C)(C)F,625276C58313A6E2_A09BD4947124EE86_6034_UN,8.572386,00000000000000000000000000000000000000000010000000000000000000000110000000110001001101100001000010101100110100011001001011100100110000100110001011011111010110101111010,ZHQWGHWZUGWCLR-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCC[C@@H]3NCCC3)CC#N,11F449B99ED23EA6_25DF67550D3C3DA9_6034_UN,8.572252,00000000000000000000000000000000000000000100000000000000000000000100000000010000001101000011000010001100110000010000001011100100110000000110001000011001010110101111010,JIKSNUKLOAGCGM-MRXNPFEDSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC(C(C)(C)C)C3=NC=CC=N3,B62C54B0DD6D80F1_9ACE57C9866753BF_6041_UN,8.572095,00000000000000000000000000000000000000100100000000000000000000000110000000100101100100000000000010100100010000001000000011000100000101010100011001000101000010101111010,JGLFFYNOCXHAGM-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NCCN3C4=C(OCC3=O)C=CC=C4,D1B5CF8B32550C09_B132C222F0960BAD_6041_UN,8.571963,00000000000000000000000000000000000000000100000000000100010000000100000010010001101101000000100110101100110001110100011011100101110111010110001111011011111111110111110,VAYZKOIHLCZEDD-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)CCN[S](C2=CC=CC(=C2C#N)F)(=O)=O)OC,FDFD99486EEBB171_0EF5B076AB3A3D67_6028_UN,8.571956,00000000000000000000000000000000110000000110000000010001001111001001010011000000011000011000011000001010101110011100111000001111001000101000111111111111110111111111110,RHNRJNOGCNMZMV-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CN[S](C2=CC(=C(C(=C2)C)CCl)C)(=O)=O)OC,E168848FC94F6DCD_59CB28E5B4168315_6029_UN,8.571819,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000001000011001001011001010001100110000001111001000101010110111101111110111111111110,BBCZVCVMKWJDJX-UHFFFAOYSA-N
+COCC[N]1C=CC2=C1C=C(C=C2)NCCC3=CC=C([Si](C)(C)C)C=C3,E6B6934631A06F04_09E54C85AB30CFDA_6041_UN,8.5718155,00000000000000000000100000000010000000000000000000000000000000000100000000110000101101100000010110001100110001011001101001100110000011010110011001011101010111101111110,ZHFAEWWHJRETHC-UHFFFAOYSA-N
+CCC(C)N=C1N(C(=CS1)C2=CC=C(C=C2)Cl)C[C@H]4[C@@H]3CNC[C@@H]3C4,9CE524A84DF6900C_F417199CDC6E8BB2_6034_UN,8.571698,00000000000100000001000000000000000010000000000100000000000000100100000000010110011101111011000010001001011100010011000111100100110001110110001010001111010110101111010,SPNJQSQSUNOSLD-ROOJKOGMSA-N
+C[N]1C(=CC2=C1C=CC(=C2)NC3=CC(=C(C=C3)[N](=O)=O)C)N=C=O,C81C43F8F56CBDC5_C5A8F6DA39424130_6041_UN,8.571668,00000000000000000000000010000000000000100000000001000000100000010100001100010110000101000000011011000110010000100000010101101100001001011100001011101111001010111111110,UFBVNZKTCGMTSW-UHFFFAOYSA-N
+O(C2=C1C=CC=CC1=CC=C2F)C(C3(COC)CCNCC3)=O,FC109A86901329C3_F58C811BABE7A415_6038_DP,8.571659,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110101010000101100110111011101001001010111110000100110000111110011111101111111110,BEGZNCGRUMPTNM-UHFFFAOYSA-N
+N1CCOC(C1)C(C)(C)OCC2=CC(=CC(=C2)C#N)F,AA5EFFCBE3926D9A_7A2790C4B2612E07_6039_DP,8.571594,00000000000000000000000000000000000000000110000000000000010000000010000010100000001000110001000101101000100111011000101011000010110010100110001001010101110101111111110,DJZOVLWDKSSTCF-UHFFFAOYSA-N
+N(C1=CC(=CC(=C1)F)N2CCOCC2)[S](C4=C3C=CN=C(C3=CC=C4)C#N)(=O)=O,4594C6A45C7B8BFB_15218956A0905B32_6029_UN,8.571577,00000000000000000000000000000000110000000110000000010001011111101101010001010001110001111000001100101110011101011000011011101100111011111110001001111001010011110111110,MMGBRBTYCAKEND-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2=NC(=C(Cl)N2C[C@H]3[C@@H](CNC3)C4CCOCC4)C#N,9215A9CD015E6236_8C4C39624C6F3A13_6034_UN,8.571506,00000000000000000000000000000000000000100100000000000000010000100100000000010101101101110011000010101001000101000000001011100100110010100110001011011011010111101111110,FWLPDSVWLZTMHZ-ROUUACIJSA-N
+COCOC1=C(C(=CC=C1)C)[S](=O)(=O)NC3=C2C=NC=CC2=C(N(C)C)C=C3,EEFD6FD2E22C2033_3E2ED55F185E6E7F_6026_UN,8.571082,00000000000000000000000000001000110000000000000000010001001111001101010001100000110001101100011001100110011001001101010001111111001001011100111111101111110111111111110,JVECXBIRAKPEMN-UHFFFAOYSA-N
+O(CC1=CC2=C(C=C1)OC(F)(F)O2)C3=CN=C4C(=C3CN(C)C)C=CC=C4,9D6E03293035D3D3_0D9F82261B66382E_6035_UN,8.570631,00000000000000000000000000000000000000000010000000000000010000000100000010100000000101110000010111101100011101001101000011110111100000100110001111101110110111111111110,UGAWZSCXSGQMFT-UHFFFAOYSA-N
+ClC1=CC(=CC=C1)C#CC=CCC2(CCNCC2)C#N,12D4EDE5829368CD_A351085E3E863618_7019_DP,8.570528,00000000000000000100000000000000000000000100000000000000000000000010000000000000001000110001000000111001100100011000001001000000110000100110001001010001010100100111010,GBDHXMVAIGNHOW-UHFFFAOYSA-N
+FC2=C1C=CN(C(C1=CC=C2)=O)CC4CCN(C3=C(N)C=CC=N3)CC4,ABA50C1B5D03AA66_58EED45F43048E9A_6034_UN,8.570087,00000000000000000000000000000000000000100010000000000000000000100100000000010101000011110001100000101100010100110100011011100101110001110110001111011011011110100111110,QUDUPUXENRCKFR-UHFFFAOYSA-N
+BrC2=C1C=CN(C(C1=CC=C2)=O)CC4CCN(C3=C(N)C=CC=N3)CC4,BD3809233A3BAF51_4169524C670F6216_6034_UN,8.570083,00000000000000000000000000000000000000100000001000000000000000100100000000010101000011110001100000101100010100110100011011100101110001110110001111011011011110100111110,QGSOLWIPTBXIDG-UHFFFAOYSA-N
+COCC(C)(N)CCOC1=C(C2=C(C=C1)C=CC=C2)CN3CCOCC3,FA97A48B027D5817_A94B382DCD006056_6035_UN,8.570059,00000000000000000000000000000000000000000000000000000000010000000010000000010000000011100010010101101100110011011101101011100111110010000110001111111111110111111111110,NDWDOHPBHHIFGP-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2=C(N=CC=C2)[N]3C=CC=N3,35AD759F6782CDB5_C9C7F1908E64A254_6041_UN,8.569482,00000000000000000000000010000000000000100010000001001000100000110100001100010101100100010010001010100010000100000010000111101100001001110100001011001011000110111111110,UTWJCGAOCDFTQC-UHFFFAOYSA-N
+OC(=O)C1=N[NH]C2=C1C=CC(=C2)N[C@H]3C5=C(OC4(C3)CCCC4)C=CC(=C5)F,4DE9D18B8FDE3EDF_3F3A6270D56544DD_6041_UN,8.569451,00000000000000000000000000000000000000000010000000001100010000000110010000000000100100010001001111100100110100011100001011011100110111110101001011110001101011110111110,WGQYRIQEOUFZRZ-QGZVFWFLSA-N
+CC(=O)C1=C(C=CC(=C1)[N](=O)=O)NCC2=C(CC)C=CC=C2CC,5FC79FB91FC9C5FB_FCEC2BFA8C54BCEF_6041_UN,8.569378,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000000001001001001010000010000010000100101100111001011000011011101111111110111111110,RVGSADPRUFDYMP-UHFFFAOYSA-N
+O(CC(CC1=CC=C(C=C1)Br)C#N)C2=CC=C(C=C2)C3NCCCC3,4B780455D18853DF_34B4CEB667A05BF7_6035_UN,8.569107,00000000000000000000000000000000000000000100001000000000000000100000000000000000001000010011000001101000100101010100001001000111110000100110001101010001110111100111110,JBVNBWNPFZKWNF-UHFFFAOYSA-N
+O(CC(CC1=CC=C(C=C1)F)C#N)C2=CC=C(C=C2)C3NCCCC3,E2CC399F8AB0BDEC_873A52D848300CF0_6035_UN,8.5691,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000010011000001101000100101010100001001000111110000100110001101010001110111100111110,BEGBZPKUUZKKGQ-UHFFFAOYSA-N
+N(C1=C[NH]C2=C1C(=CC=C2)F)C(CC3N(C)CC=CC3)=O,E074D9C07591DF1E_358C36E54396AFB4_6038_UN,8.56887,00000000000000000000000000000000000000000010000000000110000000000100000000010001100101110001110011111100110100110001110011100100010111110100001001001011011110101111110,UHGHTTLMAOPQBL-UHFFFAOYSA-N
+C2(=CC1=C(C=CC=C1)S2)NC3=C(OC)C=CC(=C3)[S](=O)(=O)N(C)C,3EE435B89AC65A21_0801C7686C9C5A62_7022_UN,8.568844,00000000000000000000000000000000110010000000000100010001001111001001000001100000010100101000011110000110011000001100010000101111001001011100011111101111100011111111110,JUJAZAQMCIETPF-UHFFFAOYSA-N
+C2(=C1CCOC1=CC=C2)NC3=CC=CC(=C3C)C[S](=O)(=O)C,BD99F5781B12732F_141395311B06AFB4_7022_UN,8.568827,00000000000000000000000000000000000000000000000000010001011011000001000001000000000100101011010011000110010001001101101000001100001011011110000011111111110111111111110,FRLNDSKXILOCRB-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2)N[C@@H]3CCN(CC)[C@H]3C4=CC(=C(C=C4)Cl)F,C367E03A05EB7E7B_369B06F181B541D8_7022_UN,8.568644,00000000000000000000000000000000000000000010000000000000010000100000000000010001100101110011000010101101110111010110101011100100110011110110001011011011110111101111110,QKISPNDHRDPDNY-CTNGQTDRSA-N
+N1CCC[C@@H]1CCOCCC2=CC=CC(=C2)OC(F)(F)F,3EF9E7C537FD0721_9E6ED4C910955D08_6039_DP,8.568214,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100100011000011001000101101011100001001000011110010100110000100010001110111110111110,SCIYOXZKOFBBBK-CYBMUJFWSA-N
+N3CCC1=C(C=C(C=C1)OC(C2=C(C=C(N(C)C)C=C2)C)=O)CC3,9E0AC7FB4D59AC5C_4A35EA37A53A0DF1_6038_DP,8.56813,00000000000000000001000000000000000000000000000000000000000000000000000000100000001001100000010000001100110000010100001001110111110001010110011111011111111011111111110,SMBQPTYBBBDPSR-UHFFFAOYSA-N
+CCOC(OCC)C(C)(C)OC2=CC=C([C@@H]1[C@H](C)CCNC1)C=C2,A83C0942D3A2082B_91D3FF5A8761B930_6035_UN,8.567696,00000000000000000000000000000000000000000000000000000000000000100010000010100000001000100001000000101000100011011111101001010011110000000110010101110111110101111111110,IXPZGPLFLPYBOG-QAPCUYQASA-N
+C[N]1N=CC2=C1C=C(C=C2)NC4=CC=C(N3CCN(CC)CC3)C=C4,87A2658C0B374E30_A4FD12F7DB854629_6041_UN,8.567515,00000000000000000000000000000000000000000000000000001000000000100100000000010001100101100000011010101100010010010010101011101100110001010110001001011101010110101111010,RIHZFXPJLXBNAL-UHFFFAOYSA-N
+O(CCCC1=CC2=C(C=C1)OCCO2)CC3=CN=C(N(C)C)C=C3,3FA332D6A926946B_B1D4CB5C08BA76C3_6039_UN,8.5672,00000000000000000000000000000000000000100000000000000000010000000100000010100100000001100000010001100100010001000100001011100110110011010110001011111100110111111111110,KRNVXQDTNGCPMU-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3=NOCCC3,D35ACD92B6ED1A1A_BD6546EB22D19E00_6034_UN,8.566962,00000000000000000100100010000010000000000000000000000000010000000100000100110011000101100000011011101110010001011000001111101100110010000110011001011100010111101111110,SQGNKNGPXCWZLM-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NCCOC2=C(C=C(C)C=C2)C,3CB0E9C122CA65C0_9172E0152C107364_6041_UN,8.566906,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000000000111101101010100011110100011101101111001011010110111111111111110111111111110,GUPFBHRQRZTLDR-UHFFFAOYSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)NC3=C(OCCN(C)C)C=C(C=C3)C,3D13E591C758545D_D52E6ED50E845508_6026_UN,8.566705,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101001011100001110011001011101111000101111001011011010111111111111110111111111110,LNGAAEHPAQDJCT-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C(=CC=N2)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,DBB5BAE671E62290_6783EC27E9B422F6_6041_UN,8.566696,00000000000100000000000010000000000000000000000001000000100000010110001100100000100001100001011000100110110000011000100101101100101001010100001001001101000010111111110,LYVSZXAMCDQLSO-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)[N](=O)=O)NC2=C(OCCOC)N=CC=C2)C,C57A1E4604672C17_198C48DCE9F6B5FB_6041_UN,8.566682,00000000000000000000000010000000000000000000000001000000100000010100001110000001000000100001111101100010000001100101111101101111001011010110111111111111010111111111110,JBONPMVFTNJFLV-UHFFFAOYSA-N
+N(C1=C2C(=CC=C1)OC=C2)[S](C3=C(C=CC(=C3)N(C)C)C)(=O)=O,3D6555E9C55D0100_6C1B66BEA6697751_6029_UN,8.566243,00000000000000000000000000000000110000000000000000010001011111001001010001100000010101101000011011000110011000001000010000101100001001011100011011101111100010111111110,FAYODGRHYQMGFA-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC4(CC3=CC(=C(C=C3)F)C)CC4,15F9604FB2B7467D_C2014EA42554AEBC_6041_UN,8.566206,00000000000000000000001000000000000000000110000000000000000000000110000000000001000100010010000010000100110110011000000001000100010101110100001011010011000110101111010,JXCNQAPHAHHJQJ-UHFFFAOYSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NCC3CC(C)NC3,471E3607E9989DD8_ABF049C1C1C6DFFD_6041_DP,8.56619,00000000000000000000000000000000000000000010000000000100000000000100000000000001101100010011000010101100110110010001100011000100010101110110001011000111010110101111010,YHUJDWDJSNCTIN-UHFFFAOYSA-N
+CO[C@H]2C[C@@H](COCC1=CC=CC(=C1)SC(F)(F)F)NC2,1A8BBB25B5B3542E_0708A8429CFCB6C9_6039_DP,8.566167,00000000000000000000000000000000000000000010000000000000000100001000000000000000011100101011010111001000101101011000100001000011110010100110000100000001110111111111110,XRZNAZBWUYGMOF-RYUDHWBXSA-N
+CC2=C1N(C(SC1=CC(=C2)Cl)=NN)CC3(CNCC3)C(F)(F)F,9ABA37771D5714FA_37E8F139FDFCE1CA_6034_UN,8.566088,00000000000000000000000000000000000010000010000100001000000000000110010000010111111111111011001010001101111110011000001111101100110101110110001010011011010110101111010,JEAVCMQAENFVDM-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCN([C@H]3CCN[C@H]3C)C)C4CCNCC4,2F501A6B2A370734_F4267BBFFA5DAD8B_6034_UN,8.566034,00000000000000000000000000000000000000000000000000000000000000100100000000010001101101100011010010101100110010010001101011100100110101000110011001011111010110101111010,ACNBRAPDZCJIIJ-UWJYYQICSA-N
+C2(=C1SC=CC1=C(C=N2)C#N)NC(C)(C)C3=CC4=C(C=C3)OCO4,899903F98C1AF0C2_74B6A272EF9C5E02_6041_UN,8.565569,00000000000000000000000000001000000010100100000000000000010000000110000010100100110100001000000010100100010001001100000011010100000001010100001011000101110011111111110,LFNVCSBDRAFCOM-UHFFFAOYSA-N
+COC1=C(C(=C(C=C1)Br)F)N[C@@H]2CNC[C@@H]2CC3=CC=CC=C3,97883717F3159FF5_2E7189CBE7BF7464_7022_DP,8.565339,00000000000000000000000000000000000000000010001000000110000000000000000000000001101100110011010110001000100100010100000001000111110101110110001111000011110111101111110,IPILWYDKCZTCOB-DZGCQCFKSA-N
+CN(C)[C@@H]3CC[C@H](COC1=CC(=CC=C1)C2=CCCNC2)C3,8721ED8879642E69_EC0D29F59E237778_6035_UN,8.564889,00000000000000000000000000000000000000000000000000100000000000100000000000101000001001100001010010111000100011010100101001100011110001000110001101011101110111101111110,CHBCTGXOUIMSNP-MAUKXSAKSA-N
+N3CC1=C(C=C(C=C1)COC(=O)C2=CN=C(C=C2)C#N)C3,C9B53A273BC50C1B_DD0640D659BFEA43_6038_DP,8.564772,00000000000000000000000000000000000000000100000000000000000000000100000000000001001100100001000011101100010001000000000011010110110000000110001011000001011111110111110,XNUNJXGKCLSIER-UHFFFAOYSA-N
+BrC2=C1N(C=CC(C1=CC=C2)=O)CC34N(CCNC3)CCOC4,8F0BF342DC86A63B_E698BF289CD8CC79_6034_UN,8.564321,00000000000000000000000000000000000000000000001000000000010000000110000000010001101001110011000101101100110101011100001011100101110010100110001101011001111111110111110,ZRHWBGCHEONKGG-UHFFFAOYSA-N
+C[C@H](OC1=CC2=C(C=C1)OCCNC2)CN3CCNCC3,8EAB904A4462F345_7ADDDF2FCFFA4052_6035_UN,8.564014,00000000000000000001000000000000000000000000000000000000010000000000000000010001001001100001000101101100110011010101001011100011110110000110001111011001110101111111110,YUAPJBBKUCTPDP-ZDUSSCGKSA-N
+N(CC1=CC2=C(C=C1)CCOC2)[S](C3=CC(=C(C=C3)C#N)Cl)(=O)=O,1911C808920BC30B_4B3B805FA107FC40_6028_UN,8.563985,00000000000000000000000000000000110000000100000000010001011111001001010001000000011000111000001000101111011101001000011000001100111010101110001011111011010111110111110,JIQALMVPFRGUIE-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)CCOC2)[S](C3=CC(=C(C=C3)C#N)F)(=O)=O,F33C758ED5A9BFC2_9D6E6EB18B80B000_6029_UN,8.563954,00000000000000000000000000000000110000000110000000010001011111001001010001000000011000111000001000101110011101001000011000001100111010101110001011111011010111110111110,URLPIIDHDSOLIW-UHFFFAOYSA-N
+N4C[C@@H]3CN(CC1=NC=C(N=C1)NC(C)(C)C2=CC(=C(C=C2)F)F)C[C@]3(C)C4,4C1C5B8D52DBB84D_1A1E6413166C5E87_6041_DP,8.563728,00000000000000000000000000000000000000100010000000000000000000000110000000110101101101110011000010101100010110011001100011100100110101110110011011001111010110101111010,OOLMZXIZTXPQDJ-VFNWGFHPSA-N
+CC1=C(N=C(C=C1)C#N)NC2=C(C=C(C)C=C2)[N](=O)=O,34087AD31E476C4F_A78CC95DD988936A_6041_UN,8.56372,00000000000000000000000010000000000000100100000001000000100000010100001100000101000000000000001001100010000000000000000101101100001001010100001011001111000010111111110,LJHMAQLIXKPQQM-UHFFFAOYSA-N
+CC(OC1=C2C(=CC=C1)CNC2)CN3CCCNCC3,2493C477CA598B35_087B5409A8384DB5_6035_UN,8.563593,00000000000000000001000000000000000000000000000000000000000000000000000000010001101101100011000111001100110010010101001011100011110110000110001110011001110101101111110,IEMIHTKMYCBPCW-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)NCCC4=C(C(=C(OC)C=C4)OC)Cl,04E5AD99A7946440_DA99B9F0AC0DD025_6026_UN,8.563422,00000000000000000000000000000000110000000000000000010001001111001101010011010000011101011000011010001111111100011100011001101111001000101100111111111111110111111111110,LNNBVVWIWKTYPY-UHFFFAOYSA-N
+CC2=NC1=C(C=CC=C1C2(C)C)NC3(CNC3)C4=NC=C(C=C4)F,65F5B659C613CFAB_AA5A7ED2850F900F_6041_DP,8.563347,00000000100100000000000000000000000000000010000000000010000000100110000000100011101100110011000010101100110100011000000111000100000101110110011011000111010010101111010,CYLUYLZYFAYMMK-UHFFFAOYSA-N
+COCCOCCCOC1=C(C=CC=C1Cl)N2CCNCC2,C2B8BFD12BE328C7_DB689548DBDB28F4_6035_UN,8.563175,00000000000000000000000000000000000000000000000000000000000000100000000010010001001001110101010100101001100101010101101011100011110011110110001111111011110111111111110,YQRLOKBHFONONG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NC4=C3C=NC=CC3=C(C=C4)[N](=O)=O,FC58344FA51E99AA_B424346D0E46C598_6041_UN,8.562824,00000000000000000000000010000000000000000100000001000000100000010100001100000000100000000000001000100110010000000000000101101100001001010100001001001001000010110111110,MQOCDPVSLULPBK-UHFFFAOYSA-N
+N2CCC(OC1=CC=C(C(C)(C)N)C=C1)(CC2)C(Cl)(Cl)Cl,47532C1D48D9FE1E_73D56395596A3F9F_6035_DP,8.56261,00000000000000000000000000000000000000000000000000000000000000000010000000100000001010100001000001101001101100011100001001000011110110100110001101010101110011101111110,OMCWJQGLZCZMCV-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[NH]C(=C2)NC(CC)C3CCOCC3,948F434B1FF7AD7B_3BEA3E9A1CEFD9F1_6041_UN,8.562448,00000000000000000000000000000000000000100011000000000000010000000100000000000100000100110011000010100100110111010010001011000100110111110110001001010001010111101111110,RWDLUAOCKNKKSD-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C=C(CCC)C=C3)C#N,1D8086B25687F445_0BBA7809C80D5B0A_6041_UN,8.561978,00000000000000000000000000000000000000000110000000000000000000100000000000010000100101010000100010001000000100110011011001100101010011110100001111011011011110101111110,YTTWZQOFVMLZRN-UHFFFAOYSA-N
+FC2=C1C=C[NH]C1=CC=C2NC3=CC(=C(C=C3)SC4CCCC4)F,9E1D1C950BA252D6_5E896C7F22892402_6041_UN,8.561952,00000000000000000000000000000000000000000010000000000000000100001100000000000000010100011000000010000100010100000000001001000100010101110100001011010011000010100111010,XOGYZBIZUKXTPA-UHFFFAOYSA-N
+C(C1=CC(=CC=C1)C2=CC(=C(C=C2)C#N)F)N3CNCC[S]3(=O)=O,20140CD7FDF9C024_FA9C0B92D7643A19_6036_UN,8.561952,00000000000000000000000000001000110010000110000000010001001011100001000001010100111000111011001001101010101100011000011011101101111010101110001111011011010110110111110,BAHVAYBXEDBPNR-UHFFFAOYSA-N
+CCCC3(COCC1=CC(=CC2=C1N=CC=C2)F)CCCN3C,88DC4E6390278AC0_8DBB8AD93F738F70_6039_UN,8.561872,00000000000000000000000000000000000000000010000000000000000000000110000000010000000101110000010111101100010111011011101011100110110000100110001001011110010111101111110,DIMYXUCJEDFZEC-UHFFFAOYSA-N
+N(C1=C(C=C(C=C1)F)[N]2C=CC=C2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,3F1C7F969569BC32_ECBB02BCE4386635_6029_UN,8.561586,00000000000000000000000000000000110000000010000000010001001111101101010001110001010101111000011110000010001100001100010001101111001001111100011111101111100011111111110,BIXASMXYIVHRFB-UHFFFAOYSA-N
+N(C1=C(C=C(C=C1)Cl)[N]2C=CC=C2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,755EFA14442C3F15_79C36C00E705BBF0_6029_UN,8.561576,00000000000000000000000000000000110000000000000000010001001111101101010001110001010101111000011110000011001100001100010001101111001001111100011111101111100011111111110,KWIKIRASCDQPGQ-UHFFFAOYSA-N
+FC1=CC(=C(C(=C1)F)N[S](C2=C(C=CC(=C2)OC)C)(=O)=O)C#N,C36586919435476C_A689761050E0CC7B_6043_UN,8.5614605,00000000000000000000000000000000110000000110000000010001001111001001010001000000110000011000011000000010001100001100010000001111001001111000001111101111100011111111110,NEPWSUOEHLYDDT-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCN4CC(C)C4,EE46EE535DDEDCA3_E92578C8E77D66D9_6034_UN,8.56143,00000000100100000001000000000000000000000010000000000000000000000100000000010001101101110011000010001100110110010001001011100100110000100110001010011001010110101111010,UMMYAKUUPMDFAB-UHFFFAOYSA-N
+O(C(=O)C1=NC2=C(C=C1)C=CC=N2)CC3(CN(C)C3)CCl,C52A4F23ACB24A22_79FC2B83B6A3B48D_6031_UN,8.561377,00000000100100000000000000000000000000100000000000000000000000000110000000010100000001100000010101101101010011001001000011110110100000100110001001001000011111111111110,NIKBWYTWNFRTSZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2CC#N)NC[C@@H]3CC(CN3)(C)C,0C5B635E21118BB5_2DC785ABB00F1FDE_6041_DP,8.561357,00000000000000000000000000000000000000000100000000000010000000000110000000100001001100000011000010001100110010011001000011000100110101010110001000000101010110101111010,BGBFTNYLFAJDGT-AWEZNQCLSA-N
+FC1=CC(=CN=C1)C2=C5C(=CC(=C2)C=CC4=CC3=C(N(C)CCC3)C=C4)OCO5,FD5C1FF12333DC3D_965E2E5EF6474706_7019_UN,8.56131,00000000000000000000000000001000000000000010000000000000010000100100000010010000000101110000010010111100010111010101101011110100100000110110001011011000110011111111110,JQPCFSGQSBEVDW-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(CN)C=CC=C2Cl,5F0010566C43604F_D4C744B57D4375D9_6035_UN,8.560538,00000000000000000000000010000000000000000000000001000010100000010000001100000001101010010001001101001011100101010100001100101111101111110010001111111011110111110111110,ZSRKVVYVAHYXES-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(CN)C=CC=C2Br,B31B50E2FC29AD31_5C58530532AA7763_6035_UN,8.560511,00000000000000000000000010000000000000000000001001000010100000010000001100000001101010010001001101001010100101010100001100101111101111110010001111111011110111110111110,FJZFDLNPLQANOK-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(CN)C=CC=C2F,105A6CD29D0CD5CE_5A0E821F17FC7604_6035_UN,8.560502,00000000000000000000000010000000000000000010000001000010100000010000001100000001101010010001001101001010100101010100001100101111101111110010001111111011110111110111110,CMLSNSOZIWFKNA-UHFFFAOYSA-N
+O(CC1(CC=CCO1)C(F)(F)F)C2=CC(=CC=C2)C3=CN=C(C=C3)F,7718050AD147A378_E9FEA9478D7B8A71_6035_UN,8.560412,00000000000000000000000000000000000000000010000000000000010000100110000010000000000000010000000000110000001101001100000011000111010010100110000101000000110111010111110,OQQMAVRYEYBWRF-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)F)NCC2=C(N(CCOC)C)C=CC=C2,D176D0550200D5E2_87D75FBA374072F5_6041_UN,8.559926,00000000000000000000000000000000000000100010000000000000000000000100000000000100101001110000010100101000000111010101101001100111100011110110011111011111110111111111110,MRICBGKFNJSAFM-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)NC5=CC(=C(C4=NN=N[N]4C(C)C)C=C5)F,E6C231B1AEDD8C80_34F592F3B30F2039_6041_UN,8.559822,00000000000000000000000000000000000010100010000000001010000000100100001000110101100100111011001010100100110100010000001011101100111101110110001011011111010010101111010,BGRFCVFWMOKIQO-UHFFFAOYSA-N
+N([C@H]1C2=C(OCC1)C(=CC=C2F)F)C(=O)C3=C[NH]C4=C3C=C(C=C4)F,93B945891704C08D_1F18200280C2DA28_6038_UN,8.559707,00000000000000000000000000000000000000000010000000000100010000000100000000000000100100010010100011100100110101110100011011000100000111100100001011010001111011110111110,PPFQFPUDYPGUSX-OAHLLOKOSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NCCCN2CCCCC2,2FD268A2BE8BF581_F4AA32E103DA437A_6041_UN,8.559585,00000000000000000100100000000010000000000000000000000000000000000000000000110000101001100010010000101000100000011000001001100000110001010110011001011101010110101111010,XDPGKIFOIOOMTK-UHFFFAOYSA-N
+CC1=C(N=C(S1)NCC2(CCNC2)C(C)(C)C)C3=CC=C(C=C3)F,6B69E15B3FC86FA3_1BFC8F34C4C386C1_6041_DP,8.559579,00000000000000000000000000000000000010000010000100000100000000100110000000100100111100111011000010001000101110011000101011000100110101110110011010010111010110101111010,RLPGHZSISHIEHN-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)C#N)C#N)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C,A9997061AEBE3296_D86C4BBA8A7FF3A9_6041_UN,8.559493,00000000000000000000000000000000000000000100000000000000000000100000000000010000101101100011010010001000000010010101101001100111110001010110001111011111110111101111110,HESBGFYWABTUOS-DYESRHJHSA-N
+CN(C)CC1=C(C=C(C=C1)NCCSCC2=CN=C(C=C2)Cl)F,42A6A828B2BE1E7C_F9E895176056FAE8_7022_UN,8.559339,00000000000000000000000000000000000000000010000000000000000000000100000000100000001001111001010000101001100100010001001001100100010001110110001011011111010110101111010,BFKLMTOXWDZHSQ-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCOC2=CC(=CN=C2)Cl,CFDE7388F480C054_C3B9E032960D335B_7022_UN,8.55892,00000000000000000000000000001000000000000000000000000000000000000110000000100000001000110001010100101001100101011101001001010111000011110110011111110111110111111111110,KYVYOTMHZIKUIT-UHFFFAOYSA-N
+CN1C(=O)C3=C2C1=CC=C(C2=CC=C3)[S](=O)(=O)NCC4=C(C=CC(=C4)OC)OC,C5A56BC564E9225F_F526E952D010F36B_6026_UN,8.558818,00000000000000000000000000000000110000000000000000010001001111001001010001010000011101001000111011001110011010101100010001101111001000011100111111101111111111111111110,ZVPLOGLHRHHJMF-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)NC2=CC=CC(=C2OC)F)[N](=O)=O,13BB27781A9EE66D_6097DED19A850C81_6041_UN,8.558792,00000000000000000000000010000000000000000010000001000000100000010000001100000000100000010000011100000010000100000100000100101111001001110000001111101111100011111111110,KFMDDOIIIFGERY-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)NC2=CC=CC(=C2OC)Cl)[N](=O)=O,C1D3168D5AD151A3_C17B9C8D6B599D80_7022_UN,8.5587635,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000010000011100000011000100000100000100101111001001110000001111101111100011111111110,WQQNUVBQYBLVSY-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)C2)NC3=C(C)C=C(C=C3C)SC#N,E5B0B880C20FC385_6D918870EC153396_6041_UN,8.558636,00000000000000000000000000000000000000000100000100000000010100001000000010000000010000001001000000100100010001000100000000000101100011010100001111000111111011111111110,PLHAWTBDCOACFK-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CNC2)CC3=C(C=CC=C3)CCCl,5635B9078F107494_5DD2982C24582F2C_6031_UN,8.558502,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100001000010001101010001000000001001010110110000100110000011010011011101110111110,DLOZQJPBIIVRHA-UHFFFAOYSA-N
+C([C@]12C[C@H]1COC23CCC3)=CC4=C(Cl)C=CC5=C4OCO5,FEEF58DACA758FE9_6C53C46CA5394072_7019_UN,8.558274,00000000000100000000001000001000000000000000000000000000010000000010000010000000000100010000000010110101010101001100001010010000110010100110000011110010110001010011110,PDWZVFFZJRQHDO-ZBEGNZNMSA-N
+CCC1=C(C=C(C=C1)[N](=O)=O)NC(C2=CC=C(C3=C2CCNC3)F)=O,5A46D1F8DCC99449_CDCEAF1CCE3ADB8C_6038_DP,8.558268,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110011101000101110110100110010011101101100111101111110001011111011011110111111110,DBWYJVBJAVSBFN-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=NC=C(C=C1)NC(COC)C2CCCO2,EEBD6AC9178A35A4_FA49E798E813E8EC_6041_UN,8.557911,00000000000000000100100000000010000000000000000000000000010000000100000000100001000100100111010110100000100001011001001011000010110011010110011000011101110111111111110,QATKIXFMSVPVLN-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Cl)Cl)CC3,77C3E003B8DE9A1A_46E24636C1410F86_6035_DP,8.557648,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,KKGSSQQVVPWPIY-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Br)F)CC3,453E1896C369BDF5_3A87C20802AD1CFD_6035_DP,8.557647,00000000000000000000001000000000000000000010001000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,ZDNTYVUUXPXLRM-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Cl)F)CC3,EBE4560DD5910261_B5B6CC5DE930F5A5_6035_DP,8.557646,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,GPUGFTWJDLHYBU-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)F)Cl)CC3,BEAB5A31BC2B55D7_ED9FB34D1C1D7907_6035_DP,8.557644,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,JBIVPFBBNNEKQM-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)F)Br)CC3,A5991F624E9FEA7F_1ECE3E7194CAF728_6035_DP,8.557642,00000000000000000000001000000000000000000010001000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,FNHZSLNHTXESDE-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)F)F)CC3,490FFB1EC7A53CC4_AF94716866A4A579_6035_DP,8.557642,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,XWNGXDQMZYQMGR-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Cl)Br)CC3,9922F5EF8E58FF2D_D9142E944CB0C992_6035_DP,8.557641,00000000000000000000001000000000000000000000001000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,ULRXPAVUQUEWDR-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)I)Cl)CC3,01F0874082908215_C36F664E8F18953C_6035_DP,8.557641,00000000000000000000001000010000000000000000000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,ZIKCNZYSCHGKKX-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)Br)Cl)CC3,B0454DCD29E691CE_3E047D3B64BF3E0E_6035_DP,8.557637,00000000000000000000001000000000000000000000001000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,FHQJVCHVGDJAPG-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC(=C(C=C2)I)Br)CC3,FD835129454DFE04_3AAE12BE570D349F_6035_DP,8.557634,00000000000000000000001000010000000000000000001000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,CNFQSUCLOYPILI-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)NCC3(OCCNC3)C,CB768B6077CB42A1_C4724770A71D821A_7022_DP,8.55681,00000000000000000000000000000000000000000000000000000100010000000010000000100000101001100011010100101100110011011001101011100100110111010110011001011101110111101111110,QAPKPZMMJXLHKC-UHFFFAOYSA-N
+N3CCC(C(OC2=CC=C1C=CC=CC1=C2OC)C3)C4=CC=C(C=C4)F,979374692A875792_5A7A94DC025B3358_6035_DP,8.556544,00000000000000000000000000000000000000000010000000000000000000100000000010000000001000110001010100101100110100010100001001000111110010100110000111010011110001111111110,VEECNHQZTLMLOC-UHFFFAOYSA-N
+C[N]1C=C(CC#N)C2=C1C=C(C=C2)NCC3=NC=C4C(=C3)OCO4,85C8857C423D0604_7D52632DAE42E077_6041_UN,8.556391,00000000000000000000000000001000000000000100000000000000010000000100000010010001101101000000010111101100010011010100000011110100000001010110001011001001110111111111110,VFBHQOKSGYFDAQ-UHFFFAOYSA-N
+COCOC1=CC(=CC=C1)[S](=O)(=O)NC2=C(C=C(N(C)C)C=C2)C,FDEE3FE1B6647AFB_A1EBF3F52A01D8D3_6026_UN,8.556328,00000000000000000000000000001000110000000000000000010001001111001001010001100000010001101000011000000010001001001101010000111111001001011000111111101111110111111111110,FDLVGCJMHDGRBJ-UHFFFAOYSA-N
+O(C2CCN(CC1=CSC=C1)CC2)CC3OCCN(C(C)C)C3,0DC774273DFACF73_5F39407130C93529_6039_UN,8.556256,00000000000000000000000000000000000010000000000000000000010000000000000010110000000101101000000111101000000011010000101011100011110010000110001101011100110111111111110,KPYBPDZHWWSUDX-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)CC#N)[S](C2=CC(=CC(=C2)CC#N)F)(=O)=O,608A8A60C8557DBD_B1866D8467CE230E_6029_UN,8.556227,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011001001000000010001100011000010000001100001001111000001001001001000110110111110,COYZQGHVVAUMCI-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COC2)[S](C3=CC(=C(COC)C=C3)C#N)(=O)=O,F18AC7806ABE97D1_24EDDB04EE6A6FD4_6029_UN,8.556199,00000000000000000000000000000000110000000100000000010001011111001001010001000000010100101001011010000110011001001001010000001110011001011110101011101011010111111111110,DTKOTKJAKLKOGI-UHFFFAOYSA-N
+COCC1=CC=C(C=C1)[S](=O)(=O)NC2=C(CCN(C)C)C=CC=C2,4A825DF362B0D6BF_C59A12FB5259F0A5_6026_UN,8.55607,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001101011011000001010001001011001111000101110001001011010011011111111010111111111110,MIWRNFWJRXRPIJ-UHFFFAOYSA-N
+CC1=CC4=C(C(=C1)NCC3=CN=C(N2CCN(CC)CC2)C=C3)N=CC=C4C,7279CF6FF5F6759E_40EBBFF7E1233E4A_6041_UN,8.555681,00000000000000000000000000000000000000100000000000000000000000100100000000010101101001100000000000101100010010010010101011100100110001010110011001011101010110101111010,XJGAHDRBMOJYOC-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)OC2=C(C=CC=N2)C#N)NC3=CC4=C(C=C3)[S](CC4)(=O)=O,F2737455EB4D045B_08348DF1C51EBEEF_6041_UN,8.555674,00000000000000000000000000000000000010000100000000010001001111000101000001000000110100001001100111100110010000101100011011001111001011011100001111111011110011111111110,HNKBCMGJLACMPJ-UHFFFAOYSA-N
+CC(C)(OC2=C1C=CC(=CC1=NC=C2)Cl)C3(COCC3)N,B011FC913A9F0830_1BBCEB959DEB03FC_6035_UN,8.555641,00000000000000000000000000000000000000000000000000000000010000000110000000100000000110110111000111100101110111011100101011000111010011100110001101010101110011111111110,UIVUXYBRDGTAJJ-UHFFFAOYSA-N
+CC(C)(OC2=C1C=CC(=CC1=NC=C2)Br)C3(COCC3)N,AADD6C5F1250BF79_42A853751FBC7021_6035_UN,8.555637,00000000000000000000000000000000000000000000001000000000010000000110000000100000000110110111000111100100110111011100101011000111010011100110001101010101110011111111110,AKKLJBKEIJGWKH-UHFFFAOYSA-N
+BrC2=C1C=CN(C(C1=CC=C2)=O)CC4(C3=CC=C(N)C=C3)CCCC4,181C763BA928D5E3_61BBB35B5B0F0C8A_6034_UN,8.5556,00000000000000000000000000000000000000000000001000000000000000100110000000010000000011010000100010101100010100101100011001100101110001110100001111011011011110100111110,RCSLOEXVKPTCSB-UHFFFAOYSA-N
+FC2=C1C=CN(C(C1=CC=C2)=O)CC4(C3=CC=C(N)C=C3)CCCC4,D294F461BCC817AF_783C35487F04E006_6034_UN,8.555574,00000000000000000000000000000000000000000010000000000000000000100110000000010000000011010000100010101100010100101100011001100101110001110100001111011011011110100111110,FMUZKRHWEZHAHD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NC4C(N(C)CC4)(C)C,869202B0C6D9CED8_8A0B69237971D469_6041_UN,8.55556,00000000000000000001000000000000000000000000000000000000010000000010000000110001100101100111010111101100110011011101101011100011110011010110011111111111110111111111110,ZJHKJOKKUVVPQY-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C2=C[N](C(=N2)C3CCCN3)CC4(CCNCC4)C,BB3C1E23B5BD5E14_467B9C0EBEF9F8AD_6034_DP,8.555464,00000000000000000000000000000000000000100010000000000000000000100110000000010101001101110011000010101000100100011001101011100100110100100110001011011011010110101111010,ISNNEJSNQDCRMH-UHFFFAOYSA-N
+O(C(=O)CCC1NCCNC1)CC2=CC(=CC=C2)C3=CC(=C(C=C3)C#N)F,D9D323EC3A736D74_7512A6EE5C4AE78D_6031_UN,8.555441,00000000000000000000000000000000000000000110000000000010000000100000000000000001001000110011000000101000100101010000001011010110110110100110001011010011011111110111110,HCXANJRUWQIFCC-UHFFFAOYSA-N
+O(C1CC(NC1)C2=CC(=CC=C2)F)C3=C(C=C(C=C3Cl)F)C#N,0BBAD24BE5C391FF_55CDCD1A89F100DA_6035_UN,8.555415,00000000000000000000000000000000000000000110000000000000000000100000000000000000001100010011000111001001100100010100000001000111010010100100001111000011110011100111110,QRRJIPSHGDKPMY-UHFFFAOYSA-N
+O(C1CC(NC1)C2=CC(=CC=C2)F)C3=C(C=C(C=C3Br)Br)C#N,7AE4CDF4A57E7287_D85534348AB8D126_6035_UN,8.5554085,00000000000000000000000000000000000000000110001000000000000000100000000000000000001100010011000111001000100100010100000001000111010010100100001111000011110011100111110,YCXZWCBPWKEBDU-UHFFFAOYSA-N
+N3CCC(OC1=CC=C(C=C1)C2C(F)(F)C2(F)F)(CC3)C4(N)CC4,9D5E9C6A153C737B_454B1F296F8A06E0_6035_DP,8.55504,00000000000000000000001000000000000000000010000000000000000000100010000000000000001010110011000101101000100100011100001001000011110111100110001101010011110011100111110,AFBAIUIWWNCZHF-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)C#CC(F)(F)F)C2=CC(=CC(=C2)F)C3CCCNC3,34CA0A1D8D922162_D5C1C5FD9F6F5C47_6035_UN,8.554885,00000000000000000100000000000000000000000010000000000000000000100000000000000000001000110011000000101000101101011100001001000111110000100110000101010001110101100111110,FIYMOOFJNYAYBB-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)F)C)NCC3=CC4=C(C=C3)[N](C(=N4)CC)C5CC5,9B15D5C60C913016_8A3F7323DAC382B8_6041_UN,8.554727,00000000000000000000001000000000000000100010000000000000000000100100000000010101001101010000000010101100010110010010000011100100100001110100011011011111010110101111010,WTWGAZYUDHEUDC-UHFFFAOYSA-N
+ClC2=C1C=CC(N(C1=C(C=C2)Cl)CC3(CCNC3)C4=CC(=CC=C4)F)=O,5CD5BF12FF118EDF_E8677C61404B745F_6034_UN,8.553968,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011100010101101110100111100011011100101110000100110001111011011011110100111110,LLMSRYDRDIVHKH-UHFFFAOYSA-N
+ClC2=C1C=CC(N(C1=C(C=C2)Br)CC3(CCNC3)C4=CC(=CC=C4)F)=O,B989A06194BAD222_61A5261724918F3B_6034_UN,8.553967,00000000000000000000000000000000000000000010001000000000000000100110000000010000101101110011100010101101110100111100011011100101110000100110001111011011011110100111110,WNDJGXARYNZNIJ-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COC2=O)C(C3=NC=CC4=C3CNCC4)=O,5A13214A99587464_9E9C095F1781C7E8_6038_DP,8.5535145,00000000000000000000000000000000000000000000000000000000010000000100000000000001101100100001100110101100110001110000011011010101110101011110001111110001011011110111110,OOKUYPNOYXQKDB-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)N=CC=C2)NCC3N(CCN(C)C3)C,CAF0F3480176808B_BF59AA15C86D7F8B_6041_UN,8.553354,00000000000000000000000000000000000000000000000000000000000000000100000000010001101001100011010000101100010010010001101011100100110001010110001001011111010110101111010,DEKTWGQGNWSBRQ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N5CC4=C(CNC4)C5,A5430C4BEEF9F9EE_E0F4DC727817DA91_6026_DP,8.553313,00000000000000000000000000100000110000000000000000110001001111001101000001011000111100101011001110111110011000001100010011101111111000001110001101101001110011110111110,IXKBANFSPHVIJV-UHFFFAOYSA-N
+O(CC2CNC1=C(C=CC=C1)C2)C3=CC(=C(C=C3Cl)C#N)C,A22D52EB79310EF3_032DD941423CB75A_6035_UN,8.553089,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000010010000001101101010101000100000001000111100000110110001111000011110111101111110,OVQIEIKLDNEEOV-UHFFFAOYSA-N
+N(C1C(N(CC1)CCF)=O)C(=O)C3=C2N=CC=CC2=C(C=C3)F,732837335FC94560_F05D44098444613B_6038_UN,8.55291,00000000000000000000000000000000000000000010000000000000000000000100000000010001100101110011100111101100110100110000011011100101110001101110001101011011011110110111110,XOCUTZKNBQIECE-UHFFFAOYSA-N
+O(C1(CC1)C2=CC=C(C=C2)F)CC3=CC(=C4C(=C3)OCO4)C5=C(C)[N](N=C5)C,7108D78CCBAA55A7_4C502472E7D96951_6039_UN,8.552697,00000000000000000000001000001000000000000010000000001000010000100110000010010000100100010000011010000100010101001100000011111111110010100110001111111110110111111111110,AQSROYZOIBAXGN-UHFFFAOYSA-N
+C(C(=O)NCCC2=C1C=CC=CC1=CC=C2)=CC3=CC(=CC(=C3)[N](=O)=O)F,F31F6750970C9E64_3C045DD05ADC25F9_7019_UN,8.552458,00000000000000000000000010000000000000000010000001000000100000010000001100000000001000010000101000011110110100110000011100101100001001111000001001111001011110110111110,PCONBMBTDOMNNQ-UHFFFAOYSA-N
+C1(=C(C=C(C=C1)OCC(F)(F)F)F)NC2CNCC2C#N,7FEF856B247A795C_C9604DD164C21CA3_7022_DP,8.55234,00000000000000000000000000000000000000000110000000000110000000000000000000000001101100110011000010001000101101011100000001000011010101110110001110000011110111100111110,JNVRZBQAVRGCPT-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)NCCOCC2=C(OC)C=CC=C2)C3(CC3)C#N,DFC6330EC7F7A059_2356A55FF0C55955_6041_UN,8.552311,00000000000000000000001000000000000000000110000000000000000000100010000000000000001000110101010100001000100111011100001000000111010011110010001111010011110111111111110,AOONXKYNZVZSTE-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)NCCNC2)CC3=CC=C(C=C3)Br,B13B7BC5F16E27B3_2755D62463A5CED1_6035_UN,8.552303,00000000000000000001000000000000000000000000001000000110000000000000000000000001101010110011000001001100110101010100001011000111110100110110001111010001110111100111110,HYDRNIBLYVDIDM-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)NCCNC2)CC3=CC=C(C=C3)Cl,3C93481D537323F4_B42A7CF530CBCAD0_6035_UN,8.552287,00000000000000000001000000000000000000000000000000000110000000000000000000000001101010110011000001001101110101010100001011000111110100110110001111010001110111100111110,QFVSAPSZFGNZMF-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)NCCNC2)CC3=CC=C(C=C3)F,4BE9D3EECCAD0603_EFCE5230B9F19D40_6035_UN,8.55227,00000000000000000001000000000000000000000010000000000110000000000000000000000001101010110011000001001100110101010100001011000111110100110110001111010001110111100111110,STAGUBLMOBCVBL-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)COC2=NC3=C(C=C2)CNC3,9B4EC6A126648D9F_C7F1BFEF04134023_6035_UN,8.552158,00000000000000000000000010000000000000000000000001000000100000010100001100000001101100100101101010101110010001110110010111101111111001010110101111101011110111111111110,MTLSPDCZTJXDQR-UHFFFAOYSA-N
+NOCC1=NC(=CC=C1)NCC2=C([S](N(C)C)(=O)=O)C=CC=C2F,2D9B6D9A54E850B9_CDF1347CCBE0BD50_6041_UN,8.552119,00000000000000000000000010000000110000100010000000010001001111001101010101100100111010111001011100101010101101011000010001101110001101111110001011101111010111111111110,YJSIPSJRJZAKEY-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCC2=CC3=C(C=C2)OCC3,41329922C43DFA71_B3910A7FB930E6BB_6041_UN,8.552108,00000000000000000100100000000010000000100000000000000000010000000100000000100100001100100000010010101100010001001100001011000100100011010110011011011101110111101111110,NZPREQJCPLXOHJ-UHFFFAOYSA-N
+O[C@H](CBr)C1=C(C=CC=C1)NCC2(OC)CCNCC2,A9B38180795942CB_62E7B0679A329887_6041_DP,8.552054,00000000000000000000000000000000000000000000001000000100000000000010000000000000001000100011010101101000100010011000101001000011110111110111001111010011110111111111110,NXEYPDJJHLAVCZ-CQSZACIVSA-N
+CN(C)[C@H]1C[C@@H](CC1)OCC2=CC3=C(C=C2)N=CC=C3,238DDD600B3FD773_C6A06203AA937156_6039_UN,8.551891,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010011100100010011010000101001100111110011000100001101011100110111101111110,JUTKADBQRCCBCD-HZPDHXFCSA-N
+N1CCC(C1)N4CC(OCC3=CN=C(C2=CC=C(C(C)C)C=C2)S3)C4,3CD681FD56691AC9_477C52C784F91626_6039_DP,8.551827,00000000100100000000000000000000000010000000000100000000000000100100000000110001111101101011000111001000100001010000001011100111110011000110001100011101110111101111110,ZZTHUMARVJOVRU-UHFFFAOYSA-N
+COC2=C(C=C1C(=NC=CC1=C2)NCC(C3=CC=C(OC)C=C3)N(C)C)F,1C0606CC1BC4889C_4BBEB55A898FA5B8_6041_UN,8.551218,00000000000000000000000000000000000000100010000000000000000000000100000000100101001001110000010000101100010100010100100001100111000001110100011111001111110111111111110,NOPMAEUSNDDMRN-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC=C(OCCOC)C=C2,858227F583FF1A1F_0A216B4230A7FF6F_6041_UN,8.550954,00000000000000000000000010000000000000100000000001000000100000010100001110000101000000100000111001100010000001100101111101101111001011010110101111111111110111111111110,SBCXXGBNYRGWCZ-UHFFFAOYSA-N
+C[N]1N=CC(=C1)O[C@H]2[C@@H](CNC2)OC3=C(C=CC=C3I)C(F)(F)F,EEC63780A76DC0CE_927C57873E4CEFD5_6035_UN,8.550742,00000000000000000000000000010000000000000010000000001000000000000100000010010000101100110001011111001000001100001100000011101111010010100110001110001011110011111111110,WBDHVBWTIIYNRE-CHWSQXEVSA-N
+COC1=C(C=CC(=C1)OCC2=CC=C(CN(C)C)C=C2)Cl,6AB48862DBDF28F7_B430728411D4FD4C_7022_UN,8.550404,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001110100010000001001000101000101000000100111000000100010010111001110110101111111110,YVPGVALTWLHOFV-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)OCC2=CC=C(CN(C)C)C=C2)F,1B634B16729D358B_F6DE530A9566F96A_7022_UN,8.550386,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110100010000001000000101000101000000100111000000100010010111001110110101111111110,SMXUXXHHQAECFU-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=C(C)C=C(C=N2)I,602050BF9BEAACD4_C0F9ADB87C9E5026_7022_UN,8.550361,00000000000000000000000010010000000000100000000001000000100000010100001100000100100000010001001100100010000101000110000101101111001001110100001111101111110111111111110,XGOUCDQQRAWSAK-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=CC(=C(C=C3)OC(F)(F)F)Br,40B23B54F6F603B8_D1A16CFD0713FDF8_6035_UN,8.55036,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001000101100011100001001000111010010100110000111010011110001111111110,FVBRIZOCWSIDRL-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=C(C)C=C(C=N2)Br,C3140B1F3A69083E_E129B7AC09260739_7022_UN,8.550358,00000000000000000000000010000000000000100000001001000000100000010100001100000100100000010001001100100010000101000110000101101111001001110100001111101111110111111111110,FYVKPHPXZYZSKG-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=C(C)C=C(C=N2)Cl,E55B1E95EB6C1D54_718048F93B65EA95_7022_UN,8.550336,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000010001001100100011000101000110000101101111001001110100001111101111110111111111110,KPCPLOXNOLWCGX-UHFFFAOYSA-N
+C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC(Br)(Br)[N](=O)=O,743F4E0E8B474056_8DAF1C4EED6D2A29_6034_UN,8.550309,00000000000000000000000010000000000000000000001001000000100000110100001100010001001101100001001011101110111100011000001111101100111000100110001001011001010110110111110,XAHSLJJHBYBULL-UHFFFAOYSA-N
+N2CCC(OC1=CC=C(C(=C1)OC)C#N)(C2)C(F)(F)F,432F98538B66FC2A_4A555A7394BC61F9_6003_DP,8.550227,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100100111010111001000101100011100001001000011010010100110001110010011110001111111110,JOLLIBXVXGOQQN-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CC=NC1=C(C=C2)NCC3=C(CSC)C=C(C=C3)F,74B617260785183A_0F4F9A34EB690163_6041_UN,8.549826,00000000000000000000000010000000000000000010000001000000100000010100001100000001101000111001011000101110010100000001000101101100011001110110001011001011010110111111110,MHZZVYONAJFBHR-UHFFFAOYSA-N
+O(C3CCOC2(CCN(CC1=CC=CC=C1)CC2)C3)CC4=NC(=C(S4)C(C)(C)C)C,187B3DE0D55E1DBB_3661D8DC63EDD89C_6039_UN,8.54979,00000000000000000000000000000000000010000000000100000000010000000110000000110000010101101100000111101000010011011000001011100111110010000110011111011110110111111111110,HECUPUZGTKAOLR-UHFFFAOYSA-N
+N4CC1=C(C=CC=C1)OC2(CCN(CC2)[S](C3=CC=CC(=C3F)C#N)(=O)=O)C4,E4714BC41D587AE9_000C92A8212EB94E_6029_DP,8.549778,00000000000000000001000000000000110000000110000000010001011111001011000001010000011000111011001101101110011100011100011011101100111010101110001011111011110011110111110,XZCPZZMRIOCGPK-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2CCNC2(C)C)C=CC=C3)CC#N,F62F466FAD5FF19A_C60C897D73C34CB0_6034_UN,8.548627,00000000000000000000000000000000000000000100000000000000000000000110000000110000101101000011000010001100110010011000101011100100110000000110011010011111010110101111010,NWIZUYPOHZNXSI-UHFFFAOYSA-N
+C[N]1N=CC2=C1C=CC(=C2)NC[C@@H]3C[C@@H](CN3CC4=NC=C[N]4C)F,ADB933E052FEAEFB_B984D98A78A142E4_6041_UN,8.54858,00000000000000000000000000000000000000100010000000001000000000000100000000010101101101110011011010001100010100010000100011101100110001110110001010001111010110101111010,ICIVUVJJPQWBJZ-HOCLYGCPSA-N
+NC1(CC(C1)(F)F)COC2=CC3=C(C=C2)NCCNC3,F20A50945F38FEF0_B34909FCA8D5ECFE_6035_UN,8.548496,00000000000100000001000000000000000000000010000000000110000000000010000000000001101010110011000100001100110101011100001011000011110101110110001110010001110111100111110,IVXGCFSWRXFLBW-UHFFFAOYSA-N
+C1(=CC=C(C=C1)[N](=O)=O)NC2=CC(=C(OCCN(C)C)C=C2)C,6B7FF305A591321F_DFC3506DEB57D8D7_7022_UN,8.548469,00000000000000000000000010000000000000000000000001000000100000010000001100100000000001100000011100001010000011010101101100101111001011010010011111111111110111111111110,PPOSIOWZARFCHL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NCC(C)(C)C3CCOCC3,7607F3883DC72BCF_A0201F1B26CF783F_6041_UN,8.548422,00000000000000000000000000000000000000000100000000000000010000000110000000100001001100100001000010101100010011001001101011000100110111010110001001010101010111101111110,WDFVQEBTJRUCGO-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCO2)NC[C@@H]3C[C@@H](CN3CC4=NC=C[N]4C)F,21072234FEF28877_ACD99FAFC9F7BCF2_6041_UN,8.548396,00000000000000000000000000000000000000100010000000000000010000000100000010010101001101110011010011101100010101010100101011100100110011110110001011011011110111111111110,KOHNHDFIBSOKLZ-ZFWWWQNUSA-N
+C1(=CN=C(C=C1)Cl)N(OC)C2CCCOC3=C2C=C(C(=C3)C)C,83DE1928C0E57C11_6DB5DDA8E15BE21D_7022_UN,8.548174,00000000000001000001000010000000000000000000000000000000010000000100000100000001000000010000011001100111010111010100001011101110000011110100011011011110110011111111110,FOWWKIKFYUFFDK-UHFFFAOYSA-N
+C1(=CN=C(C=C1)F)N(OC)C2CCCOC3=C2C=C(C(=C3)C)C,930949B892901F24_8C31C97A975BBFD5_7022_UN,8.54817,00000000000001000001000010000000000000000010000000000000010000000100000100000001000000010000011001100110010111010100001011101110000011110100011011011110110011111111110,SOIQUNMUVITZES-UHFFFAOYSA-N
+C1(=CN=C(C=C1)Br)N(OC)C2CCCOC3=C2C=C(C(=C3)C)C,8E6EB0E6FE9A0154_7C2D7E7AE96EE9E7_7022_UN,8.548168,00000000000001000001000010000000000000000000001000000000010000000100000100000001000000010000011001100110010111010100001011101110000011110100011011011110110011111111110,YKNFPWJAZPRDSO-UHFFFAOYSA-N
+COC2=C1C(=CN(C1=CC=C2)CCC3=CC=C(C=C3)[N](=O)=O)CCN,E4291A18EDD4DB34_0147F028643C8565_6034_UN,8.548074,00000000000000000000000010000000000000000000000001000000100000010100001100010000001111000000011011001110110000010100001101101111101001010110001101111001110111111111110,NXHQCEOPBRNVAB-UHFFFAOYSA-N
+COC2CNC(C)(COCC1=CC(=C(OCC)C=C1)F)C2,F44D15C9FC0725F1_489B7BE6C577A75C_6039_DP,8.547989,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110011010111001000100111011111100001000011110010100110010110100111110111111111110,IXCNKWIDDGILNR-UHFFFAOYSA-N
+O(C[C@@H]1CC[C@@H](N1)C(F)(F)F)C2=CN=CC(=C2)C(C)(C)C,C7E73D957ED25B00_9A0123F220E8EDE3_6035_UN,8.547979,00000000000000000000000000000000000000000010000000000000000000000110000000100000000100000010000110100000101101011100001011000011110000100100011100010101110111101111110,SWSOQBPFZOYMKD-WCQYABFASA-N
+C1(=CC2=C(C=C1)CC(=O)C2)NC3=CC=C(CSCC)C=C3,21E22667D78D1342_7440F75E5158233B_6041_UN,8.547953,00000000000000000000000000000000000000000000000000000000000000000000000000000000000000101001000010000100010000000010100000000101010011010010000111000001111110101111110,TWRSXTIIEAUSBP-UHFFFAOYSA-N
+O=[N](=O)C1=NC=C(C=C1)NC3=C2OCCCC2=CC(=C3)F,CE069FB3A9A37A9F_489C787DF662171D_6041_UN,8.547892,00000000000000000000000010000000000000100010000001000000110000010100001100000101000000010001001100100110010101000100001111101100101011110100001011111001110011110111110,ANNKBNWOUULANZ-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)[N](=O)=O)NCCCCCC2=CC=C(C=C2)F)F,D02AF47855326C46_74511C3BA8843C50_6041_UN,8.547886,00000000000000000000000010000000000000000010000001000000100000010000001100000001001000010011001001001010100100010000001100101100111001110000001011011011010110111111110,WGODSYMTDHVUML-UHFFFAOYSA-N
+NCC2=CC1=C(C=CC(=C1)Br)N2CC3(CNCC3)C(F)(F)F,E66E7A5E415B72A0_43C7EEB8B2ABAB88_6034_UN,8.547447,00000000000000000000000000000000000000000010001000000000000000000110000000010001101111110011000010001100111100011000001011100100110100100110001010011011010110100111010,NWSYVNNEGYAQBE-UHFFFAOYSA-N
+C2(=C1N=CC=CC1=CC=C2)NCCC3=CC(=C(C=C3)Cl)[N](=O)=O,3C65A2397A7AED2A_C74F391323290596_7022_UN,8.547324,00000000000000000000000010000000000000000000000001000000100000010100001100000001001000010000001000101111110100010000001101101100001001110100001011011011010110110111110,RLSGUGBMQKDSGQ-UHFFFAOYSA-N
+FC2=C1N(C3=C(C1=CC=C2)CCCNC3)CCNCC4=CC=C(C)C=C4,F8532DFE543E00A4_3B5262DB849B54C5_6034_UN,8.546931,00000000000000000001000000000000000000000010000000000000000000000100000000010001001101110011000010001100110100010000001011100100110100100110001011011001010110101111010,UFUALVSFUJDVQC-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NCCC2=C(C)C=CN=C2,4E4B63E60A43861F_FBE2BF1B37CF6629_6041_UN,8.546719,00000000000000000000000010000000000000000000000001000000100000010100001100000000001000100010001001101010100011010010101101101110101001010110001011111111010111111111110,RYJVXIIUQQSWHC-UHFFFAOYSA-N
+N1CCC2=C1C=C(C=C2)CC(=O)OCC4=CC3=C(N(C)CCC3)C=C4,2BC994E72EBD7D47_260DDBACFF724DE7_6031_DP,8.546611,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100011010010101100110011010001101011110110110010010110001011011001011111111111110,XZQOCLHHCNUUHP-UHFFFAOYSA-N
+N(CC1=C(C=CC(=C1)C#N)F)[S](C2=C(OC)C=CC3=C2C=CC=N3)(=O)=O,E6D4D1942F914180_97928A02D684CA05_6029_UN,8.546499,00000000000000000000000000000000110000000110000000010001001111001101010001000000011000011100011001101110011100001100010001001111001000101100001111101011110111111111110,YDJMZHOPWKNSCR-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)F)F)CCCC2=C(N(C)C)C=CC=C2,7456C7892BC6F186_AAA0EDAD2E75CAED_6031_UN,8.546357,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010000000000000111000000001000110110110011110000000011011110011111111111110,FTLQJCQCDXQZNI-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Br)F)CCCC2=C(N(C)C)C=CC=C2,EE58DDD1C8429F0E_E7BC29215B358891_6031_UN,8.546345,00000000000000000000000000000000000000000010001000000000000000000000000000100000000001110000010000000000000111000000001000110110110011110000000011011110011111111111110,KCRVWJCHVVJCCI-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Cl)F)CCCC2=C(N(C)C)C=CC=C2,ACF1B7354023C1DB_82F1312BF0144C91_6031_UN,8.546345,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010000000001000111000000001000110110110011110000000011011110011111111111110,BNBYDCGNMZVWGA-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Cl)Cl)CCCC2=C(N(C)C)C=CC=C2,8D4967ED35BCE354_221375F51CE21D19_6031_UN,8.546336,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001110000010000000001000111000000001000110110110011110000000011011110011111111111110,HMIMIAHXGXQMOK-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)I)Br)CCCC2=C(N(C)C)C=CC=C2,550B360675F8B714_F0832E625EC80530_6031_UN,8.546335,00000000000000000000000000010000000000000000001000000000000000000000000000100000000001110000010000000000000111000000001000110110110011110000000011011110011111111111110,UMIAYKRWZVJQCN-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)F)Cl)CCCC2=C(N(C)C)C=CC=C2,C487EB576863EE7D_E7FDE35545DC29AE_6031_UN,8.546329,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010000000001000111000000001000110110110011110000000011011110011111111111110,ZJBAYCRXZISRPB-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)F)Br)CCCC2=C(N(C)C)C=CC=C2,44C95D325A9A4E0A_EE4E5AF99A0B4E84_6031_UN,8.546329,00000000000000000000000000000000000000000010001000000000000000000000000000100000000001110000010000000000000111000000001000110110110011110000000011011110011111111111110,VKOUBRPYZQXNTM-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Br)Cl)CCCC2=C(N(C)C)C=CC=C2,6124743A5C6E7161_3394F88B26D5BD54_6031_UN,8.546326,00000000000000000000000000000000000000000000001000000000000000000000000000100000000001110000010000000001000111000000001000110110110011110000000011011110011111111111110,GRYADPQAFFJNBM-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Br)Br)CCCC2=C(N(C)C)C=CC=C2,A38FE4F6152F3BA1_753192976C674B6B_6031_UN,8.546326,00000000000000000000000000000000000000000000001000000000000000000000000000100000000001110000010000000000000111000000001000110110110011110000000011011110011111111111110,JTRQPONGUWKXCU-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)C2=N[N](C=N2)C)NC[C@]3(CCCN3)C,32732CCD6AFC2FF4_DCD9D9E4C36DA1D2_6041_DP,8.546098,00000000000000000000000000000000000000100000000000001010000000100110000000010101101100000011011010001000100010011001101011101100110101010110011010011111010110101111010,GWFFKSSMZDBUAP-MRXNPFEDSA-N
+N(C1=C2C(=CC=C1)COCC2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,57696BF0DF325F15_E04073C35C217D32_6028_UN,8.545833,00000000000000000000000000000000110000000100000000010001011111001001010001000000010000101011011000100110011001001100011000001111111011011110101111111011110011111111110,IGZAPINUAYRUEU-UHFFFAOYSA-N
+CN1C(=O)SC2=C1C=CC(=C2)[S](=O)(=O)NC3=CC(=C(C=C3)OC)C4=CC=C(OC)C=C4,D4388BBFCE5281B0_D15FD0BFC14508A3_6026_UN,8.545634,00000000000000000000000000000000110010000000000100010001001111101101010001010000010101001000011010000110011000101100010011101111001001011100111111101111101011111111110,PMUGUJJYDMCBHZ-UHFFFAOYSA-N
+ClC2=C1C(=CN(C1=CC=C2)CCCC3(C)CCCN3)CC#N,A46407802F7FFE25_FD25AA1055CAFACB_6034_UN,8.545471,00000000000000000000000000000000000000000100000000000000000000000110000000010000001101010011000010001101110110011001101011100100110000100110001000011001010110101111010,NEPDRBOABBGAEX-UHFFFAOYSA-N
+BrC2=C1C(=CN(C1=CC=C2)CCCC3(C)CCCN3)CC#N,47615E4FF02B6985_D4ADFE760B5C9E17_6034_UN,8.545431,00000000000000000000000000000000000000000100001000000000000000000110000000010000001101010011000010001100110110011001101011100100110000100110001000011001010110101111010,IKBYLYDVCPCPBD-UHFFFAOYSA-N
+FC2=C1C(=C[N](C1=CC=C2)CC3(CN)COCCN3)Br,7847D310B002C56E_989746EACF347D20_6034_DP,8.545104,00000000000000000000000000000000000000000010001000000010010000000110000000010001101111110011000111101100110101011000001011100100110110100110001001011001010111100111110,ZDJPYTBKBQXKDU-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1OC(=O)C3=C2N=CC=CC2=C(C=C3)[N](=O)=O)C4,EC7D6EBD24F91D54_3144D71F1F21D0C7_6038_DP,8.544925,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000100001001001101110110000010100001111111111111001011110101111111001111011110111110,OSVIZWCHDCIRSK-UHFFFAOYSA-N
+O(C[C@@H]1CNCC[C@@H]1C2=CC=CC=C2)C3=C(C=CC(=C3)SC)Br,81647E33A1350FC0_72CD40589E174875_6035_UN,8.544657,00000000000000000000000000000000000000000000001000000000000100101000000000000000011000111011010001101000100101010100001001000111110000100110000111010011110101101111110,RULMKIHOEZUQEL-DOTOQJQBSA-N
+N(CCCCC1=C[NH]C2=C1C=CC=C2)C(=O)C3=CC=C(S3)[N](=O)=O,907EB8D013DC4A2D_C4CD9A3D40DB5C07_6038_UN,8.54454,00000000000000000000000010000000000010000000000101000000100000010100001100000000011100001011101010001110110000110000011111101100011101011100001000111001011110110111110,QLUTYGRGMKUSHN-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NCCCC3CNC3,D62BE7EA1D51F876_3395B35290D4AD66_6026_DP,8.544283,00000000100100000000000000000000110000000000001000010001001111001001010001000000011000111011001000001110111100011000011001001100111100101110001001011001010110110111110,JHAVSDTVZGYEIX-UHFFFAOYSA-N
+FC1(CC1)C2=CC=C(C=C2)NC3=CC=C(COCC)C=C3,06B20B5B91ADC12F_2769BEEB3CA8610D_6041_UN,8.543878,00000000000000000000001000000000000000000010000000000000000000100010000000000000000000110000000000000000000101001010100000000110000001110010000001010001010111101111110,SZNLORBZGGKAPF-UHFFFAOYSA-N
+FC2=C1N=C(N(C1=CC=C2)CC3=CC=C(C=C3)OCC#N)C4CCNCC4,9E8F65DDD32B703B_4F67C802E7A20318_6034_UN,8.543495,00000000000000000000000000000000000000100110000000000000000000100100000000010101001101110001000110101100110101010100001011100111110000100110001111011011110111100111110,LHORSYUOEMMEQD-UHFFFAOYSA-N
+CC(C)(OC1=C(CC)C=C(C(=C1)Cl)Cl)CCN2CCCC2,46320BA98693C13B_B780AE182F47DC09_6035_UN,8.543378,00000000000000000000000000000000000000000000000000000000000000000010000000110000000101110000000011001001000100011111101001100011110010100110010110011110110101101111110,RNASCTRXSLGEEA-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)N=C(C#N)C=C2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,57472989E8B157DE_FD79FD335043989E_6029_UN,8.543371,00000000000000000000000000000000110000000100000000010001001111001101010001100001010001101000011100100110011000001100010001101111001001011100011111101111100011111111110,YXPBQEIYQRVLKE-UHFFFAOYSA-N
+FC2=C1C=CC(=NC1=C(C=C2)F)NC3=CC(=C(C=C3)N4CCCCCCC4)F,387B526273746FAD_496538732B4716EE_6041_UN,8.543226,00000000000000000000000000000000000000100010000000000000000000100100000000010100000001110000000000101100010100010000001011100100110001110110001011011011010010100111010,FFOBNMGHBDDZBB-UHFFFAOYSA-N
+C1(=CC(=CN=C1)F)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F,FC7892BA69EF530D_086D38FF8CCF1A5B_7022_UN,8.543112,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101110011010010101000000100010000100011100100110001110110001010001011010110101111010,LSEGSPZIBGWBMQ-JSGCOSHPSA-N
+COC(=O)C1=CC(=C(C(=C1)C)NCC2=C(CC)C=CC3=C2C=CC=C3)[N](=O)=O,015A7E26F35B9530_B4A8611C3332AEB6_6041_UN,8.542911,00000000000000000000000010000000000000000000000001000000100000010000001100000001001000000001011001001110010010000010000100111110011001011000111011101111011111111111110,JLVZDSVUSRSOCO-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCC=CCC,8A5A5DBB7D052253_DB889AAED6CE364C_6034_UN,8.542603,00000000000000000001000000000000000000000010000000000000000000000100000000010000101101110011000010011100110110010010001011100100110000100110001010011001010110101111010,WLCNUECNMJWMHN-UHFFFAOYSA-N
+O(CC12N(CCNC1)CCOC2)C3=C(C=C(CCOC)C=C3)Cl,6A36BC1A38C402E5_72A680FA1BEDC8E0_6035_UN,8.542402,00000000000000000000000000000000000000000000000000000000010000000010000000000001001001110111010101101101110101011101101011100011110010100110001111111011110111111111110,UNSOBVDMSIGSRS-UHFFFAOYSA-N
+O(C2C1=C(C(=CC=C1)Br)CC2(F)F)C3=CC(=CC(=C3)OC)N,A95D93883C606E90_8B08B305C6B8C05A_6035_UN,8.542402,00000000000000000000000000000000000000000010001000000000000000000000000000000000000010010100010011000100010100001100000000000111000001110000000111000011100011111111110,XLADHUCDEFFYJP-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNCC2)CC3=CC=C(COC)C=C3,16D1D05038D9F37F_620A62996C430D7C_6031_UN,8.542282,00000000000000000001000000000000000000000000000000000000000000000000000000000000001000100000010000001100110001010001001001010110110000000110000011110001011101111111110,TYNBRIGWVTXKGR-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OCC1=C(C)C=CC2=C1C=CC(=C2)C)CCOCC3,6212E398093A6795_ECE3FFD1BAD725C6_6039_UN,8.541931,00000000000000000100100000000010000000000000000000000000010000000010000000100000000000100100010000100100010001001000101000000111110010000110010111011110110101011011110,OXCTXSBGBVRCOA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC3=C(C2=CC=C(N(C)C)C=C2)C=CN=C3)[S](=O)(=O)F,B927FFF37CD9784D_8A1ECFA32B275285_6041_UN,8.541771,00000000000000000000000000000001000000000010000000010001001111101101000001100001010001101100010000100010001100001100000001101111001001111100011111101111100011111111110,CYBTVOGSAJHCHS-UHFFFAOYSA-N
+CC(N)(COC1=C(C=C(C=C1)CN2CCNCC2)Cl)C(F)F,5A33031B632BD1D9_6DD585E8D8C67DAE_6035_UN,8.5417595,00000000000000000000000000000000000000000010000000000000000000000010000000010001001011110001000100101001100101011101001011100011110100100110001111011011110111101111110,DSDYJIJPANLPQM-UHFFFAOYSA-N
+CN1C2(CC(C1)C2)CNC(=O)C4=C(C=C3N=C[NH]C3=C4)F,FDCA89B45D3476DF_CC6BABA013869026_6038_UN,8.541568,00000000000100000000000000000000000000000010000000000000000000000110000000010101001101110011110010001100010110111001110011100100110100100110001010001011011110101111110,IIHSEHLDSGCXPJ-UHFFFAOYSA-N
+N3CCCC(F)(CNC(=O)[C@@H]1CNC[C@H]1C2=CC=C(C=C2)F)C3,C53582452DB2E155_BA33CD033CB1C6CE_6038_DP,8.541501,00000000000000000000000000000000000000000010000000000100000000100010000000000000101100110011100011101000100100111000011011000000110100100110001001010011011110100111110,XDKSUIIMKYWXEC-BTPDTDQASA-N
+N4CCC1(CC1(COC3=C2C=CC=CC2=C(C=C3)Cl)C#N)CC4,0605D9602389DD65_DE5FC17B94039D70_6035_DP,8.541482,00000000000000000000001000000000000000000100000000000000000000000010000000000000001000110001000001101101110101011100001001000111110000100110001101010001110101100111110,GOMYLMLMUDTRIU-UHFFFAOYSA-N
+CCC(C#N)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)CNCC3,34BCF789A3107499_3FBD9602EC09E910_6041_DP,8.54142,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001000000101100110000010010001001000100110101010110001011010001010110101111010,DHYKZQVOKRKNMN-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)C#N)C)NCC2=CC(=NC=C2)SC,281AD19B56CC04C2_47F61DD155C53DF8_6041_UN,8.541287,00000000000000000000000000000000000000000100000100000000000100001100000000000000011000001000010000101000000010000000000001000100000001010100011011000111010110101111010,AYQUZKJXCQARDG-UHFFFAOYSA-N
+N4CC3(F)CC(CNC(=O)C1=C(C=CC=C1)C2CCNC2)(C3)C4,44B4515B51B4CC52_3B81152287A45EA8_6038_DP,8.541264,00000000000100000000000000000000000000000010000000000100000000100010000000000000101100110011100010101000110100111000011011000000110100100110001011010011011110100111110,OARDHDBRQDYGHX-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)CCOC2)[S](C3=CC=CC4=C3N=C(Cl)C=C4Cl)(=O)=O,19657007044A9AA0_07ECAA6A42D421DF_6029_UN,8.541261,00000000000000000000000000000000110000000000000000010001011111001101010001000000110000111001001001100111011101001000011011001100111011111110001011111001010011110111110,JNTZTNTYBCPQOW-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)F)[N]2C=CC=C2)C(C3=C(OC)C=CC(=C3)[S](=O)(=O)C)=O,F065888157F66BBD_56277E4EF96F12DC_6038_UN,8.5409155,00000000000000000000000000000000000000000010000000010001001111101101000001010000110101011100110011000010000100101100010001101111001001111100101111101111101011111111110,STVGMLIUBSVNBI-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)[N](C3=C2CNCC3)CCCN4CCNCC4,E436C11D660156C8_249C34C2395E4B00_6034_DP,8.540794,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100001000010101100110000010000001011100100110100000110001011011001010110101111010,UABMOEZKFFOTOY-UHFFFAOYSA-N
+N1CCCC(C1)C(C)(OC2=CC(=C(C=C2)Cl)CCl)CN,0047F215707AEE9B_61808B35790AA391_6035_DP,8.540769,00000000000000000000000000000000000000000000000000000000000000000010000000000000001010110011000101101001100110011101101001000011110110100110001111010011110101101111110,YADUSUMSDMDECQ-UHFFFAOYSA-N
+CC1=C(C3=C(N1CCCN2CCC(F)C2)C=CC=C3)C4=CCNCC4,1AD4CAACAF89D72F_D84C5464365D6D07_6034_UN,8.540705,00000000000000000000000000000000000000000010000000100000000000100100000000011000101101110001000010111100110110010000101011100100110000100110001011011011010110101111010,QAUWOGCQHMODHG-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C4C(COCC3=C2N=CC=CC2=C([N](=O)=O)C=C3)CCCN4C,8B2C7D42D9F20C56_3C6BBFFBBD62FB14_6039_UN,8.540459,00000000000000000000000010000000000000000000000001000000100000110100001100010000100001100000011001101110010011010101101111101111111001010110101101111110110111111111110,SYBHDDKVGUWFOO-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C)Cl,0AB62461478781DF_71756ABE38FF5F96_7022_UN,8.540306,00000000000000000000000000000000000000000000000000000000000000100000000000010000101101110011010010001001000111010101101001100111110001110110011111011111110111111111110,KTRWDGIRZYFGEL-IIBYNOLFSA-N
+C1(=CC2=C(C=C1)C=CC2)NC3=C(N(C)C)C=CC=C3[S](=O)(=O)N(C)C,F52F5368C0E1E65C_3630AD65AF1A9B51_6041_UN,8.539827,00000000000000000000000000000000110000000000000000010001001111001001000001100001110001101001011011010110011000001000010000101100001001011000011011001111000010111111110,BNXUURKUGIEMED-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CC#CC,02C603B461BC534B_21B23B67D1ECE8AE_6034_UN,8.53969,00000000000000000100000000000000000000000010000000000000000000100110000000010000101101000011000010001100111100011000101011100100010000100110001000011001010110101111010,GAWCEDCUKSOXKI-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=N[NH]C1=CC(=C2)NC3=C(CC)C=C(C=C3)SC#N,3C8A3FFB7333B813_7AFAA4D84B488E5B_6041_UN,8.539608,00000000000000000000000010000000000000000100000101001100100100011100011100000000110100001010001010000110010000000010000111101100001101010100001011001011000110111111110,NNAKCFVBKBNFLJ-UHFFFAOYSA-N
+O(C(=O)C1=C(C=C(C=C1)F)[N](=O)=O)CC2=CC3=C(C=C2)CNCC3,AFF969C56714001C_317E0070B81EC1CD_6031_DP,8.539529,00000000000000000000000010000000000000000010000001000000100000010000001100000000001000110001001001101110110101010000001101111110111001111110101011111011011111110111110,XIEHRNYKVWZWHS-UHFFFAOYSA-N
+O(C(=O)C1=C(C=C(C=C1)Br)[N](=O)=O)CC2=CC3=C(C=C2)CNCC3,1CE21B01829BEF64_D4E12C8F4FCE8B4F_6031_DP,8.539528,00000000000000000000000010000000000000000000001001000000100000010000001100000000001000110001001001101110110101010000001101111110111001111110101011111011011111110111110,KOLVVWQAIMMVMG-UHFFFAOYSA-N
+O(C(=O)C1=C(C=C(C=C1)Cl)[N](=O)=O)CC2=CC3=C(C=C2)CNCC3,660E3B2C828C2871_7B3CC0483ED9874F_6031_DP,8.5395155,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000110001001001101111110101010000001101111110111001111110101011111011011111110111110,DSFPRTHCHHCOTF-UHFFFAOYSA-N
+O(C(=O)C1=C(C=C(C=C1)I)[N](=O)=O)CC2=CC3=C(C=C2)CNCC3,0A8F5E2981F7EF80_7929F685ADCB2E5B_6031_DP,8.5395155,00000000000000000000000010010000000000000000000001000000100000010000001100000000001000110001001001101110110101010000001101111110111001111110101011111011011111110111110,JHHNOHGJQXXWJM-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC(=C(C)C=C2C3CNCC3)Cl,2009623BB1405058_37F3DEF3B214DA9C_6035_UN,8.539347,00000000000000000000000000000000000000000000000000000000000000100010000000100000001101110011010111101001100110011101001011100011110110100110011111011111110101101111110,YSEFTNLILLFIED-UHFFFAOYSA-N
+COCC(OCCN1C2=C(CCC1)C=CC=C2)CN3CCSC(C)(C)C3,2263B657878B593D_D62B625F3A3B5390_6039_UN,8.539301,00000000000000000000000000000000000010000000000000000000000000000010000010110000010001101000010101101100010011011001101011100010110010010110011011011100110111111111110,QTTWBUHSSOOXJJ-UHFFFAOYSA-N
+N3CCC1=C(C=C(C(N1CC(NC)C2=CC=C(C=C2)Cl)=O)C#N)C3,0EC7EDDE0E510D4F_BB4B171E1FA254CD_6034_DP,8.538508,00000000000000000000000000000000000000000100000000000000000000000100000000010001101001110001110001101101110100110100111011100101110100100110001111011011011110101111110,NBVZJZMTHAMDTI-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)OC=C2NCC3(COC)CCCN3,4C2452201AADE487_BC4E6849923FC0BC_6041_DP,8.538406,00000000000000000000000000000000000000000010000000000010010000000010000000000001001100110011010111001100110111011001001011000110110101110110001000010001110111111111110,ZOUWGJLRHIFCBA-UHFFFAOYSA-N
+COCCNCC1=CC=C(S1)C2=CC(=C(C=C2)C#N)C3CC3,6B4938E5D14EEAC0_CD20185D6E0837AE_6004_UN,8.53837,00000000000000000000001000000000000010000100000000000000000000100000000000000000011100101000010110001000100001010001101000000110010010000110001010010011010101101111110,FCDPBQSAULNNKR-UHFFFAOYSA-N
+COC1=C(C(=C(C=C1)F)[S](=O)(=O)NC2=CC(=C(C=C2)C)SC)OC,99876077FE595982_DCCA9CCB22B72F92_6026_UN,8.53821,00000000000000000000000000000000110000000010000000010001001111001001010011000000010000011100011001000010001100001100010000001111001001111000110111101111100011111111110,RFCWWANDQVXCHE-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=C4C(=C(CN)C=C3)C=CC=C4,CF9353D851526739_408C00929E541113_6035_UN,8.538135,00000000100100000000000000000000000000000010000000000000010000000010000000000000001110110011000011001100010101001100000011000111110100100110001101000001110101110111110,IXYOBKAFMNOLER-UHFFFAOYSA-N
+C1(=CSC2=C1C=C(C=C2)C#N)NCC3(OC)CCNCC3,50D8DF551A786BFC_9D8F0DC2205CCD29_6041_DP,8.537991,00000000000000000000000000000000000010000100000000000000000000000010000000000000011100101011010111101100110010011000101011000111110111010110001101010001110111101111110,JYVCZJXZOLGULA-UHFFFAOYSA-N
+N3C[C@@H](OC2=C1C=CC=C(C1=NC=C2Cl)Br)[C@H](CC#N)C3,A90BC0B123511106_C260213EF39B49B6_6035_DP,8.537864,00000000000000000000000000000000000000000100001000000000000000000100000000000000001100110011000111101101010100010100000011000111110010100110001111000011110111100111110,FPXUQGLXQYPXDF-NOZJJQNGSA-N
+N4CCC1=C(C=CC(=C1)NCC3=CC2=C(C(N(C)C2=O)=O)C=C3)C4,4DDABA1955BE16DE_C66AB84A422B9565_6041_DP,8.537657,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100101110010101100110000110000011011100101110101011110001111011011011110111111110,FGSFBBTUFBWEGT-UHFFFAOYSA-N
+CC(C)C1=CC2=C(C=C1)OCC[C@H]2OCCC3CCNC3,5B20AD4CD8DAC55F_B441EF358B9252C7_6039_DP,8.537644,00000000000000000000000000000000000000000000000000000000010000000000000000100000001100100111000010101100110001010100001011000011110010000110000111010101110101111111110,HJHVMNYBIKGYHZ-XPKAQORNSA-N
+C[Si](C)(C)C#CC1=C(C=CC=C1)OCC3OCC2(CCNCC2)C3,597FE65A75652D14_BE081EC5C506692E_6039_DP,8.537475,00000000000000000100100000000010000000000000000000000000010000000010000010100000001100100001010010101000110001011100001011000011110010000110010111011111110101111111110,CYGBTKDGVGHRKL-UHFFFAOYSA-N
+CC2=C1C(=C(C=CC1=CC=N2)F)NCC3=NO[C@@H]4CCCC[C@H]34,575007DCC628A6BB_8AFEF0288D3A032E_6041_UN,8.536711,00000000000000000000000010000000000000000010000000000000010000000100000100000011101100010001001011101110010100010000001111001100110011110100001011010011110111101111110,VQTMJKHNBPHPPE-CZUORRHYSA-N
+O(C1(CCNCC1)C2=CC(=CC=C2)Br)C3=C(C=C(CN)C=C3F)F,326DCF0E5ABA87B9_308750B844CC13D9_6035_UN,8.536456,00000000000000000000000000000000000000000010001000000000000000100010000000000000001010110001000001101000100100011100001001000111110110100110001111010011110101100111110,QZVKYCSXYZYNBO-UHFFFAOYSA-N
+CCC(COC2=C1N=CC=CC1=C(C=C2)CN3CCOCC3)OC,10FEF136BB2CD0AF_EE3CBE6AAD53508B_6035_UN,8.536381,00000000000000000000000000000000000000000000000000000000010000000100000010010000000001100000010100101100010001010110101011100111110010000110001101111100110111111111110,SHKQQMRXORJYFB-UHFFFAOYSA-N
+C[C@H]1[C@H](CNCC1)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)F,357E825C37F1F326_C6FD59751DF7105E_6035_UN,8.536343,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000110101000100101100111100011101101011000111110010100110100111110011111001111111110,SUIKFCJAAVGKQA-XIKOKIGWSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NCC2=CC3=C(C=C2)OCCC3,A0CE62B4ABDB4199_7E4240F0F4E278CA_6026_UN,8.536269,00000000000000000000000000000000110000000100000000010001011111001001010011000000011100001000001110101110011001001100011010001100101010001110101011111001110111110111110,GPPNVVRAFXQDLP-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC5=NC3=C(CC4(CC3)OCCO4)S5,AF46F165AEC8D452_ADDBBA87B5DF83F2_7022_UN,8.536144,00000000000000000000000000000000000010000000000100000000010000000100000010000100010100011001000010000101011101011000001011010100110011110110001011010011110011110111110,OTQMGLZUSKSJKM-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2CCN)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,2AE925A534FE8423_16167613D35A03CF_6034_UN,8.535932,00000000000000000000000010000000000000000000000001000000100000010100001100110001001111100000011011001110110000010100001101101111101001010110011111111111110111111111110,WPERDJZQHBIGGB-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C3C(COC2=C(C=C(C(=C2)F)F)C#N)CCCN3C,1C5A8ACCEBE23F39_8ACB35ED3A71CC15_6003_UN,8.535881,00000000000000000000000000000000000000000110000000000000000000100000000000010000000001110000010001101000000111010101101001100111110000100110001111011110110111111111110,VCSOZAFSRVZKTF-UHFFFAOYSA-N
+N2CC(OC1=C(C=C(C=C1)Br)C#N)(C2)C3=CC(=C(C=C3)F)F,02B3659B3B1B465A_6F95EB941028006C_6035_DP,8.535577,00000000100100000000000000000000000000000110001000000000000000100010000000000000001000110010000101001000000100001100000001000111000010100110001111000011110001100111110,LNSVHNXJTLYALH-UHFFFAOYSA-N
+NCC(COCCC1(CCNCC1)C#N)C2=CC=C(C=C2)F,CBC402B449B0F209_5F8851AA7D047792_6039_DP,8.53553,00000000000000000000000000000000000000000110000000000000000000000010000000000000001010110011000001101000100101011000001001000010110110100110001001010001010101100111110,NRVACXTYQUIGIW-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)NCCC4=O,61B00AD5CF5A5A55_FBFBE4053E580BA0_6035_UN,8.535164,00000000000000000000000000000000000000000000000000000000000000000010000000000000001100110011000111101101110100011100001011000111110110110110001111010001111111110111110,IYLVWLVBNUPRNT-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)NCCC4=O,48633BB785F30509_B98CFB1C3EE6752E_6035_UN,8.535157,00000000000000000000000000000000000000000000001000000000000000000010000000000000001100110011000111101100110100011100001011000111110110110110001111010001111111110111110,GMAWLHHGUAVAKT-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)F)C3=CC4=C(C=C3)NCCC4=O,5B98B0C8A12B4FA8_53361D18AD1D28A2_6035_UN,8.535153,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110011000111101100110100011100001011000111110110110110001111010001111111110111110,WKPVXZKZDUSPIB-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)[NH]C=C2CC#N)C(CCC3N(C)CCC3)=O,76EE07BC0CFB9D96_B9BF264D2C250DF5_6038_UN,8.534665,00000000000000000000000000000000000000000100000000000000000000000100000000010000000101100011110010001100110010110001111011100100110111010100001000011011011110101111110,NEEUBKTWTUXCFS-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3=CC=CC4=C3CCNC4,2D23A9DB62ECF746_0191DDB9B8C76D6A_6041_DP,8.534197,00000000100100000000000000000000000000000000000000000000010000100010000010000000001000100001010000101100110001011000101011000111110111010110001111010001110111111111110,IABCBOYRFPDMKS-UHFFFAOYSA-N
+NCCN2CC[C@@H](OC1=CC(=CC(=C1)C(F)(F)F)N)C2,C0BB831043D30C3B_FDA11E948876AE18_6035_UN,8.533933,00000000000000000000000000000000000000000010000000000000000000000000000000010001001111100001000111001000101100011100001001100011110111110110001100011001110111100111110,GIILGPNGBQJLJO-LLVKDONJSA-N
+O([C@H](CC#N)C1=CC=CC=C1)C2=CC=C(C=C2)C3NCCC3,235892F102D162C9_0F2AAD50E726C038_6035_UN,8.533792,00000000000000000000000000000000000000000100000000000000000000100000000000000000001100000011000011001000100000010100001001000111010010000100001101010001110111100111110,ZBZNBVRITDOJJX-MUMRKEEXSA-N
+COC(OC)C1=CC=C(C#N)C(=O)N1CC2COCCNC2,3C9DF36F4A662B7D_903760C5CB6F592A_6034_DP,8.533769,00000000000000000001000000000000000000000100000000000000010000000100000000010000101001100011110101101000100001110100011011110011110010000110101110111111011111111111110,FRZYRRQEPROQBD-UHFFFAOYSA-N
+C(C1COCCN1)C2=C[N](C3=C2C=CC=C3)C[C@H]4C[C@@H](C)NCC4,D71C00832E9777D9_BEE81EF6E8F67F93_6034_DP,8.533588,00000000000000000000000000000000000000000000000000000000010000000100000000010000001101100001000110101100110011010001101011100100110110000110001001011001010111101111110,MMJCWEJTCFFMRZ-JNIOUFIGSA-N
+C1(=CC(=CC=C1)COC2CCOC2)NC3=C(C=C(C=C3)CC#N)Cl,FD867D194ED80C86_D15984E9B57A6AC1_7022_UN,8.532683,00000000000000000000000000000000000000000100000000000000010000000000000010000000000100110101000010000001000101010000001000000111110011110110001111010011110111110111110,HJXPNTUAPUHAHW-UHFFFAOYSA-N
+N3CCC(OCC1=CSC(=N1)C2=CC=C(C(C)C)C=C2)C34CCCC4,E9F1ABE024B097E2_0F008A1DF931B03C_6039_DP,8.532641,00000000000000000000000000000000000010000000000100000000000000100110000000100000011100001011000111001000110001011000001011000111110010000110001100010101110111101111110,OIPWZRGQJZJOLA-UHFFFAOYSA-N
+O=[N](=O)C1=CC2=C(C=C1)C=C(C=N2)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,CE66899E762E2EED_1F05C08F85BF074F_6041_UN,8.532463,00000000000100000000000010000000000000000000000001000000100000010110001100100001100001100001011000100110110000011000100101101100101001010100001001001101000010111111110,HPKXNBDUQOUHNJ-UHFFFAOYSA-N
+NC1=C(C=C(C=C1)[S](=O)(=O)N3CCC2=C(C=C(CCl)C=C2)C3)F,5E83A8E443E368C5_2B7432D79031FF36_7017_UN,8.532443,00000000000000000000000000000000110000000010000000010001001111001001000001010000010010111000001000101111011100011000011001101100111001111110001011011011010110110111110,NVCMAPGYNVREPC-UHFFFAOYSA-N
+NC1=C(C=C(C=C1)[S](=O)(=O)N3CCC2=C(C=C(CBr)C=C2)C3)Br,29C1DCD78B4AE599_FB4539D16C1674FD_7017_UN,8.532429,00000000000000000000000000000000110000000000001000010001001111001001000001010000010010111000001000101110011100011000011001101100111001111110001011011011010110110111110,VDBMTWPZIINVBP-UHFFFAOYSA-N
+NC1=C(C=C(C=C1)[S](=O)(=O)N3CCC2=C(C=C(CCl)C=C2)C3)Br,8E68D56E8F837C4B_494078123FD75716_7017_UN,8.532354,00000000000000000000000000000000110000000000001000010001001111001001000001010000010010111000001000101111011100011000011001101100111001111110001011011011010110110111110,PDRGVYOXEBSDAR-UHFFFAOYSA-N
+NC1=C(C=C(C=C1)[S](=O)(=O)N3CCC2=C(C=C(CBr)C=C2)C3)F,E47056FA44FAD9A1_99717314C3F0DCDD_7017_UN,8.532326,00000000000000000000000000000000110000000010001000010001001111001001000001010000010010111000001000101110011100011000011001101100111001111110001011011011010110110111110,LHROGYVZNWPTOP-UHFFFAOYSA-N
+CN(C)CC(C#N)C(OCCCC1CCNCC1)C2=CC=CC=C2,21BBAE0EFCE7F465_D19A5AD7773FCD36_6039_DP,8.532256,00000000000000000000000000000000000000000100000000000000000000000000000000100000101001100001010001101000100001010001001001100010110010000110001001011101110101101111110,BALIKAAZLPIQHJ-UHFFFAOYSA-N
+CC1=C(C=CC=C1NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C)C#N,9B1A84C009500FED_05EB0F395C5CB799_6041_UN,8.532099,00000000000000000000000000000000000000000100000000000000000000100000000000010000101101100011010010001000000010010101101001100111110001010110011111011111110111101111110,OSFCVDORTALAKC-WIYYLYMNSA-N
+COC1=CC3=C(C=C1)C=C(CN[S](C2=CC(=C(N(C)C)N=C2)CO)(=O)=O)C=C3,BEF032EB9AA90AFE_0915D32918D9731A_6029_UN,8.531327,00000000000000000000000000000000110000100000000000010001001111001101010001100100111001101000011001101110011011001100010001101111001101011111111111101111110111111111110,IZZFIKUWLQWDPR-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)CCCOC2=C(C=CC=C2[N](=O)=O)C#N)C,79EFF24028FFA003_FFB84DA0B4291A65_6003_UN,8.531302,00000000000000000000000010000000000000000100000001000000100000010000001100000000000000000100011101000010000011000100101100101111001011010000101111111110110111111111110,SGQPHHDUTJFVQP-UHFFFAOYSA-N
+C1=CN(C(=N1)C2=CC3=C(C=C2)OC=C3)CC4(CNC4)C#N,59AF952740F2875D_4073E19C78DBA838_6034_UN,8.531283,00000000100100000000000000000000000000100100000000000000010000100110000000010101101101100010000010001100010000001000000011100100100000000110001010001011110110100111110,YYNNPKLCVUOXRH-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=C(C=C(CCOC)C=C2)Cl,A866FC0A5C5D723D_EEA91D4EACE61161_6035_UN,8.531134,00000000000000000000000000000000000000000000000000000000000000000010000000100000101101110011010111001001100111011101101001100011110010100110011110011111110101111111110,PQMXLWSUYQZEMX-UHFFFAOYSA-N
+COC(OC)C1=CC=C(C#N)C(=O)N1CC2CNCCNC2,0C3E276621D5466A_22B75F20D9DC2741_6034_DP,8.530907,00000000000000000001000000000000000000000100000000000110000000000100000000010001101001100011110101101000100000110100011011110011110100000110001110111111011111111111110,FIDWSPMYUSSONE-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NCC2=NC=C(CC)C=C2)[N](=O)=O)C#N,248782451927C355_0AC9CD1FBD42E816_6041_UN,8.530845,00000000000000000000000010000000000000000100000001000000100000010100001100000001101000000000001000101010000000010010000101101100001001010100001011001111010110111111110,UWRMGLWRRQRSOP-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)CCNC2)CCNC3=C(C=CC=C3)Br,5C86C97272FB7A61_43FACA9DE53E2493_6031_UN,8.530555,00000000000000000000000000000000000000000000001000000000000000000000000000000000001000110001000100101100110101010000001001010110110111110110001011010011011111110111110,UEUFPXDNAUYZBH-UHFFFAOYSA-N
+C2(=C1C=CN=C(C1=CC=C2)C#N)NC3=C(OC)C=CC(=C3)[N](=O)=O,D72331D5F490A33A_DE927ACF9C41BA86_6041_UN,8.53055,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000000011100100110010000000100000101101111001001010100001111101011100011111111110,FWJZOPZTXASFNR-UHFFFAOYSA-N
+C1(=NC4=C(C(=C1)C2=CC=CC=C2)C=C3OCCOC3=C4)NCC5(CNC5)COCC[Si](C)(C)C,48D71682683E7DC5_F0F2439971EF8C2D_6041_DP,8.530185,00000000100100000000100000000010000000100000000000000100010000100110000010100100101000100010010001101100010001001101101011000110110111010110011011111101110111111111110,FIYNMYOELLHRQX-UHFFFAOYSA-N
+O(CC2CCC1COCCC1C2)CC4=CN=C(C3=CC=C(C(C)C)C=C3)S4,AE15B303D79DC6F1_962401A571716583_6039_UN,8.530129,00000000000000000000000000000000000010000000000100000000010000100100000000100000010100101000000011100100010001000000001011000110110010000110000001010100010111011111110,SAKRWCMXNDIFNY-UHFFFAOYSA-N
+COCCOCC1=CC(=CC=C1)OCC2(CCNC2)C(F)(F)F,29E7996CAD6EB213_610B45296A7ECA34_7022_DP,8.52992,00000000000000000000000000000000000000000010000000000000000000000010000010000000001100100011010011001000101101011101101001000011110010100110000100110001110101111111110,YQWDJBNBSKIOKU-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C(=CC=C1)NCC[C@@H]2CNC[C@H]2C)F,B58579BD812F8021_B9E7F1583C29D8A8_6041_DP,8.529879,00000000000000000000000000000000000000000110000000000000000000000010000000100000001100110011000010001000100110011001101001000000110101110110011010010111010110101111010,BQSQJXZGDACPDI-CHWSQXEVSA-N
+N1CCC(CC1)C3=NC2=C(C=CC(=C2)N)[N]3CC4=CC(=C(SC)C(=C4)F)F,D8A3581BD8C3675A_F5210A767C48A4BE_6034_DP,8.529863,00000000000000000000000000000000000000100010000000000000000100101100000000010101111111111001010010101100110100010000001011100100110101110110001011011011010110101111010,ZKZLOQZONKQKLW-UHFFFAOYSA-N
+N4CCC(OCC3=C1C=CC=CC1=C2C=CC=CC2=N3)C45CCC5,C48757E236E0F73D_85664C012F611E53_6039_DP,8.529308,00000000000100000000000000000000000000000000000000000000000000000110000000000000001100000011000111101100110001011000001011000111110010000110001101010001110111100111110,DBHJLYZJUWGGFX-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC3=C2N=CC=CC2=C(C=C3)Cl,463BF624ADA87774_9FC185B7E37D4BDF_6035_UN,8.529185,00000000000000000000000000000000000000000000000000000000000000000110000000100000101001110011010100101101110110011101001011100111110010100110001101011101110111101111110,JZBTZMIGZFSHDN-UHFFFAOYSA-N
+C1CC(CCN1)C2=CC3=C(C=C2)N(C=C3)CC(CN)CC4=CC(=CC(=C4)F)Br,C37E05F1032A7D2D_1CEBB4A300696FEE_6034_UN,8.528997,00000000000000000000000000000000000000000010001000000000000000100100000000010000101111110011000010101100110100010000001011100100110100100110001001011001010110100111010,NDIDJUXNFROFMC-UHFFFAOYSA-N
+CC(N)C2=CC1=C(C=CC(=C1)Br)N2CCOCCN3CCNCC3,441554AB7C5AD4D4_08B6DB5A768BBA96_6034_UN,8.528748,00000000000000000000000000000000000000000000001000000000000000000100000000010001001111110001000110101100110111010000001011100110110110100110001011011011010111101111110,LYIPRHYJDMZLMH-UHFFFAOYSA-N
+CN(C)CC[C@H](OC1=CC2=C(C=C1)C=CN=C2Cl)C3=CC=CS3,5B5BE77BCFBC0EEA_FC72455ABD84DEB1_6035_UN,8.528703,00000000000000000000000000000000000010000000000000000000000000000100000000100000010101111000010011101101010100010101101011100111000010100100001101011100110111101111110,GHKPATPCCDEDQU-INIZCTEOSA-N
+CC(C)OCCN2CCC(OCC1=C(C(C)(C)F)C=CC=C1)CC2,AA833FC806B1BB8E_7A802A4781B8F95A_6039_UN,8.528699,00000000000000000000000000000000000000000010000000000000000000000010000000110000000001100000000101101000000111011000101001100011110010100110010111011110110101111111110,GDBRMNQEAXUZAT-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2)C)CC,127DC487185D96A3_F9C5EA6DD55DDE43_6041_UN,8.528429,00000000000000000000000010000000000000100000000001000000100000010100001100000100100000000001011100100010000000000110100101101111001001010100011111101111100111111111110,HCUZHVIHFBMKPA-UHFFFAOYSA-N
+CSC1=C(C(=CC=C1)N[S](C2=CC(=C(C=C2)CBr)F)(=O)=O)C,35D060A357779FCB_33CFE5531553F93F_6029_UN,8.528247,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011000011000000010001100001000010000001100001001111000000011001111010110111111110,QAQGQKNHHMNTQP-UHFFFAOYSA-N
+ClC1=C(C=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]5[C@@H]4CNC[C@@H]4C5,634E70A638972A3E_847CFE21BC809EC3_6034_UN,8.527906,00000000000100000001000000000000000000100000000000000000000000100100000000010101001101110011000010001001110100010000001011100100110100100110001010011011010110100111010,PBBFJQNBTXQWNH-APYAYEPDSA-N
+COCCOCC1=CC(=CC=C1)[S](=O)(=O)NC2=CC=C(N(C)C)C=C2,F423713B33F79468_3E7B8C946CF1E6D4_6026_UN,8.527713,00000000000000000000000000000000110000000000000000010001001111001001010011100000010001101000011000000010001001001001111000101110011011011010111001111101010111111111110,BRVZZVGSIIWSAK-UHFFFAOYSA-N
+O(CC1(F)CNCC12CCC2)C3=CC(=CC(=C3C)C)N,6C2DFB4B22278418_6A897A47DA3081F4_6035_UN,8.527629,00000000000100000000000000000000000000000010000000000000000000000010000000000000001110110011000011001000010111001100001001000011110101110110001110010111110111101111110,ZCHFQLDISGWSEI-UHFFFAOYSA-N
+N(CCCCC#N)C(=O)C3COC1=C(C2=C(C=C1)C=CC=C2)C3,0FF24BEFE5D80EE8_D80F923EDA62E647_6038_UN,8.527486,00000000000000000000000000000000000000000100000000000000010000000000000000000000001000000111100001101100110001110100011000000100110000000110001011010001111111110111110,MRORGQKDVJFWTI-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)NCCNC2)(CC3=CC=CC=C3)C#C,E5F56552C7EEB581_86C39C7C8F4B6ACD_6035_UN,8.526533,00000000000000000101000000000000000000000000000000000110000000000010000000000001101000100011000000001100110000011101001011000111110110010110001111010001110111101111110,WXPGCXAMRQIUCA-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)N4CC3=C(C=C(OC)C=C3)CC45CC5,17018AA4C4C85911_4259539AC6780722_6026_UN,8.526344,00000000000000000000001000000000110000000000001000010001001111001011000001010000010000011000011000101110011100011100010001101111111000101100100111111000110011111111110,JXAFMYVWHMAVBX-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)OC2CNCCC2(OC)OC)Cl,DCAD21928F8BD700_2AD5EF6F0554E1B1_7022_DP,8.526203,00000000000000000000000000000000000000000000000000000000000000000000000010000000001000110001010101101001100111011101101001010011110010100110110111110111110101111111110,ILEXBKCVXHUXCU-UHFFFAOYSA-N
+FC1=C(C(=CN=C1)F)NC3=C(C=C(CN2CCN(C)CC2)C=C3)F,BE0FAED9CE13A9CC_38F28FE4E0D6DE56_6041_UN,8.526112,00000000000000000000000000000000000000000010000000000000000000000100000000010001100001110000010000101000000100010001101011100100110001110110001011011011010110101111010,TWESGNFFESQCTH-UHFFFAOYSA-N
+N1C[C@@H](C[C@H]1C(=O)OCC3CCN(C2=C(C=C(N)C=C2)Br)C3)OC(F)(F)F,6DD21C8D468A8FC1_89D9639818153EF6_6031_DP,8.526105,00000000000000000000000000000000000000000010001000000000000000100000000000010000001111110011000111001000101101011000001011110011110111110110001110111011111111110111110,AJXPTYJWJGVCMV-VOHIISRTSA-N
+C(CCC1(CCOCC1)C#N)=CC2=CC=CC3=C2CCNC3,95BFA43D2ED626D0_62679B9068478B45_7019_DP,8.525929,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100001000000111100110001011000001011000000110010000110001011010001010101100111110,IWVSKUKJHBHXPE-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C#N)NC2=C(N(C)C)C=CC=C2,65BA8D918347511C_46CDDBC80BC8DD1D_6041_UN,8.525846,00000000000000000000000000001000000000000100000000000000000000000000000000100001000001100001010100000000000001000101000000110111000001010000011111001111110111111111110,QQWHCBFCHBBDSU-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Cl)N[S](C2=CC=CC(=C2CBr)F)(=O)=O)C,1FE084ED1C5EDADA_406A1F19E9824C80_6029_UN,8.525689,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011001011000000011001100001100010000001111001001111000000111101111110111111111110,FTWKVDBUNOGXJV-UHFFFAOYSA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2=C(ON=C2)C3CC3,FCBDEB5B1D495CCE_E2A815F7EFA47FB6_6041_UN,8.525468,00000000000000000000001010000000000000000010000001000000110000110100001100000001100100010011001111000010000100000010000111101100001001110100001010111011100110111111110,OKMZGZPQMYMBOI-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCC2CCC=CCC2,F652A0459CB5E47E_CDF8D68A569B47BE_6041_UN,8.525227,00000000000000000101100000000010000000100000000000000000000000000100000000100100001000100011010000111000000000001000001001000000110001010100011000011101010110101111010,FDTPRGOSPUIIAR-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NCC3(C2=CC=C(OC)C=C2)CC3,68A072526FCE2007_BCDC553A3C531AE5_6026_UN,8.525172,00000000000000000000001000000000110000000100000000010001011111101011010011000000011100001011011110001010001000001100010000001111011000001100101100111001110111111111110,AZKFPYRURSRSGI-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCC2N(C)CC3(CC2)CC3,CC3137D14ADE511D_BA66E6AF437F78B4_6041_UN,8.525055,00000000000000000100101000000010000000100000000000000000000000000110000000110101001001100011010000101000010010011001101011100000110001010110011001011111010110101111010,DSEWHRWGEWMHBS-UHFFFAOYSA-N
+N([C@H]1C3=C(OC2(C1)CCC2)C=CC(=C3)F)C(=O)C4=C(C=NC=C4)F,A5BA28A1515F106C_022E9E5FE337E425_6038_UN,8.524754,00000000000100000000000000000000000000000010000000000000010000000110000000000000000000010001100001100100110100111100011011000100110011100100001011010011101011110111110,IBSDAOPKXULYHY-OAHLLOKOSA-N
+CC1=C(N=C(N1CC2CCN(C2)C3=C(C=CC=C3)Cl)C4CCCN4)C5=CC=CC=C5,B02DCB2ED21E5350_78A7318E41267108_6034_UN,8.5245695,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101110011000010001001100100010000101011100100110001110110001011011011010110101111010,JIORZIJSANKBTC-UHFFFAOYSA-N
+O(C(=CC#N)C(F)(F)F)C1=C(C(=CC=C1)C2CNCCC2)F,4C81CB60E69B6DFB_8B6046399E281391_6035_UN,8.524555,00000000000000000000000000000000000000000110000000000000000000100000000000001000001000110011000001111000101100011100001001000011110000100110001111010011110001100111110,IRMDIIBLGRZRHE-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2CCN(C2)C3=C(C=CC=C3)F)C4CCCN4)C5=CC=CC=C5,277230F19D976041_28B219075E13BFD3_6034_UN,8.5245495,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011000010001000100100010000101011100100110001110110001011011011010110101111010,HRRIUATVQSOMQB-UHFFFAOYSA-N
+N(C1=C(C=CC(=C1)F)[N]2C=CC=C2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,6B7AED5C972C1C48_24218D75A7720BA9_6029_UN,8.524525,00000000000000000000000000000000110000000010000000010001001111101101010001110001010101111000011110000010001100001100010001101111001001111100011111101111100011111111110,FQQFIHOHDXPVOE-UHFFFAOYSA-N
+CC2COC1=C(C=CC=C1)C2OCC3=CC(=NO3)C4CNC4,D248CF45B77B5BF1_432C9D8D87E4C5DF_6039_DP,8.523919,00000000100100000000000000000000000000000000000000000000010000100100000110000000101100100110001011101110010011000101000011001111100010000110001111100011110111111111110,VEBUDNJFPSJFSE-UHFFFAOYSA-N
+CC(C)(CN)OCCOC1=C(C=CC(=C1)C2CNCCC2)F,7280F0832012A238_A2486F38DD263B2A_6035_UN,8.5238085,00000000000000000000000000000000000000000010000000000000000000100010000010100000001010110011000100101000100111011101101001000011110110100110001111010111110101111111110,JCUSPZYWONHZPO-UHFFFAOYSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NCCCC2=C(C=C(C=C2)Cl)Cl,A285D1BDD4FD2A5D_66122BF859EE2C49_7022_UN,8.52365,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000010010001100101011100100010000001101101100001001110100001011011011010110110111110,DGJKEJKVKNETPL-UHFFFAOYSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NCCCC2=C(C=C(C=C2)Br)F,96EBCF74EA049A29_83EBD839978A2525_7022_UN,8.523647,00000000000000000000000010000000000000100010001001000000100000010100001100000101001000010010001100101010100100010000001101101100001001110100001011011011010110110111110,XEYJMBOSLFTATH-UHFFFAOYSA-N
+CC(C)(CC1=CC(=CC=C1)NC3CCC2CNCC2C3)C#N,DBB1A64F930584DE_014E1C6A0929F6B2_6041_DP,8.523537,00000000000000000000000000000000000000000100000000000000000000000010000000100000001100100011000010001100110000011001001001000000110101010110001001010101010110101111010,XBBCRVGYXYDTQH-UHFFFAOYSA-N
+N3CCC1(CC1(COCC2=C(C=CC=C2)CC=C)C#N)CC3,FB53AE1E015E202B_7E2CA08C79FEFEEB_6039_DP,8.523462,00000000000000000000001000000000001000000100000000000000000000000010000000000000001000100001000001111000110001011000001001000010110000000110001011010011010101100111110,WPOYWQLTCTWQMK-UHFFFAOYSA-N
+CC1=CC(=C(C#N)S1)NC2=CC(=C(CC)C=C2)[N](=O)=O,0BAD3D10A2BECAB0_71AEEF781E3F68FB_6041_UN,8.523311,00000000000000000000000010000000000010000100000001000000100000010000001100000000110100001000001010000010000000000010000100101100001001010100001010001111000110111111110,VLSZELGXFCTGJP-UHFFFAOYSA-N
+CC1=C(C3=C(N1CCCCN2CCNCC2)C(=CC=C3)Br)C,A3D5CA4F60619C1A_646CC56AF953443B_6034_UN,8.523187,00000000000000000000000000000000000000000000001000000000000000000100000000010001001101110001000010101100110110010000101011100100110000100110001011011111010110101111010,SPVBLNYTUDTTMA-UHFFFAOYSA-N
+CC5(C)CCC1=C(C=CC(=C1)N[C@@H]3CCN(C2CC2)[C@H]3C4=CC(=C(C=C4)F)F)O5,9A0C0EF3FC86AA67_3F7C55CA0424B11B_6041_UN,8.522929,00000000000000000000001000000000000000000010000000000000010000100010000000110001100101010011000010101100110100011101101011100100110011110100001011011111110011101111110,FEMGBKUEGQYDRL-GGAORHGYSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCCC3NCCC4=C3C=CC=C4,4F4C46CDBD45EA66_189CCFF17EF37316_6041_DP,8.522888,00000000000000000000000000000000000000000100000000000100010000100010000000000000101000100011000000101100110001011000001011000100110111010110001011010001010111100111110,ACIVQNOPKCLJAE-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC=C2)NCC3=CC=C(S3)[S](=O)(=O)N4CCCC4,55F4E8DD0367A2CA_443C7AF3A677725D_6041_UN,8.522799,00000000000000000000000000000000110010000000000000010101001111001101000001010000111100101000001010001110011000011000011011101100011101011110001000011001010110110111110,SBEUBIFRAOFYHG-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC(=CC=C1)C2=NN=CO2)NCC4=CC3=C(C=C(OC)C=C3)C=C4,1C26A9DAD4DA1026_A36F178C665B1EDE_6026_UN,8.52258,00000000000000000000000000000000110000000000000000011001011111101101010001000000111100001000111110001110011000101100010011001111001000001100101101101001110111111111110,HBDZCLRZOOCJRQ-UHFFFAOYSA-N
+OC(=O)C2=N[N]1C=CC=C(C1=C2)N[C@@H]3C5=C(OC4(C3)CCC4)C=CC(=C5)F,61A8B81A8808E126_9CDC8B58DE282A38_6041_UN,8.522545,00000000000100000000000000000000000000000010000000001000010000000110000000000001100100010001001111100100110100011100001011111100110111110101001011111001101011110111110,LVPPZTCBTFJJIE-INIZCTEOSA-N
+C[N]1C=CC2=C1N=CC(=C2)NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,8029A227D1D85206_8C1A1D38031CF5EC_6041_UN,8.522297,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101100011010010101100010010010001101011100100110001010110011011011111010110101111010,FGHLZGZRESWUCQ-MAUKXSAKSA-N
+NC1(CC(C1)(F)F)COC2=CC=C(C=C2)C3CNCC3,A9CF5408F31C865A_A980353A5D7F31BF_6035_UN,8.522231,00000000000100000000000000000000000000000010000000000000000000100010000000000000001110110011000110001000100101011100001001000011110101100110001100010001110111100111110,PMUXRPVJFCVXAR-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NCC2=CC=C(CSC)C=C2)C#N,704EA2495C69A895_B9A04C7653F21BF5_6041_UN,8.522003,00000000000000000000000000001000000000000100000000000000000000000000000000000000101000101000010000001000000001000101000000010111000001010010001111000111110111111111110,KBYDVAAQHFNXQG-UHFFFAOYSA-N
+CC(C)(OC1=CC2=C(C=C1)C=CC(=N2)F)C3(COCC3)N,97F2E46B96C204C2_715089EEA3F5CB85_6035_UN,8.521666,00000000000000000000000000000000000000000010000000000000010000000110000000100000000110110111000111100100110111011100101011000111010011100110001101010101110011111111110,YMUGGUYINQHDGB-UHFFFAOYSA-N
+CC(C)(OC1=CC2=C(C=C1)C=CC(=N2)Cl)C3(COCC3)N,5B23623D6AD0FD48_4BF7BFA6FFCE3747_6035_UN,8.521661,00000000000000000000000000000000000000000000000000000000010000000110000000100000000110110111000111100101110111011100101011000111010011100110001101010101110011111111110,ABTSLPGJQJUGTM-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)C#N)[N]2C=C(C=N2)NC[C@@H]3CCCNC3,52CFA697490ABA10_9127FF7078682838_6041_DP,8.521608,00000000000000000000000000000000000000000110000000001100000000100100000000010001101100110011001010101000100100010000001011101100110101110110001011011011010110100111010,JTZWUCUKIUKCKM-CYBMUJFWSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)NC3=CC(=C(N(C)C)C=C3)Cl,AC459598DE067B8C_64788EE6978AA3FA_6026_UN,8.521603,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111000011000000111011100001100010000101111001001111000011111101111100011111111110,NWRIWAUPPQMGID-UHFFFAOYSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)NC3=CC(=C(N(C)C)C=C3)F,1DCB72D33F2A5550_264E0E53B850A813_6026_UN,8.521559,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011000000110011100001100010000101111001001111000011111101111100011111111110,UUQORGLVGCUMPY-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1OC(C=CC2=CC=C(CC)C=C2)=O)C3,A60B317A3900D127_87B2F0898543C949_6038_DP,8.521399,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001000000111100110000010110001001010111110000000110000111010001111101111111110,ZOVWXGZCSOXVAS-UHFFFAOYSA-N
+CC(C)(CC1=CC=C(C=C1)NC3CCC2CNCC2C3)C#N,F11696F9706B60C0_7FCA25AEDD784008_6041_DP,8.521172,00000000000000000000000000000000000000000100000000000000000000000010000000100000001100100011000010001100110000011001001001000000110101010110001001010101010110101111010,QPXYLZLREUHBCL-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CCNC2)CC3=CC(=C(C=C3)Cl)[N](=O)=O,2D306DC0221EE728_27C295638D29F1C2_6031_UN,8.521039,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000110001001000101111110101010000001101111110111001111110101011111011011111110111110,FKRCBTKQRNQBIU-UHFFFAOYSA-N
+CCCC1=CC=C(S1)[S](=O)(=O)NC2=CC(=C(C=C2)F)CC,F15E6B9E51D0B9A0_68528D2AD853E61D_6026_UN,8.520747,00000000000000000000000000000000110010000010000000010001001111001001010001000000010100011001001010000010001100001011011000001100001001111100000010011111000110111111110,VEKIEKGVZMAGTO-UHFFFAOYSA-N
+NCC1=CC=C(C=C1)CN4CCC(OC3=CC2=C(CC(N)CC2)C=C3)C4,33240B24996FE123_23CF208487699F33_6035_UN,8.520501,00000000000000000000000000000000000000000000000000000000000000000000000000010000001111100010000111001100110000010100001001100111110111000110001111011001110111100111110,WDUBUADJTWJZLW-UHFFFAOYSA-N
+CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3=CN=CC(=C3)N(C)C,5D6F250282A568E0_8C36822E2D7BEE95_6026_UN,8.52034,00000000000000000000000000000000110000000000000000010001001111001101010001100001110001101000011000100010001000001100010001101111001001011100011101101101100011111111110,VOMLISLYTZNWEP-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NC3=C(C=CC=C3)SCCC#N,E4C77438F0E6C163_E3CA28ADB0BEF88E_6041_UN,8.520055,00000000000000000000000000000000000000000110000000000000010100101010000000000000010000111001000000100000000101011000001000000100110011110110001011010011010111100111110,SFDPVKUXYXICJP-UHFFFAOYSA-N
+N([C@H]1C3=C(OC2(C1)CCCC2)C=CC(=C3)F)C(=O)C4=C5C(=CC=C4F)[NH]C=N5,628E73FF451E1956_91D4D6C8FCF59D54_6038_UN,8.519922,00000000000000000000000000000000000000000010000000000000010000000110000000000101100100010001100011100100110100111100011011000100110111100100001011010011101011110111110,VUINYMNNOUVTAH-MRXNPFEDSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3(C)C4=C(CCO3)SC=C4,A2DC065853BBBF0B_F5CA1FE81198A2B4_6041_UN,8.51969,00000000100100000000000000000000000010000000000000000000010000100010000010000000011100101001010110101100010011001001101010000111110011010110000111110101110111111111110,XSCPNKMSAXJJHY-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2Cl)F)C[C@H]3O[C@H](OC)CNC3,20A320394298D24A_2F4301351F05C6BD_6034_UN,8.51925,00000000000000000000000000000000000000000010000000000000010000000100000000010000101111110010010110101101110100010000101011110111100110100110001101011001110111111111110,KOAMLNADAJMFGS-WFASDCNBSA-N
+NCCC1=CN(C2=C1C=C(C=C2F)Cl)C[C@H]3O[C@H](OC)CNC3,ABA52249FB076B0E_D7439C377C992384_6034_UN,8.5192375,00000000000000000000000000000000000000000010000000000000010000000100000000010000101111110010010110101101110100010000101011110111100110100110001101011001110111111111110,VTOSWMBXBYRMPN-WFASDCNBSA-N
+NCCC1=CN(C2=C1C=C(C=C2Cl)Cl)C[C@H]3O[C@H](OC)CNC3,56CB73B87CFE9764_5CEF2A88CE4125F6_6034_UN,8.519222,00000000000000000000000000000000000000000000000000000000010000000100000000010000101111110010010110101101110100010000101011110111100110100110001101011001110111111111110,XCMXQVJAYMZJIK-WFASDCNBSA-N
+C[C@H](OCC1OCCC12CCNCC2)C3=C(C=C(C=C3)C)C,6971DD0E527253E9_2D8449F86024C202_6039_DP,8.519093,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100001000010101000110001011000101011000010110010000110010011010111110101111111110,JRUQLJAQHPYIIW-ATNAJCNCSA-N
+COC1=C(C(=C(C=C1)Br)F)NCC2CNCC3=C2C=CC=C3,B06E2511798ED80E_04006E9097978610_7022_DP,8.518947,00000000000000000000000000000000000000000010001000000100000000000000000000000000101000110010010100101100010100000100000001000111100101110110001111000011110111101111110,IQVUZAPOCGRCEP-UHFFFAOYSA-N
+C1(=CC(=NC=C1)N2CCCC2=O)NC4=C3C=NC=CC3=C(C=C4)[N](=O)=O,57712766857AFD79_5D9ECBFE1CAB1DB0_6041_UN,8.518916,00000000000000000000000010000000000000100000000001000000100000110100001100010100100101000000101011101110010000110000011111101101011011011100001101111011011010110111110,AWLBLIXLSADYFY-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CSCC#N)NC2(CCN(C)CC2)C#N,07F675DF45EA5ED2_6936C761B57FF133_6041_UN,8.518806,00000000000000000000000000000000000000000100000000000000000000000010000000010001100001101010010000101000100000011001101001100000110001010110001001011001010110101111010,LBXHWGZENLZKRK-UHFFFAOYSA-N
+CN(C)CC3(COC1=CC2=C(C=C1)CNCC2)COC3,29B260ADB1E27D02_59DD407C73B4E2EF_6035_UN,8.518678,00000000100100000000000000000000000000000000000000000000010000000010000000100000001001100101010001101100110011011101001011100011110000000110001111011101110101111111110,BXNJPZPJIXRGHE-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC3=C2C=C(C=CC2=CC=N3)Br,079FFBDF351F2BA4_9966AC5659E820A5_6035_UN,8.518101,00000000000000000000000010000000000000000000001001000010100000010100001100000001101010010001101100101110110101110100011101101111001111110110001111111011010111110111110,LQGDVXLNLSQSBF-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[N](=O)=O)NCCOC3=C2C=C(C=CC2=CC=N3)Cl,0D5777FB61426436_46BB046352802239_6035_UN,8.518068,00000000000000000000000010000000000000000000000001000010100000010100001100000001101010010001101100101111110101110100011101101111001111110110001111111011010111110111110,XPQYAQWVZJDRIS-UHFFFAOYSA-N
+O(C(CC1=CC=CC=C1)C#C)CC2OCCC23CCNCC3,149D3264F2961F17_3BF2DC693A47829C_6039_DP,8.517984,00000000000000000100000000000000000000000000000000000000010000000010000010000000001100100001000010101000110001011000001011000010110010000110000001010001110101110111110,BRAREMGHPLRKMD-UHFFFAOYSA-N
+CC3(C)CN(CCOCC1=CC=C(C=C1)N2CCOCC2)CCS3,4E69EE48E1A6ED12_9ACACA58DB690ABF_6039_UN,8.517635,00000000000000000000000000000000000010000000000000000000010000100010000000110000010001101000000100101000000011011001101011100010110011010110001001011100010111111111110,NJJJOXKRHHFGPB-UHFFFAOYSA-N
+N2C[C@@H](COC1=CC=C(C(=C1)OC(F)F)C#N)[C@@H](C2)C(F)(F)F,BC34FF249CF8DC8C_586FC42C6B344B65_6003_DP,8.51738,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100100111000011001000001101001100000001000011110000100110001110000011110101110111110,SIMYRXXAUDNARX-GXSJLCMTSA-N
+N(CC1=NSC=C1)C(C2=C(N(C)CC=C)C=CC(=C2)[S](=O)(=O)N)=O,E98D6B291D88ECF6_C3BECB52FAC8E744_6038_UN,8.51733,00000000000000000000000000000000111010000000000000010001001111001101010001000001111111101000111011011010001000111001010011101100001101011110001010101011011110111111110,PHGDWIZEZNSSPI-UHFFFAOYSA-N
+N2CCC(OCC1=C(SC)C=CC=C1)CC2C3=CC=C(C=C3)F,1DA9B0DBDEEC50CF_EDFE66396E9F7671_6039_DP,8.516963,00000000000000000000000000000000000000000010000000000000000100101000000000000000011000011001010001101000100111010000001001000111110010100110000111010011110111101111110,GSIWYPGXFOTFML-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)Cl)OC(F)(F)F)N[C@H]2[C@H](N(C)C)CCC2,D06052E684676593_10768FA664A3410E_7022_UN,8.516939,00000000000000000000000000000000000000000010000000000000000000000000000000100001000001110011010011000001101110011100101000100011010001110000001110011111100011101111110,ZSDSHRAGVSXJSQ-VXGBXAGGSA-N
+N(CC1=NC(=C[NH]1)C2=CC=C(C=C2)F)C(C45CC3(CC(CC(C)(C3)C4)C5)F)=O,5A23F86D8F6CC382_25E6DDE38BE95E89_6038_UN,8.516806,00000000000000000000000000000000000000100010000000000010000000100110000000000101001100010010100010001100110110111001010011000100100100100100001001000001011110101111110,ABDFCZIVJSWYQF-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C(=O)N(C=N2)CC3(CNCCC3)C4=CC=CC=C4)F,8F01DB6D495B5729_034F1F98CD1FC0EF_6034_UN,8.516557,00000000000000000000000000000000000000000010000000000000000000100110000000010100101001110011100001101100110100111100011011100101110000100110001111011011011110100111110,FYPPSUIDLPYQIW-UHFFFAOYSA-N
+ClC1=C(C2=C(C=C1)C(=O)N(C=N2)CC3(CNCCC3)C4=CC=CC=C4)Cl,EE5BEBD4495E09E2_0972CA845102D66F_6034_UN,8.516544,00000000000000000000000000000000000000000000000000000000000000100110000000010100101001110011100001101101110100111100011011100101110000100110001111011011011110100111110,QAQBSYATDXDSDO-UHFFFAOYSA-N
+COC1=C(C=C(C=N1)[N](=O)=O)NC2=CC(=C(OC)C=C2C)C,C355BB3959DBDBC7_144A29DFA8B5E93C_6041_UN,8.516312,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000000111101100010000000100100010101101111001001010100111111101111100011111111110,PLCMLAQJXFYZAI-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC(CC)(C)N)C3CCNCC3,AF702485D8517AC0_C29E5B9DEB3B61D2_6034_UN,8.516136,00000000000000000000000000000000000000000010000000000000000000100110000000010001001111110001000010101100110100011011101011100100110100100110001001011101010110101111010,LFLICMHOAKJVJG-UHFFFAOYSA-N
+C(C2CC1=C(C=CC=C1)C2)=CC4=C3OCCC3=CC(=C4)Cl,C8ED61D5A28D2642_B858382000BDD88B_7019_UN,8.515938,00000000000000000000000000000000000000000000000000000000010000000000000000000000000100010000000010010101010101000100001000000100010010100100000011010000110001000011110,PWPJJPNUKUSIKZ-UHFFFAOYSA-N
+COCC4(COC1=CC=C(C=C1)C2CNCCC2)CC3OC3C4,6E956BB409092BBF_7B16A22DB88E3E33_6035_UN,8.514955,00000000000000001000001000000000000000000000000000000000010000100010000000000000001000100111010010101000110011011101001011000011110010000110000101110001110101111111110,UVRDGJNTZDZTCC-UHFFFAOYSA-N
+COCC2(OCC#CC1=CC=C(OC(F)(F)F)C=C1)CCNCC2,F8E3BB8409273B5B_60BA606010CB60ED_6039_DP,8.51492,00000000000000000100000000000000000000000010000000000000000000000010000010000000001000100001010001101000101111011101001001000011110010100110000101110001110101111111110,ZLZYKLOYMLPGSL-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(=C(C=N2)[N](=O)=O)NCCC3=CC4=C(C=C3)OC(C)C4,E39C28B7AC3752C3_95ACDFE4E12C5A2F_6041_UN,8.514275,00000000000000000000000010000000000000000000000001000000110000010100001100000001101100000000011011101110110000010101001111101111101011010100101111111111110111111111110,RSOQZVPCRVAGFD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC(C3=CC=C(CC)O3)COC,9508690CA97FD128_EA48D9B29413CC19_6041_UN,8.5142565,00000000000000000000001000000000000000000100000000000000010000100010000000000000000100100100010110000000100001011011000000000110000011010100001000010101110111111111110,FKEMVZJIYHZUJV-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC3=NC(=CS3)C4CCCCCC4,05AC5D68688150E3_79ADA99D1908B537_7022_UN,8.514138,00000000000000000001000000001000000010000010000100000000010000100100000010000100010100011000000011000100011101000100001011010100110001110100001010010011110011110111110,GJSSJTYFFWWRCK-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NC2=CC3=C(C=C2)N=C(C#N)C=C3,2045189AB0B3AA6E_5B0DA2FEB8BE9831_6041_UN,8.514124,00000000000000000000000010000000000000100100000001000000100000010100001100000101100000000000011100100110010000000100000111101111001001010100001111101011100011111111110,VLUSLGHVLAEGER-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=CC1=C(C=CC=C1)S2)CCOCC3,E497C7B9955B98D4_D5612CC81359C4B1_6035_UN,8.514076,00000000000000000000000000000000000010000010000000000000010000000010000000000000011110101101000011101100010101001100001010000111110010100110000101010001110101110111110,FQQGUQJNWOKWLJ-UHFFFAOYSA-N
+COCCOC1=NC=CC(=C1)COC2=C(C=C(C(C)(C)C)C=C2)N,1A1BA1D7B1F4217C_57E9EDBEA2F1AEF9_6035_UN,8.513842,00000000000000000000000000000000000000000000000000000000000000000110000010100000000010100001110100100000000001101101111001000111000011010110011111110111110111111111110,GGSBMGPNTDVDCN-UHFFFAOYSA-N
+CC1=C(N=CC(=C1)NC2C(OCC)(OCC)C3=C(CC2)N=CC=C3)C#N,E0FFAA9500C99AA4_0FE38831F5B42ED2_6041_UN,8.513478,00000000000000000000000000000000000000000100000000000000000000000100000000000001000000000011000101100100110001011010001011010111100001010110011111010111110111111111110,QPGYYHWQUSGCOS-UHFFFAOYSA-N
+CC(C)OC1CCC2=C1C=CC(=C2)NC3CCNC4CCC34,C829337E81B056CE_247BD6C296E1C99B_6041_DP,8.513331,00000000000100000000000000000000000000000000000000000100000000000000000000100000101000000011000010101100110010010000001001000011110111010100001111010101110011101111110,UPOANGRFCHWJQX-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)C=CN2CC3(CN)COCC4COCCN34,F967BF4215676ECD_79A6C28C8BC1EE7A_6034_UN,8.512673,00000000000000000000000000000000000000000000001000000000010000000110000000010001101111110111000111101100010101011000001011100100110010100110001001011001010111110111110,OSVRCNIBCMSLNT-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=CN2CC3(CN)COCC4COCCN34,761C62194CDB9E89_6A3D90214A026FB2_6034_UN,8.512666,00000000000000000000000000000000000000000010000000000000010000000110000000010001101111110111000111101100010101011000001011100100110010100110001001011001010111110111110,IEBJVDYHSCFUPW-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)C=CN2CC3(CN)COCC4COCCN34,524FB6450598AAA9_946E62F2F6EA8797_6034_UN,8.51265,00000000000000000000000000000000000000000000000000000000010000000110000000010001101111110111000111101101010101011000001011100100110010100110001001011001010111110111110,CXPQRRJCNCHXIU-UHFFFAOYSA-N
+CC3(C)CC(C)(COC1=CC(=C(C=C1)CN2CCCC2)Cl)C3,86E742B98DFE2D2A_7C6AC6E71A21F64F_6035_UN,8.512612,00000000000100000000000000000000000000000000000000000000000000000010000000110000000101110000000010001001000111011101001001100011110000100110010110011110110101101111110,CYDHKHXJIVXAJY-UHFFFAOYSA-N
+CC(C)C1C2(CN1)C[C@H]([C@@H](C2)OC3=C(C)C=CC=C3F)N,F3DDADE1FC6E8647_AB855ED92BD44194_6035_DP,8.512529,00000000100100000000000000000000000000000010000000000000000000000010000000100000001010010011000110001000110110011100000001000011110111100100011110000111110011101111110,SZFHZSODZITGOD-QBBMROGASA-N
+N2CCC(OC1=CC(=C(C(=C1)OC)C#N)F)CC2C3=CC=C(C=C3)F,C9FFDBE2B39207AD_D22A98376BDA1EA5_6003_DP,8.512521,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000010101010001101000100100010100001001000111110010100100001111010011110011111111110,FZBGMTZGYNWKBY-UHFFFAOYSA-N
+CC(C)C1C2(CN1)C[C@H]([C@@H](C2)OC3=C(C)C=CC=C3Br)N,7AFC64B8D36AC09D_6DB5202EB65AC609_6035_DP,8.512515,00000000100100000000000000000000000000000000001000000000000000000010000000100000001010010011000110001000110110011100000001000011110111100100011110000111110011101111110,OLSMPZCOKAZOLS-QBBMROGASA-N
+CC1=C(C3=C(N1CC2(CC)CNCCC2)C(=CC=C3)Br)C,75D356EE3A768A12_8D16B81A27EB4F4F_6034_UN,8.512261,00000000000000000000000000000000000000000000001000000000000000000110000000010000101101110011000010101100110110011010101011100100110000100110011011011111010110101111010,MOSBSMUSOUVTQG-UHFFFAOYSA-N
+OC(=O)C3=CC1=C(C=C(C=C1F)NCC2CCCN(C)C2)[NH]3,3872BBD0DAAD747B_3E6C24AF468655A8_6041_UN,8.5121155,00000000000000000000000000000000000000000010000000000110000000000100000000010000101101110011010110101100010110010001101011110100110101110111001001011001011111111111110,RCVLZGBKWPQTGU-UHFFFAOYSA-N
+C2(=C1OCCCC1=CC=C2)NCCCC3=NC4=C([N]3C)C=CC(=C4)F,413EA63D55A94CFE_5FD063578FEA11B4_7022_UN,8.511858,00000000000000000000000000000000000000100010000000000000010000000100000000010101001101010011010110101100110111010100101011100100100011110110001011011011110111101111110,OAKABXIWMQXJMK-UHFFFAOYSA-N
+COC1=CC(=CC=C1)[S](=O)(=O)NC2=C(C=C(CN(C)C)C=C2)F,0755DD4044FA067A_1A79695A95CC2F26_6026_UN,8.511478,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111000011000001010001100001101010000101111001001111000011111101111110111111111110,GLGALBZEHDNWEU-UHFFFAOYSA-N
+NC2(CCOCC1=CC(=C(F)C=C1)C#N)CCSCC2,785087DC47983A44_01F7B17DD4C534CB_6039_DP,8.511265,00000000000000000000000000000000000010000110000000000000000000000010000000000000000010111010000001100000100101011000001000000010110011100110001011010011010111100111110,VIGCZBIDOIUQTK-UHFFFAOYSA-N
+COCC1=CC2=C(C=C1)CN(CC2)[S](C3=CC(=CC4=C3N=CC=C4)OC)(=O)=O,3441BA922A1E7F53_65519402689A47C2_6029_UN,8.511259,00000000000000000000000000000000110000000000000000010001001111001101000001010000110000101000011001101110011001011101011011101111111000001110101111111100110111111111110,NBGKXRQSOLOASF-UHFFFAOYSA-N
+C[N]1N=C(C2=C1C=CC=N2)NC4=CC(=C(N3CCN(CC)CC3)C=C4)F,F717CFE316DDD2F3_2332681A263BDE6F_6041_UN,8.511237,00000000000000000000000000000000000000100010000000001000000000100100000000010101100101110000011010101100010110010010101011101100110001110110001011011111010110101111010,XEFMJLXAPQAYMF-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)C(N(C)C4)=O,AA4151916DD61741_6D54AD149707A27D_6035_UN,8.511174,00000000000000000000000000000000000000000010000000000000000000100010000000010000001101110011110111001100110100111101011011100111010010100110001111011011111011111111110,HQKGCZWEVKKPQM-UHFFFAOYSA-N
+N[C@@H]1COC[C@@H]1OC2=CC(=C(C=C2)F)NCC(F)(F)F,48CDDED270680C2D_45B82FC40EE31666_6035_UN,8.511009,00000000000000000000000000000000000000000010000000000000010000000000000010000000001110110111000111001000101101011100000000000011010111110110001110000011110111110111110,HIDVVNXYEZWEJF-KOLCDFICSA-N
+N2CCC(C)(COC1=CC=C(C=C1)C(F)(C(F)(F)F)C(F)(F)F)CC2,D6278399BA11FBFC_CB93C85A9DC9FFE7_6035_DP,8.510937,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000100001000000101000101101011101101001000011110000100110000101010001110101101111110,WIQDTSOWWJVQOS-UHFFFAOYSA-N
+C2(=C1OCOC1=CC(=C2)CC#N)NCC(C3CCCN3)(C)C,C833A508AF166E24_0368840C58DA8E7C_6041_DP,8.510888,00000000000000000000000000001000000000000100000000000100010000000010000010100000101100000011000111001100110011011101101011010000110101010110001010010101110111111111110,ADQFNJDGTCBHHX-UHFFFAOYSA-N
+OC(=O)C1=CC2=C(C=C1)N=CC(=C2)NCC3NCCN(C)C3,4E767070C2B7C942_6B42216F5D94DA0D_6041_DP,8.510748,00000000000000000000000000000000000000000000000000000010000000000100000000010001101001100011010000101100110010010001101011110100110101010111001001011001011111111111110,TWRLDJUVTIREIR-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)C(=CN2CC3CNCC34COC4)CC#N,B81C22E640F8F8CF_E411599C7EB41736_6034_UN,8.510744,00000000100100000000000000000000000000000100000000000000010000000110000000010000101101110011000011001101010101011000000011100100110000100110001000001001010111100111110,WGIMGZFGLQCZTE-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)C(=CN2CC3CNCC34COC4)CC#N,01468299A96DC5DB_DF4388DDDA09456A_6034_UN,8.510744,00000000100100000000000000000000000000000100001000000000010000000110000000010000101101110011000011001100010101011000000011100100110000100110001000001001010111100111110,YKQVEFDSGUGZCG-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC3CNCC34COC4)CC#N,194305A6596C1B2A_1DEC2B705F374629_6034_UN,8.510735,00000000100100000000000000000000000000000110000000000000010000000110000000010000101101110011000011001100010101011000000011100100110000100110001000001001010111100111110,PPQPDMBWCAZMSG-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)OCCC2=O)NCC3=CC=C(CN(C)C)O3,E1E8EB9D6FE8955A_0B961A1A6128BD05_6041_UN,8.510377,00000000000000000000000000000000000000000000000000000000010000000000000000100000001101100101010111101100010011000101001010100101100011010110011111111111111111111111110,PCXHENAEXCHELY-UHFFFAOYSA-N
+CN1C(=O)CC2=C1C=CC(=C2)NC3=CC4=C(C=C3)COC4=O,2A43490402638F88_781B5D39B8CB52F3_6041_UN,8.51025,00000000000000000000000000000000000000000000000000000000010000000000000000010000000101000001110010000100010011110000110011110101000011011100001111101011011011111111110,ZZEKKTGFGMUCRY-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=C(OCCOC)C=CC(=C3)C#N,C441F551848A65DE_6CC663D990F93CBC_7022_UN,8.51022,00000000000000000000001000000000000000000100000000000000000000100000000010000000000000100001010100000000000001000101101000000111000011010010001111010011110111111111110,NEZIVBIQFZQFTI-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)C(=O)C=CO2)CC3=CC4=C(C=C3)CNCC4,D2CBED1F1E253740_955835A6F18B2C0D_6031_DP,8.510137,00000000000000000000000000000000000000000000000000000000010000000000000000000000001000100101000000101100110001010100001011010111110000001110100111110001111101110111110,RXKOVDVQVFQUIU-UHFFFAOYSA-N
+N3CC(CNC(=O)C1=CC(=C(C(=C1)F)Br)Cl)C2=C(C=CC=C2)C3,3CA6E43DEB459A09_B194980AF2B92757_6038_DP,8.509972,00000000000000000000000000000000000000000010001000000100000000000000000000000000101000110010100000101101010100100000010001000100100100100110001011000011011110100111110,PBHNRXIMBQDLIK-UHFFFAOYSA-N
+N3CC(CNC(=O)C1=CC(=C(C(=C1)F)F)F)C2=C(C=CC=C2)C3,E1C8EF7C9FD52FAE_8D42C722A1D29CA7_6038_DP,8.509971,00000000000000000000000000000000000000000010000000000100000000000000000000000000101000110010100000101100010100100000010001000100100100100110001011000011011110100111110,SUQUSDDXFOVYCJ-UHFFFAOYSA-N
+COCCOCCCOC2=C(C=C(CN1CCN(C)CC1)C=C2)N,F070CA3AC4ABB1BF_57A8640AC3F0ED33_6035_UN,8.509965,00000000000000000000000000000000000000000000000000000000000000000000000010010001000011100101010100101000000001010101101011100011110011010110001111111111110111111111110,WYLVYUNTCAPESV-UHFFFAOYSA-N
+N3CC(CNC(=O)C1=CC(=C(C(=C1)F)I)F)C2=C(C=CC=C2)C3,520D599C4D411339_4153FC53D2C90F4C_6038_DP,8.509958,00000000000000000000000000010000000000000010000000000100000000000000000000000000101000110010100000101100010100100000010001000100100100100110001011000011011110100111110,VEOGQXNHNBFSMH-UHFFFAOYSA-N
+N3CC(CNC(=O)C1=CC(=C(C(=C1)F)Br)F)C2=C(C=CC=C2)C3,91EA70AB635ED5E7_5A78F6E8C8DDA2AF_6038_DP,8.509955,00000000000000000000000000000000000000000010001000000100000000000000000000000000101000110010100000101100010100100000010001000100100100100110001011000011011110100111110,HDRMAVZCHTVJEB-UHFFFAOYSA-N
+F[S](=O)(=O)CC1=C(C=CC=C1)NC3=CC2=C(C=C[N]2CCN(C)C)C=C3,95141951DCB97314_9D019490AB85AEB4_6041_UN,8.509829,00000000000000000000000000000001000000000010000000010001001011000101000001110001100101101010010010001110011100011001101001101100001011111110001011011111010110111111110,SIFBHULDTCCLRB-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3CCNCC3)CC4(CCC4)C#N,E958267CC6710FAA_052E817C90E483EF_6034_UN,8.509552,00000000000100000000000000000000000000000100000000000000000000100110000000010000101101100001000010101100110000011010001011100100110000000110001001011001010110101111010,XJFVZDKDYFJTGM-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=C(C=C(CC)C=C3)N,164F03E92220B312_781C1B0C04020DAF_6035_UN,8.509197,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110100011000111001000101100011110001001000111010111110110001111010011110111101111110,HJEKNHXXMGFZIO-UHFFFAOYSA-N
+C2(=C1OC=CC1=CC=C2F)NC4(C3=CC=C(OC)C=C3)CC4,CB80837CA0F294D9_CCAB19E585ECAE39_7022_UN,8.509028,00000000000000000000001000000000000000000010000000000000010000100010000000000000000100010010010110000100110100011100000000000111000001110100000111010011100011111111110,BLMPXHGRKOVOSC-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)COC2=O)NCCSCC3=CSC=C3,4C65C83325AD37AC_5D4D4C65A8B9D717_6041_UN,8.508476,00000000000000000000000000000000000010000000000000000000010000000000000000000000001100101001000010001100110001010000001010010101010001010110000110010001011111110111110,ZIBUWKIWFKSXCK-UHFFFAOYSA-N
+C[S](=O)(=NC1=CC(=CC=C1)NC2=CC3=C(C=C2)N=C(O3)C4CC4)C,FAFA184ECA69ABFF_293B2BD702AA6C8C_6041_UN,8.508337,00000000000000000000001000000000110000000000000000010000011011100101000001100000100100101000111111000110010000101000010111001100001001010100001001011101100010111111110,DCUBXZQDSSZHTF-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(C=CC=C2)OC(F)(F)F)C(F)(F)F,215BB0696664A9C3_08E69A8E89BF24CA_6035_DP,8.508304,00000000000000000000000000000000000000000010000000000000000000000010000010000000001000100001000000101000101110011100101001000011110000100110000111010011110001111111110,DSRXXESRQUEQQW-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C[N]1N=C2)NCC4ON=C(C3=CC=C(OC)C=C3)C4,1960A3AD5DE7DFEF_C1ACF6D14EA5AFC5_6026_UN,8.507628,00000000000000000000000010000000110000000000000000011001011111101101010101000010111100001010011111101110011000011100010111101111001010001100101101101001110111111111110,HDHQCZHARDUYKY-UHFFFAOYSA-N
+CN2[C@H]1CNC[C@H]1C[C@@H]2COC3=C(C=CC(=C3)C(C)(C)C)I,395DBA060E2D5BDA_8480E03F8105855D_6035_UN,8.507567,00000000000000000000000000010000000000000000000000000000000000000010000000110001101101110011010110001100010111011100100011100011110000100110011110001111110111101111110,MUDSZQFWNXBSNT-XPKDYRNWSA-N
+CC[C@H](OCCOC1(CCC1)C#N)C2=CC(=C(C=C2)C)F,3CE6F38C92BFD085_48E4144973591996_6039_UN,8.50682,00000000000100000000000000000000000000000110000000000000000000000010000010000000000000010000000100000000000111001010001000000011110010100010000110010110110101011111110,URIHJRNGFKMYKM-INIZCTEOSA-N
+NCCC1=CN(C2=C1C=CC(=C2)F)CC3(CCNCC3)C(F)(F)F,60BB6C55AF7900D6_A996A17D816348DD_6034_UN,8.50682,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111110001000010101100111100011000001011100100110100100110001001011001010110100111010,DPMHLWKBUUSOIW-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC(=C2)Cl)CC3(CCNCC3)C(F)(F)F,6141A50D64C66F6A_ABE471F5103CDC6B_6034_UN,8.506819,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111110001000010101101111100011000001011100100110100100110001001011001010110100111010,KYLZWEUDOWBVQV-UHFFFAOYSA-N
+COCC2=CC(=O)C1=C(C=CC(=C1)F)N2CC3=CC=C(C=C3)CN4CCCCC4,9D6EFA32F085BD0E_E9E054F9EC002775_6034_UN,8.506631,00000000000000000000000000000000000000000010000000000000000000000100000000010000000001110000010101101100010101010101001011100111110000100110001111011010111111111111110,NLFXLEGXRNSCCN-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)Br)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CN(C)C,5F5F2527A4AE457F_A545AEC3105973F6_6026_UN,8.506485,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111101011001001011001100001101010000101111001001111000011111101111110111111111110,BRWCPOFEJQAFLM-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)Cl)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CN(C)C,4A370583D596C445_D2DB63DBFCC122AD_6026_UN,8.506484,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111101011001001011001100001101010000101111001001111000011111101111110111111111110,AWQBRBWHOGGYAK-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)F)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CN(C)C,F6C27AF2100CB2BE_B06ADB35886C30EF_6026_UN,8.506483,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111101011001001011001100001101010000101111001001111000011111101111110111111111110,PIWPTZNSDHREAA-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C#N)F)NCC3CCNCC3,97B944B993A7C79E_764BE62A17B980A9_6041_DP,8.5063715,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110011000001101000100100010100001001000111110101110110001111010011110111100111110,KZAUMLIZMKUWKM-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC3=C(C=C(C=C3)F)C4CC4,8B66F28CA242A642_E3A031BF86B2CEEA_6041_UN,8.506348,00000000000000000000001000000000000000000110000000000000000000100100000000000001000100010001000010000100010100000000000001000100000101110100001011010011000010100111010,KUIRVGWTTWPOBY-UHFFFAOYSA-N
+C1CC(CCN1)C3=CC2=C(C=CC=C2)[N]3CC(CC4=CC(=C(OC)C=C4)Br)CN,8238FA672212E022_FE1FB6537C170E5E_6034_DP,8.506327,00000000000000000000000000000000000000000000001000000000000000100100000000010000101111110011010010101100110100010100001011100111110100100110001111011011110111101111110,VEPZXLVVWWJYOW-UHFFFAOYSA-N
+CSCC3(C=CC1=C[NH]C2=CC=CC(=C12)Cl)CCOCC3,3C240EED23305EAA_252E475BD0FFC424_7019_UN,8.506183,00000000000000000000000000000000000000000000000000000000010000000110000000000000000100111000010010110101010111001001001011000100110010100110000001010001010111001111110,NKSFWICXBAQPMI-UHFFFAOYSA-N
+CSCC3(C=CC1=C[NH]C2=CC=CC(=C12)F)CCOCC3,CEF32E92276A6640_67C0992D0F93EF5F_7019_UN,8.506173,00000000000000000000000000000000000000000010000000000000010000000110000000000000000100111000010010110100010111001001001011000100110010100110000001010001010111001111110,NXQYBUSGKRFCOD-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CCCNC(C)C#N)C3CCNCC3,F7479EA98E1BDE79_06C9248CAB75C3F0_6034_UN,8.505576,00000000000000000000000000000000000000000110000000000000000000100100000000010001101101110011000010101100110110010000101011100100110100100110001001011001010110101111010,XIRRDDKHQRTJAM-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NCC(C)(C)C[N]3C=CC=N3,F3D7F066C388E9BE_30318C47BDB9F28B_6041_UN,8.5055485,00000000000000000000000000000000000000000100000000001100000000000110000000110000101100000011001010001100010000011001000011101100000101010110001000001101010110101111010,ZPWCXLNQQLTVMT-UHFFFAOYSA-N
+N(CC1=C[NH]C2=C1C=C(C(=C2)F)F)C([C@H]3CSCN3)=O,1522D34624969275_CD1406FC22B8DAA2_6038_DP,8.505534,00000000000000000000000000001000000010000010000100000110000000000100000000000001101100111011100110001100110100110000010011000100110100100110001010000011011110100111110,YGLHJSKHXLCFSU-GFCCVEGCSA-N
+CSC1=C(C=C(C=C1)CN[S](C2=CC(=C(C=C2)CBr)Cl)(=O)=O)C#N,61B430DD8EBD3CAB_5937C558F2D9A828_6029_UN,8.505397,00000000000000000000000000000000110000000100001000010001001111001001010001000000011000011000011000001011001100001000010000001100001000101010001011001011010110111111110,VEZULZQOLBYUET-UHFFFAOYSA-N
+CSC1=C(C=C(C=C1)CN[S](C2=CC(=C(C=C2)CBr)F)(=O)=O)C#N,EF7DE3BABBA59A11_9C942568FBBC821C_6029_UN,8.505393,00000000000000000000000000000000110000000110001000010001001111001001010001000000011000011000011000001010001100001000010000001100001000101010001011001011010110111111110,XXWGFGUEBKDSDZ-UHFFFAOYSA-N
+CC(C)(C)N1CCC1COC3=C(C2(N)CC2)C=C(C=N3)Br,45F7FFA19C843008_9D6314DD3A17FABD_6035_UN,8.505124,00000000100100000000001000000000000000000000001000000000000000100110000000110000100011010010100101101000100111111100111011100011110001100110011110011111010111101111110,IWMFPXTVNZSRJD-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)F)C)NCCCN3CCC(N(C)C)CC3,E0F39038FFDF6197_18ACD40E3ACB8C38_6041_UN,8.505026,00000000000000000000000000000000000000100010000000000000000000000100000000110100101001110010010000101100110110010000101011100100110001110110011011011111010110101111010,DEIIFOFNCYQKMP-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OCC2CCOC2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,6E4D1E2295413698_52E6F17BB4CA9E92_7022_UN,8.504959,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110101011111101000000111010110101011101111110011110110001111111111110111111111110,ZWHHUPWIGMAQIY-LALCZMHNSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(SCC)C=CC=C2Br)C,FD338DEA971E7276_EEE11EA6AE58B943_6026_UN,8.504675,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000011001011000000010001100001110010000001111001001111000010111101111110111111111110,FXHUMPFEPKXTTK-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(SCC)C=CC=C2F)C,E194E9761D175E08_31E5B4D6742AF887_6026_UN,8.504663,00000000000000000000000000000000110000000010000000010001001111001001010001000000010000011001011000000010001100001110010000001111001001111000010111101111110111111111110,DLEIUXSCEXKWND-UHFFFAOYSA-N
+C1(=C(C=NC=C1)F)N(OC)C2CCCOC3=C2C=C(C(=C3)C)C,B38EE41C85BF2C77_8D660A933DAB8B6A_7022_UN,8.504606,00000000000001000001000010000000000000000010000000000000010000000100000100000000100000010000011001100110010111010100001011101110000011110100011011011110110011111111110,HEKCROFROBNSFS-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)F)NC3=CC=C(CN(C)C2CC2)C=C3,2D6BC93A033F3EA0_9DFC4FE3F82FCD6F_6041_UN,8.504434,00000000000000000000001000000000000000000010000000000000000000000000000000000000000001110000010000001000000100010001100000100100110001110000001011011011010110101111010,UCOMJXIWILAXAN-UHFFFAOYSA-N
+CC1=C(C3=C(N1C[C@H]2CCCN2CC(F)F)C=CC=C3)C4CCNCC4,5F454C9DF65FFDAB_4E0832EC4577A2DF_6034_UN,8.503919,00000000000000000000000000000000000000000010000000000000000000100100000000010001001101100001000010101100110110010000101011100100110000100110001011011011010110101111010,BECZLGGKDJCZGE-QGZVFWFLSA-N
+CC(C)(OC2=C1CNCCC1=C(C=C2)F)CN3CC[C@@H](N)C3,680BFFBA0B14B78C_872AE88A19A3C57A_6035_UN,8.503697,00000000000000000000000000000000000000000010000000000000000000000010000000110001101111110011000111101100110110011101001011100011110111100110001111011101110111101111110,WCWRTTPCGBRIHD-GFCCVEGCSA-N
+CC(C)(C)[Si](C)(C)OCC1=CSC=C1NCC2=CC3=C(C=C2)OCO3,A870D1B6F04CD0D0_625B482A2F958D06_6041_UN,8.503614,00000000000000000000100000001010000010000000000000000000010000000010000010100000001100101010010011001110010011001100100010011110100001010110010010101111110111111111110,ZZCHITBEBVMQMJ-UHFFFAOYSA-N
+COCCOC1=CC(=C(C=C1)N[S](C2=CC(=C(C=C2)I)C)(=O)=O)C,93356FCB149DC6A2_CCF1640CD89CDF34_6029_UN,8.503446,00000000000000000000000000010000110000000000000000010001001111001001010011000000010000111000011000000010001101001101111000001111001011111010110111111111110111111111110,DKPFBNFTLWEAOZ-UHFFFAOYSA-N
+COCCOC1=CC(=C(C=C1)N[S](C2=CC(=C(C=C2)F)C)(=O)=O)C,F101FD7EF6626172_27C811A93A97F2F3_6029_UN,8.503442,00000000000000000000000000000000110000000010000000010001001111001001010011000000010000111000011000000010001101001101111000001111001011111010110111111111110111111111110,OIDQFQZEPSVFFG-UHFFFAOYSA-N
+O([C@H]1[C@@H](CNC1)N2CCOCC2)C3=C(C=C(C=C3)C(F)(F)F)C#N,EAFFF8FC5BE93FD1_A058205BC52FB465_6035_UN,8.503256,00000000000000000000000000000000000000000110000000000000010000100000000000010001101101100001000111101000001101011100001011100011110011100110001111011011110011110111110,CNWLGOMAHOBBBZ-UKRRQHHQSA-N
+COCC4(COC2=CC1=C(CCNCC1C)C=C2Br)CC3OC3C4,AA0FA9976BF47A94_23B6DD8C45AD592A_6035_UN,8.503182,00000000000000001001001000000000000000000000001000000000010000000010000000000000001000110100010010101100110111011101001011000011110010100110000111110111110101111111110,SXPDHVDBPDWIRX-UHFFFAOYSA-N
+O(C1CNNC1)C3=CC2=C(C=C(CC(OC)=O)C=C2)C=C3,442C5C3F24797C52_B11B269C2C264BB3_6035_UN,8.503085,00000000000000000000000000000000000000000000000000001100000000000000110000000000101100000011011111001100110000010100100011011111010110000110001101100001111101111111110,BPLPBECVWIWQGS-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NC3CC4(NC3)CCOCC4,053E6B5F41A8246E_866BBBDB6D7E3A9E_7022_DP,8.503015,00000000000000000000000000000000000000000000000000000110010000000010000000000001101100110011000011101101110101011000001011000100110111110110001001010001010011100111110,HUORVUORRCSWPE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=CC(=C1)Br)C#N)NC2=CC=C(CCSC)C=C2,140F9D7DA273C459_95279B1359B52952_6026_UN,8.502827,00000000000000000000000000000000110000000100001000010001001111001001010001000000010000111000011000000010001100001001111000001100001001111000001011011011010110111111110,QCQLNRHXSTUOMQ-UHFFFAOYSA-N
+O(C(=O)C[C@H]1NCC2=C(C1)C=CC=C2)CC3CNCCC34CN(C)C4,B12874CD6A1C975B_C49194FEBA4A8810_6031_UN,8.502825,00000000100100000000000000000000000000000000000000000000000000000010000000010000001001100011010001101100110011011001001011110010110110000110001011011001011111111111110,WWWFJUDKAAYBLB-ZVAWYAOSSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)NC2=C(CCN(C)C)C=CC=C2,F30688E318037FCE_1467193432E44E35_6041_UN,8.502782,00000000000000000000000010000000000000100000000001000000100000010100001100100101000001100011011100101010000000010001101101101100001001010100011011011111010110111111110,XMQLYIVJNNHMCX-UHFFFAOYSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NC3=CN(CCOC)C(C=C3)=O,A138F76D9ED020DE_430CEA9F9D265E41_6041_UN,8.502606,00000000000000000000001000000000000000000100000000000000000000100110000000010001100001100001110100101000000001111101111011100111000011010110001111011011011111111111110,UBBSQPZBHTVYLH-UHFFFAOYSA-N
+N(C1=CC(=C(C(=C1)F)N2CCCCC2)F)C(C34CCC(N3)CC4)=O,9402F0A4C6AA1833_285D9484D761CC1D_6038_DP,8.502467,00000000000000000000000000000000000000000010000000000010000000100010000000010001000101110011100110101000110100111000011011100000110101110110001011011011011010100111110,QSCFISMNHUJNAC-UHFFFAOYSA-N
+COC(COCC1=CC(=CC2=C1OCOC2)F)(OC)C3=CC=NC=C3,8D13823456534975_4F7CC0F71877D112_6039_UN,8.502259,00000000000000000000000000001000000000000010000000000000010000000100000010000000000000110100010000100100010101001100100011010110100010100110100011100100110101011111110,LTGORPQZFABBCQ-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C4C(COC2=CC=C([N](=O)=O)C3=C2C=NC=C3)CCCN4C,4BA993F5B2AE7897_E178E8F45E1565F9_6003_UN,8.502203,00000000000000000000000010000000000000000000000001000000100000110100001100010000000001100000011001101110010011010101101111101111111001010110101101111110110111111111110,XCQNZIJBSJADEC-UHFFFAOYSA-N
+CC1=CC(=C(C(=C1)C2=CC(=C(OC)C=C2)CN(C)C)O)[N](=O)=O,5BF5FD407CD313EF_4EDF89E282A9C4FC_6004_UN,8.5022,00000000000000000000000010000000000000000000000001000000100000110000001100100000000001100100011101001010000010000101000100101111001001010001111111101110110111111111110,YBLOIEFSOTUZGU-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)[S](C3=CC=CC4=C3CCN(C)C4)(=O)=O,CDA4714E2CDC3EAD_2035ED96FBCA7898_6029_UN,8.502031,00000000000000000000000000000000110000000000000000010001001111001001010001010000010001111001011000101111011100011101111001101111111001111110001111111001110011111111110,DOGTXEJGBXRABH-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OC1=C(C=CC=C1)CNC2=CC=C(C=C2)F)CN3,C1134AC2E3171970_781D0B59453C77B9_6035_DP,8.501801,00000000100100000000000000000000000000000010000000000000000000000000000000000000001000110011010101001000100101010101101001000111110111110110001111010011110111111111110,UIQAPAGERDPBSV-IEBWSBKVSA-N
+COC1=C(C=C(C(=C1)C)CCNC(C2=C(CC)C=C(C=C2)[N](=O)=O)=O)OC,0D690F78841D3395_641B8A52D5F765EC_6038_UN,8.501716,00000000000000000000000010000000000000000000000001000000100000010000001110000000001000000001111000001010100010110110111100101111001001011000111111111111111111111111110,VRAMFKYEDRIJMM-UHFFFAOYSA-N
+COCCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2C)SC4=C3CCC(C4)(C)C,D347CD61102929E0_6F2E17D642238681_2201_UN,8.501606,00000000000000000000000000000000000010000000000100000000000000100110000000100000010100101000010010100100010011001001101011000110110010000100010011010110010111001111110,HEFQQLLGJZQXOS-UHFFFAOYSA-N
+CC(C)(OC1=CC2=C(C=C1)NCCCC2)C3COCCN3,0D9A4F67DE7B02B1_0C81343AB1834FA0_6035_UN,8.501531,00000000000000000001000000000000000000000000000000000000010000000010000000100000001000100111000100101100110011011100101011000011110110010110001111010101110011111111110,QJZNBSAYJGOJSE-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2C3CNC2CCC3)C4CCCN4)C5=CC=CC=C5,73B744534F67CFE8_CA28577133B4EBE9_6034_UN,8.501419,00000000000000000001000000000000000000100000000000000000000000100100000000010101101101000011000010001000110000010000101011100100110100000110001011011011010110101111010,XDDGPMUVOCNZLU-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COC2CCOC2)N[C@]34CCC[C@]3(CNC4)F,93450BD6189AA7F1_D1E1212CD2CFD2C7_6041_DP,8.500656,00000000000000000000000000000000000000000010000000000110010000000010000010000001101100110111000010001100110101011000001011000011110111110110001100010011110111110111110,XDKLZYMVQNPPMW-RWZMTBSZSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(CCN)C=CC=C2,FD9A1210AAD51DBC_03459ABDAE0D8A2E_6035_UN,8.500614,00000000000000000000000010000000000000000000000001000000100000010000001100000000001010000000011101001010100001010100001100101111101111010010101111111011110111111111110,VDADFNHITMPKGA-UHFFFAOYSA-N
+NCC1=CC2=C(C=C1)C(=O)C=CN2CC3(N)CCNCC3,0E22F57F2357E57C_09D13B0314AC25F1_6034_UN,8.50026,00000000000000000000000000000000000000000000000000000100000000000110000000010001101011100011000001101100110000011100001011100101110101000110001101011001111110100111110,PIVAAXXLQSVKLP-UHFFFAOYSA-N
+CC2=C1C(=C(C=CC1=CC=N2)F)NCC3CCN(CC(C)C)C3,C3EDB9D59C5A5BEB_80ED8D0943AB4C2E_6041_UN,8.499967,00000000000000000000000000000000000000000010000000000000000000000100000000110000101101110011000010101100010110010001001011100100110001110110011011011111010110101111010,ZRLILQRQIPSKKL-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1)COC(=O)C2=CC(=C[NH]2)[N](=O)=O)C3,A4A3B5CD0D8D5BAF_A9C7860687E9C8F6_6038_DP,8.499801,00000000000000000000000010000000000000000000000001000000100000010100001100000001101100100001001111101110110001010000001111111110111101011110101011111001011111110111110,ZYGDVMJWWBPKDF-UHFFFAOYSA-N
+C1(=CC(=CN=C1)F)NC2=CC=C(CO[Si](C)(C)C)C=C2,F3F218EF22C6D63E_E0631423892DFC4A_7022_UN,8.499632,00000000000000000000100000000010000000000010000000000000000000000100000000100001000000110000010000100010000101001000100001001110000001110100011001001101010111101111110,LWECSIJOAWVXJB-UHFFFAOYSA-N
+N3CC(C)(COCC2=C1C=CC=CC1=C(C=C2)C#N)C3,CEF48594B983FECD_1FDD235AB79B4BDE_6039_DP,8.499557,00000000100100000000000000000000000000000100000000000000000000000010000000000000001000100010000001001100010011001001000001000110100000000110001001000001010101101111110,UMZSJNNWXXVXGL-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2=CCCCC2)NCC#CCN(C)C,A71410B9235C4C61_228052E7703D093D_6041_UN,8.499446,00000000000000000100000000000000000000000000000000100000000000100000000000101000001001100001010000011000000000000001001000100000110001010010001001011101010110101111010,UUTKGKLANYEIMS-UHFFFAOYSA-N
+C(C1=CC2=C(C=C1)OCO2)=CC3=CN=C(N(CCOC)C)C=C3,660DF8F503497D5D_53B5932556CDBE29_7019_UN,8.499439,00000000000000000000000000001000000000100000000000000000010000000100000010000100000101100000010110111100010001010101101011110110000011010110001011111100110111111111110,BFFYKUZFQUYMTD-UHFFFAOYSA-N
+O(C1CCC(C1)OCC2=CC=CC=C2)C[C@@H]3CNCC(O3)(C)C,84A949D785D8ED3D_6ACAA5CA346A7B33_6039_DP,8.4988985,00000000000000000000000000000000000000000000000000000000010000000010000010100000001000100110000111101000000011001001001011000011110010000110000101110101110101111111110,DMPVTVORUIFMGD-ABHNRTSZSA-N
+N1CCOC[C@H]1CC2=CC=C(C=C2)OCC3=CC=CC(=C3C#N)F,A1851CBD59F2C4A9_828FD35E0CFBE8C1_6039_DP,8.498693,00000000000000000000000000000000000000000110000000000000010000000000000000000000001000110001000100101000100101010100001011000111110010100110001111010011110111110111110,GBJBNEQQLSWTIL-MRXNPFEDSA-N
+COC1=CC3=C(C(=C1)NCCC2=CC=C([S](C)(=O)=O)C=C2)N=CC=C3,61BE71DEA06210F7_4359C2D99B58B357_6041_UN,8.498236,00000000000000000000000000000000000000000000000000010001001111001101000001000001011000001000010001101110110000011100001001001111001001011100001101111101110111111111110,XTUGIHLLTPVQFH-UHFFFAOYSA-N
+NC3(COC2=C([N]1C=C(C(C)(C)C)C=N1)C=CC=C2)CC(F)(F)C3,AC37F4900E8B5375_422E3244DF5C6E42_6035_DP,8.498166,00000000000100000000000000000000000000000010000000001000000000100110000000110000100110010001001111000000100101011100000011101111100001110100011110001111110111101111110,KQUCHUTXCKYQAT-UHFFFAOYSA-N
+NC1=NC=C(N1CC2(C(C)(C)C)CNCC2)C3=CC=C(C=C3)F,7A1648A94CE34C55_7A908518620669D5_6034_UN,8.49752,00000000000000000000000001000000000000000010000000000000000000100110000000110101101111110011000010001000101110011000101011100100110101110110011010011111010110101111010,HZAJLWDHPAHTME-UHFFFAOYSA-N
+NC1=NC=C(N1CC2(C(C)(C)C)CNCC2)C3=CC=C(C=C3)Br,0B5809A0C6066C14_13EDCE57704CD682_6034_UN,8.497515,00000000000000000000000001000000000000000000001000000000000000100110000000110101101111110011000010001000101110011000101011100100110101110110011010011111010110101111010,MNNGMAFAKUHUSR-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C[S](=O)(=O)CC#N)NCCC2=CCC3=C2C=C(OC)C=C3,C6BB302E6A5DD75E_699B6F5147CA24C9_6041_UN,8.497435,00000000000000000000000000000000000000000100000000110001001011000001000001001000001000101000010011011110110000011100001000001111111011011010001111111001110111111111110,UEWZMKPEKGBRDQ-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)OCCO2)CN(C)C3CCNCC3,8A76D658B60D90C0_6ABE53ACCA7218C7_6035_UN,8.497417,00000000000000000000000000000000000000000000000000000000010000000000000010000000101001100101010100101100110011010101101011100011110011000110001111111101110111111111110,ZKADEFDINWKMLG-UHFFFAOYSA-N
+C1(=CC(=CC=C1)N2CCC[S]2(=O)=O)NC3=C(COC)C=C(C=C3)F,B6BC97D5D14866EE_EBD813FDC199E4C9_6041_UN,8.49736,00000000000000000000000000000000110010000010000000010001001011100001000001010000110100111010011011001010001101011001011011101111011011111110001111111011010111111111110,DCFQFYUTCVHRQY-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=CC(=C1)NCC2=C(OC)C=CC3=C2C=CC=C3)C#N,FFEB9453C6AB3DA6_C04FFCFF7DCFC6BA_6041_UN,8.497126,00000000000000000000000010000000000000000100000001000000100000010100001100000001101000000000011001101110010010000100000101101111001001010100001111101011110111111111110,KRMNVVQDLASMHM-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)N[S](C2=C(C)C=C(C(=C2)CCl)Cl)(=O)=O)C,5FF606BD4AA4F46B_89F5DBF087A8CC0E_6029_UN,8.496829,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000011000011000000011001100001100010000001111001001111000010111101111110111111111110,DSFXFXNOXRNEPK-UHFFFAOYSA-N
+N(C1=CC(=CC(=C1)F)N2CCOCC2)[S](C3=CC=CC4=C3[N](C)C=C4)(=O)=O,8A658913C1AA7B47_17ABD2EE74FA4150_6028_UN,8.496626,00000000000000000000000000000000110000000010000000010001011111101101010001010000110101111000011111101110011101011000011011101100111011111110001001111001010011111111110,WDYZFXBPWZXEBJ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2C[C@@H]3C[C@@H](C)OCC3)C4=CCNCC4,F396844FE573AE4F_9B5AA52216208AA8_6034_UN,8.496593,00000000000000000000000000000000000000000010000000100000010000100100000000011000001101110001000010111100110111010001101011100100110010100110001001011001110111101111110,FMFUNMNNUGFGAY-CABCVRRESA-N
+CCC1=C(C=C(C(=C1)F)[N](=O)=O)NC2=CON=C2C3CCNCC3,56AC2918F39B615D_DA9BF8F4FD22870E_6041_DP,8.4959,00000000000000000000000010000000000000000010000001000000110000110100001100000001101100110011001111101010100100010010001111101100111101110110001011111011010110111111110,DFXJYTNATGZGFG-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NCC4NC3COCC3C4,563DF85F781BC03C_505FAA4E75C09BD2_6041_DP,8.49588,00000000000000000000000000000000000000000100000000000010010000000000000000010001101101100011000111101100110001010000001011100000110111010110001011011011010111110111110,RGMFOMNFQVTCBK-UHFFFAOYSA-N
+N2C[C@@H]1CN(C[C@]1(C)C2)C3=NC(=NC=C3)NC[C@@H]4C[C@H](OC)CN4CC5=CC=CC=C5,5801E1D43A0EC63F_42FED409C5D93EC2_6041_DP,8.495786,00000000000000000000000001000000000000100000000000000000000000100110000000010101101101100011010111101100011010011001100011100111110111010110001101001111110111101111110,LQGYQUHPVSNZON-XBJMDHIQSA-N
+COCOC1=CC(=CC(=C1)F)NC2=CC=CC(=C2)N(C)C,C5DC0A1E82112217_0AF19DFD4A0C9D2D_6041_UN,8.495525,00000000000000000000000000001000000000000010000000000000000000000000000000100000100001110000010001000000000101000101000000110111000001110000011101001101110111111111110,HUVIXUVUNIAZAO-UHFFFAOYSA-N
+COC(=O)C1=C(C(=CC=C1)[N](=O)=O)NC3=CC2=C(CCNC2)C=C3,3C4F6D433EDA049C_06EE3FDBB70D3F92_6041_DP,8.495259,00000000000000000000000010000000000000000000000001000000100000010000001100000001001000100001011001101110110000010000001101111110111101011110101011111011011011111111110,ISWJVDHEMYEGPI-UHFFFAOYSA-N
+O(CC1=C(C=CN=C1)Cl)C2=C(C=C(CN(C)C)C=C2)Cl,0DEF8A3A787D238D_F257542BA764F342_6035_UN,8.495098,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001110000010001101001000101000101000001100111000000100110001111001110110101101111110,FOFMLMRKNOBXLC-UHFFFAOYSA-N
+O(CC2CNC1=C(C=CC=C1F)C2)C3=CC(=C(C=C3)C(F)(F)F)C#N,981BD58C38312F00_37A5E0FF46A7FB70_6035_UN,8.495044,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000010010000001101100011101001100000001000111100000110110001111000011110111100111110,ULLVRIYQSHWVKZ-UHFFFAOYSA-N
+NCC(F)(COC2=C1CNCCC1=C(C=C2)F)C3=CC=CC=C3,C281EA67F89F5C3E_3AD0AC4254A8D60E_6035_UN,8.495012,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110011000001101100110101011100001001000111110100100110001111010001110101100111110,CEKVIUSZDRARLK-UHFFFAOYSA-N
+FC2=C1C=CC=NC1=C(C=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,CA291D0F833FDC59_36500B59360626F5_6041_UN,8.494874,00000000000000000000000001000000000000100010000000000000000000100100000000110101101101110011010010101100011100010000000011100100110001110110001001001111010110101111010,GNQSHOTYWMYJIZ-KBPBESRZSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)NC4=CC3=C(OCCNC3)C(=C4)Br,79C0A7A6287CAF12_727701317EC81C69_6026_DP,8.494692,00000000000000000001000000000000110000000000001000010001011111101001010001000000011000111001001101001110111101011100011011001100111111111110001011111001110011110111110,UBDSRNIUMNMORK-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2C3CCNCC3)CC(CN)CC4=COC=C4,D990154CF0BBE980_7F58A901FB9BD69D_6034_UN,8.494503,00000000000000000000000000000000000000000000000000000000010000100100000000010000101111100011010010101100110000010100001011100111110100000110001101011001110111111111110,WRWSWEWWPYOXIH-UHFFFAOYSA-N
+CCN4CCC1=C(C=C(C=C1)N[C@H]2[C@H](CCNC2)C3=CC(=C(C=C3)F)F)C4C,266B12AB780AF763_4D56C576AE4BD147_6041_DP,8.494098,00000000000000000000000000000000000000000010000000000010000000100000000000010001001001110011000000101100110110010010101011100100110101110110001011011111010110101111010,QBRKRQLEBVSTJF-CAKTUZRTSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3CC4=NC=C(C(=C4)Cl)Br,4D9544FAE73865EB_F9F473C1BD93B824_6034_UN,8.493934,00000000000000000000000000000000000000000000001000000000000000100100000000010001001101010011000010101101110100010000001011100100110000100110001011011011010110100111010,HBOIMIWYUQGAQX-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NC2=C(OCCOC)C=CC=C2,4BBB2E9AC67A0170_2B3857BAF2E5BA51_6041_UN,8.493603,00000000000000000000000010000000000000100000000001000000100000010100001110000101000000100001011101100010000001000101101101101111001011010110101111111111110111111111110,DBKHIJKMYGIMKO-UHFFFAOYSA-N
+C[C@@H](N3CCC(F)(COC2=CC1=C(C(=C[N]1C)C)C=C2)C3)C4=CC=CC=C4,A382109886C1B4BE_7B3502FCC045A6FA_6035_UN,8.493595,00000000000000000000000000000000000000000010000000000000000000000110000000010000000101110000010011001100010111011100101011100111110000100110011101011100110111101111110,ZVWNTJUWECWJTO-FKSKYRLFSA-N
+C[S](=O)(=O)CC1=C(C=CC=C1)NC3=CC2=C(C=C(OCC)C=C2)C=C3,0886F45A4A23D726_FA35F690B23D3B4A_6041_UN,8.49341,00000000000000000000000000000000000000000000000000010001001011000001000001000000000000101010010000000110010001001111000000001111001011011010000111101111110111111111110,KRGQIJHVGRCADE-UHFFFAOYSA-N
+CSCC(C)(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)CN,E3606526EB0E6FCF_824086BFF332A104_6035_UN,8.492904,00000000000000000000000000000000000000000000000000000000000000000010000000010001001011111011010100101001100110011101001011100011110110100110001111011111110101101111110,XLSRPRXIJALVSG-UHFFFAOYSA-N
+O(C(CN1CCNCC1)C(F)(F)F)C2=CC=CC(=C2)N(CC)CC,9CE5D5B3F9A22DD8_464732C1CCD7D572_6035_UN,8.492846,00000000000000000000000000000000000000000010000000000000000000000000000000010001001001100001000101101000101100011110101011100011110011110110001101011101110111101111110,HMOJAWZNTRFBDU-UHFFFAOYSA-N
+C(C1=CC2=C(C=C1)COCC2)=CC3=C(N(C)C)C=CC(=C3)C#N,2BAD687F42381FB1_6A42F999F2C78DFF_7019_UN,8.492822,00000000000000000000000000000000000000000100000000000000010000000000000000100000000001100000010000110100010001000000001000100100110011010110001011011110010011101111110,GCRIGTJIQGTXFN-UHFFFAOYSA-N
+O(C[C@H]2N[C@H]1CCC[C@H]1C2)C3=C(C=C(C=C3)C4=CC=CC=C4)Cl,96C260A61AC997E4_D5D9CFD26A5DD668_6035_UN,8.492814,00000000000000000000000000000000000000000000000000000000000000100000000000000000000100010011000110000101110101010100001001000111110000100100000111010011110111100111110,YTWGHBCKGZNAQE-LNLFQRSKSA-N
+NCCC(F)(F)COC1=CC=C(C=C1)C2=CCNCC2,0D5DA3554BAA0444_E85E9A5FBD7BC9FA_6035_UN,8.492702,00000000000000000000000000000000000000000010000000100000000000100000000000001000001010100001000000111000100101011100001001000011110100100110001101010001110101100111110,MYPRFCCTAOOEDA-UHFFFAOYSA-N
+COCCOC1CN(CC1)[S](C2=CC3=C(C=C2)CC4=C3C=CC=C4)(=O)=O,99490AD791DB61F1_51BA984652F138FB_6029_UN,8.492232,00000000000000000000000000000000110000000000000000010001001111001001000011010000010100101000011111001110011001011001111001101111111010001110100111111000110111111111110,RRDSGCVLGKSFGT-UHFFFAOYSA-N
+CN(C)C[C@H]2C[C@@H](OC1=CC(=C(C=C1)OC(F)(F)F)Br)CN2,EB07B7FA34C08C9F_D38653D3C292C630_6035_UN,8.492023,00000000000000000000000000000000000000000010001000000000000000000000000000100001001101110011010111001000101110011101000001100011110010100110001110001111110111111111110,DFFVISGGTXSQFI-MWLCHTKSSA-N
+CC3(C)C(OC1=CC(=NC2=C1C=CC=C2F)C)[C@@H]4CCN[C@H]34,B5826AFD29950C80_8BD52D676CA8B4F2_6035_UN,8.491756,00000000000100000001000000000000000000000010000000000000000000000110000000100000001100010011000011101100110110011100001011000111000000100100011101010111110011101111110,IDHDZGMSMKAHLI-KOEKDOOYSA-N
+O([C@@H]1CCOC[C@@H]1C#N)C2=C(C=CC=C2)CC3CCNCC3,BD3B784A8A7804DE_18EB7F8B9434FBD3_6035_UN,8.491717,00000000000000000000000000000000000000000100000000000000010000000000000000000000001000100101000001101000100001010100001011000011110010000110001111010011110101110111110,WAXSSQLSWVMSAZ-FUHWJXTLSA-N
+O(C(CCCC=C)C1CC1)CC3=CC=C(N2CCC(OC)CC2)C=C3,CE40EB69D31877EA_5A2884ED283298E2_6039_UN,8.491201,00000000000000000000001000000000001000000000000000000000000000100000000000010000000001100000010001111000000011010000101001100011110011010110000101011000110111111111110,FYOLVMCLFXXFJP-UHFFFAOYSA-N
+CC1(C)CCCC2=C1N=C(C(=C2)C#N)NCC3=C(C(OC)OC)C=CC=C3,82C6B5FEB5523E55_E73C8D4D1BF1C93C_6041_UN,8.490919,00000000000000000000000000000000000000100100000000000000000000000110000000100100101000000000010000101100010010001001101001010110100001010100011011010111010111111111110,JTEIWTVTBGQLSD-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC=CC3=C2NCC(C)C3,F9188AA9A9C99E0A_5E55FE77CDD6371F_6035_UN,8.490649,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100011010101101100110010011101001011100011110110010110011111011101110111101111110,DBXKWBMLYSJMLK-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C(=C2)C)CCC3(N)CCNCC3,9568D12D48C4C7C8_28742685841D7A45_6034_UN,8.490608,00000000000000000000000000000000000000000000000000000100000000000110000000010000101111100011010010101100110010011100101011100111110101000110001111011111110111101111110,SQSJVLPRYXVDSV-UHFFFAOYSA-N
+O=[N](=O)C1=C[NH]C2=C1C=C(C=N2)NCCC3=CSC(=N3)N(C)C,238809354133D277_6A16E784D7E79B36_6041_UN,8.490599,00000000000000000000000010000000000010100000000101000000100000010100001100100101111101101000011011101110111000010000001111101100001101010100001000011101010110111111110,TXUHKWKSEGCRIQ-UHFFFAOYSA-N
+NC[C@@H](OC2=C1CCCC1=CC=C2)CN3CCOCC3,3463CD6D7DB85708_00D0CC84516699C7_6035_UN,8.490454,00000000000000000000000000000000000000000000000000000000010000000000000000010000101011100010000110101100010001010100001011100011110010000110001111011001110101110111110,MPFPQKNBGKCSIG-CQSZACIVSA-N
+CC1(C)CNC1COC2=CC=C(C=C2)CCC3CCNCC3,5BAD0C7B6F92174A_945FF160CF3BFC83_6035_UN,8.490144,00000000100100000000000000000000000000000000000000000000000000000010000000100000001000100011000100101000100001011101101011000011110100000110001101010111110111101111110,PYDDFPZYYOCEJB-UHFFFAOYSA-N
+BrC1=NC=C(N1CC3CNC2=C(C=CC=C2)C3)C4CCCC4,246293FC273C902A_79F7095A2FFC7E50_6034_UN,8.489961,00000000000000000000000000000000000000000000001000000000000000100100000000010101101101010010000010101100011100000000001011100100110000110110001011011011010110100111010,UWBPSYGKJLAIIQ-UHFFFAOYSA-N
+N2CCC1(CC1)CC2COC3=C(C#C[Si](C)(C)C)C=CC=C3,4FD388FD31B8FA8B_DF937EB3629D0FD0_6035_DP,8.489858,00000000000000000100101000000010000000000000000000000000000000000010000000100000001000100001010100101000110001011100001001000011110000000110010111011111110111101111110,BWANRSNZCMUGPO-UHFFFAOYSA-N
+O(C1(CCNCC1)CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)Cl,CD69089EEB6E4CE0_5B5F211F1BEF2165_6035_UN,8.489826,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000110001000001101001100100011100001001000111110010100110001111010011110101100111110,BTEQHMNXJCDMOR-UHFFFAOYSA-N
+O(C1(CCNCC1)CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)F,4304F7CA8B1688A8_BD4B234106A36AFD_6035_UN,8.489817,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000110001000001101000100100011100001001000111110010100110001111010011110101100111110,GHSKDRSGOLNSND-UHFFFAOYSA-N
+COCC(OCC1=C(OC)C=CC=N1)CN2CCSC(C)(C)C2,E737BAF3D7F28DE9_565CDDBD0323C804_6039_UN,8.489342,00000000000000000000000000000000000010000000000000000000000000000110000010110000010001101100010101101000000011011101101011100011110010000110011111111110110111111111110,FYJGSUMLPMSOOZ-UHFFFAOYSA-N
+CC2=C1N(C3=C(C(C1=CC(=C2)Br)=O)CCC3)C[C@H]4[C@@H](CNC4)C5=CC=CC=C5,620C872B86C27D9A_3BC946F54969E5F3_6034_UN,8.4893265,00000000000000000000000000000000000000000000001000000000000000100100000000010000101101110011000011101100010110010100001011100101110000100110001111011011111110101111110,RUYJKRHLMPKCNB-UWJYYQICSA-N
+COC(=O)C2=C1C=C[NH]C1=CC(=C2)NC3=CC=CC(=C3)N4CCN(C)C4=O,80F7F58EBA2A8F2D_7857539C019CB081_6041_UN,8.48898,00000000000000000000000000000000000001000000000000000100000000100100000000010101100101100000010010001100011010110001111011110111000101011110001101111111011011111111110,PRCGMUQMHOMVCT-UHFFFAOYSA-N
+NCC1(CC1)C4(OC2=CC3=C(C=C2)[NH]C=C3)CCOCC4,67E5A02606064CBE_E0B695170EB8F6F6_6035_UN,8.488959,00000000000000000000001000000000000000000000000000000000010000100110000000000000001110100111000011101100010001001100001011000111110110000110001101010001110111110111110,QFBMXZIJVUBMKB-UHFFFAOYSA-N
+BrC2=C1N(C=C(C1=CC=C2)CC#N)CC(CN)C3CC3,2B80F0D4AAE1825E_E5D69A9DCAC66FC3_6034_UN,8.488721,00000000000000000000001000000000000000000100001000000000000000000100000000010000101111010011000010001100010100010000000001100100110000100110001000011001010110100111010,ZNXHLOHUADAESL-UHFFFAOYSA-N
+ClC2=C1N(C=C(C1=CC=C2)CC#N)CC(CN)C3CC3,FB9C747739B0F3E3_D09A7368FD737BB9_6034_UN,8.488715,00000000000000000000001000000000000000000100000000000000000000000100000000010000101111010011000010001101010100010000000001100100110000100110001000011001010110100111010,FTTIXUMYPUWJIC-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)CC#N)CC3(CCNCC3)C(F)(F)F,8645BB596D721061_E261AF2C66E09C6F_6034_UN,8.488646,00000000000000000000000000000000000000000110000000000000000000000110000000010000001101100001000010101100111100011010001011100100110000100110001001011001010110101111010,VLDWUFKBAXFNAS-UHFFFAOYSA-N
+FC1=C(C=CC=C1NC2=C(C3=C(C=C2)N=CC=C3)C#N)N=[N]#N,9E552C7E7D764166_BBC6A5790A590F10_6041_UN,8.488392,00000000000000000000000000000000000000000110000001001000000000000100001000000100100000010000001000100100010100000000000101001100001001110100001011000011000010100111010,WEIRBIZWNAAVFL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CC3=C2C=CC=C3)NCC4([S](N(C)C)(=O)=O)CC4,CB98957CE8B1D203_29F654BECA8D7737_6041_UN,8.488229,00000000000000000000001000000000110000000000000000010001001011001011000001100000111000101011011011001110011010001000010000101100011001011000001011011101010110111111110,YRAQAMBRBBPSPU-UHFFFAOYSA-N
+CC1(C[C@H](NC1)COC2=CC(=CC=C2)C3CCOCC3)C,8DCC6C76FFCD0CC5_1A32D018F1A35C0B_6035_UN,8.488137,00000000000000000000000000000000000000000000000000000000010000100010000000100000001100100011000110101000100011011101001011000011110010000110000101010101110111111111110,KEJXWLQXVBEHSD-INIZCTEOSA-N
+COCC4(COC1=CC(=CC=C1)CC2CNCCC2)CC3OC3C4,B92E65A949DA2219_C8070D735200A31A_6035_UN,8.487149,00000000000000001000001000000000000000000000000000000000010000000010000000000000001000100111010010101000110011011101001011000011110010000110000101110001110101111111110,OEVYVLCQDQIDIT-UHFFFAOYSA-N
+N1CC(OCCCOCC=C)(C1)C2=CC(=C(C=C2)F)F,B989ABD47240CBCD_F08DE39E5F6131A3_6039_DP,8.486937,00000000100100000000000000000000001000000010000000000000000000100010000000000000001000110111000100011000000101001000001001000011110010100110000110010011110101110111110,WKDBQQVDUKWMBW-UHFFFAOYSA-N
+C1(=NC=C(C=C1)C2(CC2)C#N)NC3=C(C(=CC=C3)F)C#N,D9A505E2F9590C8C_E4705BD5EC89943E_6041_UN,8.486637,00000000000000000000001000000000000000100110000000000000000000100110000000000100100000010000000000100000000100001000000001000100000001110100001011010011000010100111010,SZFKZUXPAXKSSV-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)[S](=O)(=O)NC3=CC(=C(C=C3)OC4=NC=CS4)Cl,A63A258634EACC67_E4E2DAC38A336D3A_6026_UN,8.486591,00000000000000000000000000000000110010000000000100010001001111001101010001100000010101111000011010000111011100101100010011101111001001111100001111101111100011111111110,OQQVFATVMUOEKH-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CCCCC2)C#N)NCC(C3CCCN3)(C)C,DDD0899B29559C85_B01AE77B965F75C5_6041_DP,8.486507,00000000000000000000000000000000000000000100000000000100000000100010000000100000101100000011000010001000100010011001101001000000110101010110001011010111010110101111010,DHNSUBDLBSEIJP-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC2=CC=C(C=C2)C3=NC=C[NH]3,196E3B947AF1CF45_9F2662FD3B5947AA_6035_UN,8.486426,00000000000000000000000000000000000000100000000000000000000000100110000000100101101101100011010110101000100010011101001011100111110110000110001101011101110111101111110,HZDCXUXUMZTXRG-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)NCC2)CC3=C(SC)C=CC=C3,034629E1955FEF79_CBE39B5DD0896154_6031_UN,8.486345,00000000000000000000000000000000000000000000000000000000000100001000000000000000011100001011010010001100110011010000001001010110000000010110000011010011011111111111110,UJUAWNUJTHDYJH-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NC2=CC(=C([S](C)(=O)=O)C=C2)Cl)CN(C)C,255B32911AEB7E49_B8D0FA7C7447367F_7022_UN,8.486153,00000000000000000000000000000000000000000000000000010001001111001001000001100000110001111010010000001011000100001101000000101111001001111000011111101111110111111111110,ANCVNQLRXPZRPO-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NC2=CC(=C([S](C)(=O)=O)C=C2)F)CN(C)C,1F29AB92B920BD31_DE7642DF5F16E29E_7022_UN,8.486148,00000000000000000000000000000000000000000010000000010001001111001001000001100000110001111010010000001010000100001101000000101111001001111000011111101111110111111111110,ZGNJZCSEBQFDSE-UHFFFAOYSA-N
+COC(=O)C1=C(C=CC(=C1)[N](=O)=O)NC3=CC2=C(CCCNC2)C=C3,C0E7C29C51248A4B_E3E51FC3F6873D9E_6041_DP,8.485899,00000000000000000001000010000000000000000000000001000000100000010000001100000000001000100011011001001110110000010000001101111110111101011110101011111011011011111111110,AUXPWQLNVIPZSY-UHFFFAOYSA-N
+N(CC1=CSC2=C1C=CC=C2)[S](C3=C(CBr)C=CC(=C3)C#N)(=O)=O,41ABECA66B9F8146_0EEBC0423C70AEB5_6029_UN,8.485751,00000000000000000000000000000000110010000100001000010001001111001001010001000000011100001001001010001110011000001000010000001100001000101110001011001011010110110111110,GBXPETSOLJJSSF-UHFFFAOYSA-N
+O(CC1NCC=CC1)C2=C(C=C(C=C2)C(F)(F)F)C#N,B45EBBEB7B708241_4C9FF0176BE136D9_6035_UN,8.485437,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000000001000101111000101101011100000001000011010000100110001111000011110111100111110,NLNGUKZFTMCFPY-UHFFFAOYSA-N
+O(C(=O)CC1=CN=C(C=C1)C#N)CC2=C(C=CC(=C2)CN)F,0CD1C2E7CE89C458_51D5B1DBC7E88F78_6031_UN,8.485383,00000000000000000000000000000000000000000110000000000000000000000100000000000001001010010000000000101000000101000000000001010110110010100110001011000011011111110111110,JFJIWCZOXSGFHN-UHFFFAOYSA-N
+CSC1=CC=C(C=C1)[S](=O)(=O)NC2=C(OCCOC)C=C(C=C2)C,9418E8BFAE79B939_8774C60596AF2CCF_6026_UN,8.485362,00000000000000000000000000000000110000000000000000010001001111001001010011000000010000101001011100000010001001001101111000001111001011011010110111111111110111111111110,PWZNSEUGEQVNQT-UHFFFAOYSA-N
+NCCC1(CCNCC1)COC2=C(C(C)(C)C)C=C(C=C2)Br,D03C5E082E365863_A35336B51B272290_6035_UN,8.485352,00000000000000000000000000000000000000000000001000000000000000000010000000100000001010110001000000101000100101011100001001000011110100100110011111010111110101101111110,MPLYNDBPWPYYLB-UHFFFAOYSA-N
+NCCC1(CCNCC1)COC2=C(C(C)(C)C)C=C(C=C2)I,F926CAA4096953C9_A81D8921D280A2BA_6035_UN,8.485352,00000000000000000000000000010000000000000000000000000000000000000010000000100000001010110001000000101000100101011100001001000011110100100110011111010111110101101111110,PORXKQXZULWYLU-UHFFFAOYSA-N
+CC1=C(C(C2=C(N1)C=CC(=C2)C3=CC=C(C=C3)CN4CCOCC4)=O)C,82D39292F1D2D4D3_A63374F684F7C99B_6004_UN,8.484943,00000000000000000000000000000000000000000000000000000000010000100100000000010000000001100000000101101100010001010100001011100101110010000110001111011111111111111111110,GTDBESJICGPFPJ-UHFFFAOYSA-N
+NCC1(CC1)OC2=C(C3=C(C=C2)C=CC=C3)CN4CCOCC4,5D6B02D793262520_A8C34D5A4931C882_6035_UN,8.484731,00000000000000000000001000000000000000000000000000000000010000000010000000010000001011100011000101101100010001011100001011100111110010000110001111011011110101110111110,PCZGOWBUCFCZGK-UHFFFAOYSA-N
+N4CCC1(CC1(COCC2=CC=C(C=C2)CN3CCOCC3)C#N)CC4,9BB867D4DAA8B37E_387AC9551A8B8646_6039_DP,8.484665,00000000000000000000001000000000000000000100000000000000010000000010000000010000001001100001000101101000110001011000001011100010110010000110001001011001010101110111110,CPUQZSHOOPTEKM-UHFFFAOYSA-N
+CCOC(OCC)C1=C[N](N=N1)C2=CC(=C(C=C2)F)NCC5=CC=C(C3=CC4=C(C=C3)OC(C)C4)C=C5,592DE41CD8B4B82F_1703799CDF015945_6041_UN,8.484589,00000000000000000000000000000000000000000010000000001000010000100100001000010101101100010000001111001100010101000111000011111110101011110110011011101111110111111111110,GJWZVNYWOQCYGO-UHFFFAOYSA-N
+CCC1=CC2=C(C=C1)OCC[C@H]2OCCC3(CCNCC3)C#N,EED9A700FF7E05D4_E27CD0FAAB2B8564_6039_DP,8.484587,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100101000000101100110001011110001011000011110010000110001111010001110101111111110,ZOEWWOCWWNVQJU-GOSISDBHSA-N
+NC3(COC1=CC=C(C=C1)C2NCCNC2)CCC(F)(F)CC3,EB674646A0A29A41_B9449FB26FD62DAB_6035_UN,8.484273,00000000000000000000000000000000000000000010000000000010000000100010000000000001001010110011000100101000100101011100001011000011110101100110001101010001110111100111110,HGOSKHLKHLVLTA-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2N=C=O)NCCCCC3=CC=C(C=C3)[N](=O)=O,3085082E63076BCD_9C4193B049CAD02F_6041_UN,8.484243,00000000000000000000000010000000000000000000000001000000100000010100001100000011101100000011001010001110110000110000011101101100011101011100001001111001011110110111110,QGRINNMGEPKPRK-UHFFFAOYSA-N
+CC(C)(OC1=C2C(=C(C)C=C1)CCCN2)C3COCCN3,A41ABE6D3F8F4B92_B977992C5EADF569_6035_UN,8.484177,00000000000000000000000000000000000000000000000000000000010000000010000000100000001000100111000100101100110011011100101011000011110110010110011111010101110011111111110,YXDRVGNHMXHOBJ-UHFFFAOYSA-N
+CC1([C@@H](C[C@@H]1OC2=C(C=CC(=C2)C3CNCCC3)F)CN)C,EB68A9A66D4452D9_302173CDF5710E60_6035_UN,8.484129,00000000000100000000000000000000000000000010000000000000000000100010000000100000001010110011000000101000100100011100101001000011110110100110001111010111110101101111110,XWKQLDFYHSIERT-HUUYTVAOSA-N
+N(CCC2=C1C=C[NH]C1=CC=C2)C(=O)C3=CC=C(S3)[N](=O)=O,C11D62DDEA7A132A_81EB06CB51D24FA0_6038_UN,8.484005,00000000000000000000000010000000000010000000000101000000100000010100001100000000011100001001101010001110110000110000011111101100001101011100001000111001011110110111110,KWDNYSXDLZDCMB-UHFFFAOYSA-N
+C1(=CSC2=C1C=CC=C2)NC[C@@H]3C[C@@H](CN3CC4=NC=C[N]4C)F,917E536ED15795EC_6B2619433911139A_6041_UN,8.483978,00000000000000000000000000000000000010100010000000000000000000000100000000010101011101111011010010001100010100010000100011100100110001110110001010001011010110101111010,XHXYQNISNFVINJ-KBPBESRZSA-N
+C(CC1=CN(C2=C1C=CC=C2)CC(CN)(F)F)N3CCNCC3,096B863665F95F8E_B87D5D58C3491B7A_6034_UN,8.483965,00000000000000000000000000000000000000000010000000000000000000000100000000010001101111100011000010101100110100011000001011100100110100100110001001011001010110100111010,YZSUSZRHCLBVJD-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)SC#N)N[S](C2=CC(=C(COC)C=C2)F)(=O)=O,0CA75E5506AA6609_07CA3B5A12CDD7D4_6029_UN,8.483933,00000000000000000000000000000000110000000110000100010001001111001001010001000000010000111000011000000010001101001001010000001110001001111000001011101111010111111111110,RFCNNMDQJVEBMZ-UHFFFAOYSA-N
+NC4CCC1=C(C3=C(N1CCOC2CNC2)C=CC(=C3)Cl)C4,8B6674C5B45C4A31_1ED0D90C6CB413FA_6034_UN,8.483933,00000000100100000000000000000000000000000000000000000000000000000100000000010000001111110011000110001101110101010000001011100111110111100110001111011001110111100111110,OCMGVIGEPDMBLJ-UHFFFAOYSA-N
+N3CCC1=C(C=C(C=C1)NC2=CC(=CC(=C2)F)C#N)C3C(=O)O,F3E116B5B8A88FCB_98FFE9A52C750EA0_6041_DP,8.483794,00000000000000000000000000000000000000000110000000000010000000000000000000000000001000010001000100101100110100010000001001010100000101110101001011010001011011110111110,ORIXZDMBIFPTEB-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OC1=CC=CC2=C1N=C[N]2C)CCOCC3,AFFB9D8615E152B5_D1C03AD9871637BD_6035_UN,8.483653,00000000000000000100100000000010000000000000000000000000010000000110000000110101000101100100010111100100010001001100001011100111110010000110011101011100110011111111110,LZSWACQYOKMTLZ-UHFFFAOYSA-N
+COCC1=CC2=C(C=C1)CN(CC2)[S](C3=CC4=C(C=C3)SCCC4)(=O)=O,B9ADA61D7FC2A30A_C65696FD9272B29F_6029_UN,8.483415,00000000000000000000000000000000110010000000000000010001001111001001000001010000010000101000011000101110011001011001011011101110111000001110000011111000010111111111110,RBHFRDSLOQCWIS-UHFFFAOYSA-N
+C1(=CC(=NC=C1)N2CCCC2)NC3=CC=C(CC(OCC)OCC)C=C3,19842EDA6A5419CA_3F138EEA058E73DE_6041_UN,8.48328,00000000000000000000000000000000000000100000000000000000000000100100000000010100100101100000000010101000000011010010001011110110110011010110001001011101010111111111110,INJDWRJUJFEXOI-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC2CCC3(CN2)CCC3,D325466EA7418AFB_60BD8F8EAF00959F_7019_DP,8.482763,00000000000100000000000000000000000000000100000000000000010000000010000000000000001000100011000000111000110001011000001011000000110010000110001001010001010111100101110,JTIUMOGWSIUBHF-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Cl)[N](=O)=O)CC2=CC=CC3=C2CNCC3,C978BE04C037B5C0_F40A7132C3E3D73B_6031_DP,8.482197,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000110001001000101111110101010000001101111110111011111110101011111011011111110111110,BNXXPBYPGWDPSH-UHFFFAOYSA-N
+O(C(=O)CC1=CC(=C(C=C1)Br)[N](=O)=O)CC2=CC=CC3=C2CNCC3,B208213CF704E5D3_8D6EB27E3BC07D3D_6031_DP,8.482173,00000000000000000000000010000000000000000000001001000000100000010000001100000000001000110001001000101110110101010000001101111110111011111110101011111011011111110111110,MKAMZOGPGJJGOZ-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=C[NH]C1=CC=C2)NCC4=CC=C(OC3=C(OC)C=CC=C3)C=C4,E295A94EC329BAE8_317AE46418221CC5_6026_UN,8.482024,00000000000000000000000000000000110000000000000000010001001111001101010011000000011100001000011010001110011000001100010001001111001100001100101111101011110111111111110,VWVBDFYJVOBEGF-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)F)N2CCOCC2)[S](C4=C3C=CC=NC3=C(C=C4)C#N)(=O)=O,6E0AA0E653F522F3_AA43C1897B608756_6029_UN,8.481597,00000000000000000000000000000000110000000110000000010001011111101101010001010000110001111000001100101110011101011000011011101100111011111110001011111011010011110111110,BFSIMNXQQNLEPU-UHFFFAOYSA-N
+CC3(C)CC1=C(C(=CC(=C1)CC#N)NCCN2CCCNCC2)O3,753C360EEDBA147B_CB79A1B8C291DFAE_6041_DP,8.481336,00000000000000000001000000000000000000000100000000000000010000000010000000110001101101100011000110001100110000011101001011100000110111010110001010011101110111101111110,KUXXBPZUFLIZAN-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NC4=CC=C(OC3=CC=C([S](C)(=O)=O)C=C3)C=C4,CCD81ED19E3804B3_035A88169508AF45_6041_UN,8.480729,00000000000000000000000000000000000000000100000000010001001111001101000001000000010000001000010000100110010000001100000001001111001001011100001101101001100011111111110,HAHGIFYGCCGZBO-UHFFFAOYSA-N
+C1(=CC(=NC=C1)CC#N)NC2=CC(=C(C=C2F)C#N)OC,AC3F886BDA5A7331_C3EC4D3FB8D77E18_6041_UN,8.480264,00000000000000000000000000000000000000000110000000000000000000000100000000000000100000010001010001100000000100010100000001000111000001110100001111000011100111101111110,OEUMMWXDXAWCPS-UHFFFAOYSA-N
+N2CCC(CC=CC1=CC=C(CN(C)C)C=C1)(CC2)C#N,345C72346255B444_2703B7111E59735E_7019_DP,8.480222,00000000000000000000000000000000000000000100000000000000000000000010000000100000001001100001010000111000100000011001001001100000110000000110001001011101010100101111010,PFYPVPNMHAXMEU-UHFFFAOYSA-N
+FC1=CC(=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]5CC4=C(C=CC=C4)CN5,303BADA8FBAE4826_31C7BF913582AE4F_6034_UN,8.48022,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101010011000010101100110100010000001011100100110100100110001011011011010110100111010,ZSPBZMDCIFCHBB-VQCQRNETSA-N
+C1(=CC=C(C=C1)CC2CC2)NC3=NC(=NC(=C3)Cl)SC,5D1D5F27B45C488E_410C3E8F42440EAA_7022_UN,8.480193,00000000000000000000001000000000000000100000000100000000000100001100000000000100110000011000010000100001001100000000000011000100010001110100001001010001000110101111010,DNGACXXZHGOHQR-UHFFFAOYSA-N
+O(C2CN(CC1=CC=CC=C1)C2)CC4OCC3(CNC3)C4,06C32E2BB6B1B72C_5156EF04614521CC_6039_DP,8.479826,00000000100100000000000000000000000000000000000000000000010000000010000010010000001101100010000111001000010001001000000011100011110010000110001100001001110101110111110,JBAKMZXNNQHIMH-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=C1C=CC=CC1=CC=C2Br)CCOCC3,73F96CB452771ACF_E106BD2120C59D81_6035_UN,8.479635,00000000000000000000000000000000000000000010001000000000010000000010000000000000001010110101000001101100010101001100001000000111110010100110000111010011110101110111110,DSUZJWIUVMKEBK-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=C1C=CC=CC1=CC=C2Cl)CCOCC3,320588C4CE2E7E39_F24EE388F8126D12_6035_UN,8.479628,00000000000000000000000000000000000000000010000000000000010000000010000000000000001010110101000001101101010101001100001000000111110010100110000111010011110101110111110,OWINZMUFQRSMAY-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=C1C=CC=CC1=CC=C2F)CCOCC3,AFAD490BDB0F5DFB_CB6CB62E9BAFF1BE_6035_UN,8.479627,00000000000000000000000000000000000000000010000000000000010000000010000000000000001010110101000001101100010101001100001000000111110010100110000111010011110101110111110,FRAQBCGBQLRAMG-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCC[N]2C=CC3=C2N=CC=C3,F255BD390E94189F_9D0D4B06062FE644_6041_UN,8.479117,00000000000000000000000010000000000000100000000001000000100000010100001100010101001101000000011111101110110000010100001111101111001001010110001111111011110111111111110,RTBJMTWTTCKTJK-UHFFFAOYSA-N
+N1CC(C1)(C#N)C2=NC=C(C=C2)NCC3=CC=C(COCC)C=C3,7797875EF388C852_BB6DEF6F0AFE4489_6041_DP,8.478511,00000000100100000000000000000000000000000100000000000000000000100110000000000001101000100010000000101000000001001010100011000110000101010110001001000001010111101111110,QZAVZDDTJWKQEW-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NC3CC4(CCC3)CCCCC4,91091FD2B9DC479E_B7E821000B78DDA9_7022_UN,8.47824,00000000000000000000000000000000000000000000000000000000000000000010000000000000000000010011000000000101110100011000001000000100110001110000000001010001000010100111010,AAICAVNJGVPRMK-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCOC2=O)NCC(OCC)(OCC)C3=NC=CC=C3,11AD6A7509018D5D_436B35DBFD7FC5A2_6041_UN,8.478098,00000000000000000000000000000000000000000000000000000000010000000100000000000000101000000001000100101100010011001010001011010111110011010110101111110101111111111111110,IPOQWCQYZUDFNO-UHFFFAOYSA-N
+COCC1(CNC1)OC2=CC3=C(C=C2)OC4=C3CCCC4,152284AB9403D2E9_DAF09E0CCE50690D_6035_UN,8.477203,00000000100100000000000000000000000000000000000000000000010000000010000010000000001100100010010111001100010011001101001011000111110010000110000111110001110101111111110,VAILNUHGSAEBFF-UHFFFAOYSA-N
+NCC(OC1=CC2=C(C=C1)C=CC(=N2)Cl)C3CCOCC3,F57ED3476E92875E_05B6CC38E67C8BDF_6035_UN,8.47708,00000000000000000000000000000000000000000000000000000000010000000100000000000000001010110001000101101101010101000100001011000111110010100110001101010001110111110111110,MDZNESAOJQICDF-UHFFFAOYSA-N
+NCC(OC1=CC2=C(C=C1)C=CC(=N2)F)C3CCOCC3,E4D988E83A299E82_3F11FA70BA47771D_6035_UN,8.477078,00000000000000000000000000000000000000000010000000000000010000000100000000000000001010110001000101101100010101000100001011000111110010100110001101010001110111110111110,VOIJFPXKXAKTSO-UHFFFAOYSA-N
+N3CCC(COC2=CC1=C(C(=C[NH]1)CCN)C=C2)(C3)C(F)(F)F,33CD316EC82B7550_A459C6D07C324117_6035_DP,8.477067,00000000000000000000000000000000000000000010000000000000000000000110000000000000001110100011000011001100111101011100001011000111110100100110001100010001110111100111110,HGCNSCAJTRHGSP-UHFFFAOYSA-N
+FC2=C(C(=C1[NH]C=CC1=C2)F)NC(CC)C3CCCCC3,A67DD86672E8B67D_0408D496B5F68A53_6041_UN,8.476813,00000000000000000000000000000000000000000010000000000100000000000100000000000000100100010011000010000100110110010010001001000100110101110100001011010011000110101111010,KITIDMHIZDYEDZ-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C=CN=C2)NCC3(CC(OCC)C3)N4CCOCC4,0A88509DE5FB869D_85E7ED4F9E4C3D0A_6041_UN,8.476692,00000000000100000000000000000000000000000010000000000000010000100110000000010001101001110011000101101100010111011010001011100111110011110110001111011011110111111111110,YPKMPENFZIMIIK-UHFFFAOYSA-N
+CN(C)C[C@H]2C[C@@H](OC1=C(C=C(CCNC)C=C1)Br)CN2,B127C52FDC4361AD_6B466A8F58CEA541_6035_UN,8.476683,00000000000000000000000000000000000000000000001000000000000000000000000000100001001101110011010111001000100110010101101001100011110110100110011110011111110111101111110,GZZBXMMWRACRCJ-ZIAGYGMSSA-N
+O=[N](=O)C2=C1C=CN=C(C1=CC=C2)NCC3=CC(=C(N(C)C)C=C3)F,C3CFB152171B6319_F54F35EDE6EC619D_6041_UN,8.476627,00000000000000000000000010000000000000100010000001000000100000010100001100100100001001110000011000101110010100000000000101101100001001110100001011001111010110111111110,QUEMXJJHCSLBCT-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCC2)NC4=CC=C(CCN3CCN(C)CC3)C=C4,7C8CF468673403DC_C27FF1884B61B4EF_6041_UN,8.476609,00000000000000000000000000000000000000000000000000000000010000000100000000010001000101100001110010101100010001110101111011100100110011010110001011011001010111101111110,YCUXDJAUBPEXGL-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N2CCC[S]2(=O)=O)NC3=CC=C(C=C3)CCC#N,07A016C2BA0ECD59_E824F579AD78A935_6041_UN,8.476343,00000000000000000000000000000000110010000100000000010001001011100001000001010000010100001000001010001010001000011000011011101101011011011110001111011011010110111111110,DIWZUDPTSAIWKO-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C#N)NC(C2=CC(=C(OCCOC)C=C2)OC)C,94B68591305B9B36_D5D5700ABE58F882_6041_UN,8.4760895,00000000000000000000000000000000000000000100000000000000000000000000000010000000000000100000010000000000000001000101101000000111000011010010011111110111110111111111110,WAXJFAHAPLZZPY-UHFFFAOYSA-N
+COCC1=CC=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)Cl)CSC,A6C5A24FA94F2D8A_3C5FAACF20B54A1E_6026_UN,8.475974,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000111001011000000011001101001001010000001110001001111010000011101111010111111111110,LKVAEIIDFBLLQX-UHFFFAOYSA-N
+FC(F)(F)C1=C(C=CC=C1)OCCCC=CCC2(CCNCC2)C#N,CD8FEA2C1F00875A_F0DB16DE019317B6_7019_DP,8.475503,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000100001000000111000101101011100001001000011110010100110001111010011110101100111110,IPLCJPHDBBPCTC-UHFFFAOYSA-N
+CC[C@@H](OC1=CC(=CC=C1)CN2CCNCC2)C3=CC(=C(C=C3)Cl)Cl,424282251ACD5738_7DFC73CFE0FA7EBC_6035_UN,8.475391,00000000000000000000000000000000000000000000000000000000000000000000000000010001001001110001000000101001100100010110001011100111110010100110001111011011110101101111110,FHGLOHXUENSKOZ-HXUWFJFHSA-N
+CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2NCC3C(OC)COCC3,FD2E6BD910DD7742_1E493AA7A384723F_6041_UN,8.475361,00000000000000000000000000000000000000000000000000000000010000000100000010100000101000100011010001101100010011000100101011000111110011010110011101110111110111111111110,HEJYKDAFLOOYGI-UHFFFAOYSA-N
+CC(C)(C)C1=CC(=C(N=C1)NCC2COCCNC2)C#N,298B96ADC479871F_FDED89457BFE8E09_6041_DP,8.474864,00000000000000000001000000000000000000100100000000000100010000000110000000100100101000100011000101101000100001011000001011000000110111010110011010010111010111101111110,SUEVCMXKHBBYLI-UHFFFAOYSA-N
+COC1=CC(=CN=C1)COCC2=CC(=C(N(C)C)C=C2)C,47443E2963DFE608_91FFDAD033F61B46_6039_UN,8.474793,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010101100000000011000100000001100111000001010110011111001110110111111111110,AVEQBZTTZWGCKD-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2C3(C2(F)F)CC3,3F148CCDAC74B82B_E6AB82D33E2C5100_7022_UN,8.474757,00000000000000000000001000001000000000000010000000000000000000000010000000100000001000110001010100001000010101001101000000010011110001110010010110010111110111111111110,FOUQPEMJRVPHJF-UHFFFAOYSA-N
+CCC(N)(CC)CCOC2=C1CNCCC1=C(C=C2)F,2A366EA64F8D6BC2_C4DC39EA4D7AE079_6035_UN,8.4747305,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110011000001101100110111011110101001000011110110100110001111010101110111101111110,HCNSTDJVXQKUAT-UHFFFAOYSA-N
+COCC4(COC1=C(C=CC=C1)C2=NCCN2)CC3OC3C4,0A70BE001AE6D15F_7873C64C4311BDCE_6035_UN,8.4746475,00000000000000001000001000000000000000100000000000000000010000100010000000000111001100100111010011101000110011011101001111000011110010000110001111110011110111111111110,XOJVESAWAFXOBN-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)[N](=O)=O)NC3=C(OC2=CC=C(OC)C=C2)N=CC=C3)C,9ABC9EAAA29FAB10_B9DF8E016E123847_6041_UN,8.473108,00000000000000000000000010000000000000000000000001000000100000010100001100000001000000000000111101100010000000100100010101101111001001010100111111101111100011111111110,CPRSRYVMXYRMSS-UHFFFAOYSA-N
+CC(OC1=C(C)C=C2C(=C1)CCNC2)CN(C)C3CCNCC3,49C190AF9D88EF69_C0BB3BC07506095E_6035_UN,8.473062,00000000000000000000000000000000000000000000000000000000000000000000000000000000101001100001010100101100110010010101101011100011110111000110011111011111110111101111110,HBWQDLCSKCIHDP-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3C[C@H](CC)NCC4=CC=CC=C4,2289F5AA4A7205D0_104CA2674F75739E_6034_UN,8.472817,00000000000000000000000000000000000000000000000000000000000000100100000000010001001101000011000010101100110010010010101011100100110100000110001011011011010110101111010,QYEJATCLNVRCLK-HMTLIYDFSA-N
+CCO[C@@H]1CCC[C@H]1OC2=C(C=C(C=C2)CN3CCNCC3)Cl,CEDC8B06B45157A9_D582C70F12EA728C_6035_UN,8.472716,00000000000000000000000000000000000000000000000000000000000000000000000010010001001001110001000010101001100111010110001011100011110010100110001111011011110101111111110,DASIBAIJTWFOPV-QZTJIDSGSA-N
+COC1=CC(=C(C=C1)OC2=C(C=CC=C2)C3CC3(F)F)CN(C)C,07FA9923769BDA7F_FD4B3BB0CCA09EA6_7022_UN,8.472686,00000000000000000000001000000000000000000010000000000000000000100000000000100000000001110000010001001000000100001101000000100111000000100000010111001110110101111111110,HQFHEUILLDJSKL-UHFFFAOYSA-N
+N(CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCC3)[S](C5=C(C=C4[NH]C=NC4=C5)C#N)(=O)=O,860AE7B9019D1B8E_853F9701BA97783B_6029_UN,8.472532,00000000000000000000000000000000110000000100000000010001011111101101010001000101011100001000001010001110011001001100011011001100001110001110001011111011110111110111110,QYCZJYGDAHUNND-UHFFFAOYSA-N
+FC(F)(F)C1=CC=C(C#N)N1C[C@@H]2CNCC[C@@H]2C3=CC=CC=C3,074166E751FF1BC9_51CF78FB00270E69_6034_UN,8.472168,00000000000000000000000000000000000000000110000000000000000000100100000000010001101101100011000010101000101100011000001011100100110000100110001011011011010110100111010,PWFMHSVAMKKQNJ-GOEBONIOSA-N
+CC(C)(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)CC3=CCCCC3,A7A01AF41654EAC5_CF5C9ECEB760FA38_6035_UN,8.471929,00000000000000000000000000000000000000000000000000100000000000000010000000111001001001110001000000111001100110011101001011100011110010100110001111011111110101101111110,OPELCPZZCCLLGP-UHFFFAOYSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NC(COC)C3=CC=C(C)O3,93545537E51B380E_4A14B91C48231247_6041_UN,8.471458,00000000000000000000001000000000000000000100000000000000010000100110000000000001100100100101010110100000100001011001000011000110000001010100001010010111110111111111110,KCWSDWFRFFUVHL-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)NCC[C@@H]2CNC[C@H]2C)C3(CC3)C#N,B207990A07255833_796796ADCAF4229E_6041_DP,8.471066,00000000000000000000001000000000000000000110000000000000000000100010000000000000001100110011000010001000100110011001101001000000110101110110001000010011010110101111010,OYFLTZOACYPCHR-CHWSQXEVSA-N
+C[N]1C=C(C(=N1)C2CC2)NC3=C(C=C(OC)C=C3)[N](=O)=O,2C427C119EDE8147_91D6D712B9577D0A_6041_UN,8.471007,00000000000000000000001010000000000000000000000001001000100000110100001100010001100100000001011011000010000000000100000111101111001001010100001110111111100011111111110,UMYGRYBULQPBDH-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC=C2N[S](C3=CC=C(C=C3)[N+]#[C-])(=O)=O,A0BEEC62989CC1CD_67C0C6E91EB81C89_6029_UN,8.470778,00000000000000000000000000000000110000000100000001010001001111001101010001010000110101001000011010000110011000001000010001101100001001011100001001001001000010111111110,ARVWDYSDKKHZTR-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OCC#CC2=CC=CC=C2)C(F)(F)F,7B03389285293FC2_2FDA5C74D0C2EC9D_6039_DP,8.470562,00000000000000000100000000000000000000000010000000000000000000000010000000000000001000100001000000101000101111011000101001000010110000100110000001010001110101101111110,PQTCALVRDSPHSO-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C#N)N(C2CC2)[S](C3=CC4=C(C=C3)[NH]C5=C4CSCC5)(=O)=O,C08DC4707BF5E3E5_5A0A7A103D813285_6029_UN,8.470556,00000000000000000000001000000000110010000100000000010001001111001101000001000000010100101011001010100110111000011000011011101100111001011110001011011011010010111111110,KOKZYEFCYLQLOP-UHFFFAOYSA-N
+CN1CCN(CC1)C3=NC2=C(C=CC=C2)OC4=C3C=C(C=C4)NCCNCCOC,F136FD257155978C_795C589B0E7D4541_6041_DP,8.4700575,00000000000000000001000000000000000000100000000000000010010000100000000000010111001001100001010101101100110001010101101111100110110111010110001011011101110111111111110,RUUMPLMNLYXIIL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC(C)(C)CN3CCOCC3,8254A074197A76CE_B0C44B9B087C6F61_6041_UN,8.470036,00000000000000000000000000000000000000000100000000000000010000000110000000110001000101100001000110101100110011011001001011100100110111010110001001011101010111101111110,NOJGJQHGYBXMQF-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1SC=CC1=CC=C2)NCC3=C(N(CCOC)C)C=CC=C3,FB05D8989BF76BA7_742F41B6C95F4210_6026_UN,8.469688,00000000000000000000000000000000110010000000000000010001001111001001010001000000111101101000011110001110011011011001111000101110101011011110001011111111010111111111110,ZHLRHIMYBBJQPJ-UHFFFAOYSA-N
+COC(=O)C1=CC(=C(C=C1)F)NCC2=CC3=C(C=C2)CNCC3,B3B0132ADA1FF3E6_6066A299AA538129_6041_DP,8.469478,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000110001010000101100110100010000001001010110110101110110001011010011011111111111110,BCCCTHQJHNHHQK-UHFFFAOYSA-N
+O=[N](=O)C2=C1C=CC=NC1=CC=C2N[C@H]3C5=C(OC4(C3)CCCC4)C=CC(=C5)F,E5647300B4AFBA9A_F5378B4E5F671EBD_6041_UN,8.469452,00000000000000000000000010000000000000000010000001000000110000010110001100000001100000010001001011100110110100011100001111101100111011110100001011111011100011110111110,GFRASBMXACCDPK-LJQANCHMSA-N
+CC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)NCCOC3=CC=C(C=C3)CC#N,5D48560304633009_D8D06B3B8A0B53C8_6026_UN,8.469261,00000000000000000000000000000000110000000100000000010001001111001001010001000000011000001000001100001110111001011100011000001111001010001010001101111001110111111111110,HOEOTXCQWNVTPU-UHFFFAOYSA-N
+CC2=C(C(=C1C=CC=C(C1=N2)F)NCC3=CC(=NC=C3)N4CCN(CC)CC4)C,6D706BCEAC52C56F_ED9C54CF23B0D7B2_6041_UN,8.469208,00000000000000000000000000000000000000100010000000000000000000100100000000010101101001110000000000101100010110010010101011100100110001110110011011011111010110101111010,LZZRFCXVVDUYAJ-UHFFFAOYSA-N
+FC2=C[N]1N=CC(=C1C(=C2)F)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,469FAED95C31A8D5_3BDE0E2189CC7B49_6041_UN,8.469172,00000000000000000000000000000000000000000010000000001000000000100100000000010001100101110011011010101100110110010001101011101100000001110100001001011011010010101111010,ZZOVTELTZFWQDR-WBVHZDCISA-N
+COC1=C(C(=CC=C1)[S](=O)(=O)NC2=C(CCN(C)C)C=CC=C2)F,00F379A84A1F1FA8_8046E4D3B68DA9B9_6026_UN,8.468782,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111011011000001010001100011101111000101111001001111000011111111111110111111111110,ZGPFJCGENZJZSQ-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CCNC3)CC4(C)CCCN(CCC#C)C4,FBD94586DE02F368_173E2158307A5A4D_6034_UN,8.468372,00000000000000000100000000000000000000000000001000000000000000000110000000010001101101110001000010101100110110011001101011100100110000100110001011011001010110101111010,WXNHUSVBSBTLOA-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CCNC3)CC4(C)CCCN(CCC#C)C4,DB3B5F825CB7A525_385B4DCFD79A1A71_6034_UN,8.468369,00000000000000000100000000000000000000000010000000000000000000000110000000010001101101110001000010101100110110011001101011100100110000100110001011011001010110101111010,DYUHYYXBSIAHLC-UHFFFAOYSA-N
+O(CC1(CNCCC1)F)C2=CC3=C(C=C2)[N](C(=C3)C)C,96D674EFE0C7DE2F_A28FF41DF2293480_6035_UN,8.46835,00000000000000000000000000000000000000000010000000000000000000000110000000010000001101110011010011101100110101011100001011100111110000100110001111011111110111101111110,XCYHQYUFWXOYTC-UHFFFAOYSA-N
+COCC1=CC(=C(C=C1)OC)[S](=O)(=O)NC2=CC(=C(CC)C=C2)C,6ABBCA439A0FB3FF_F568F59A552A8EEB_6026_UN,8.468175,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000101100011001000010001001001111110000001111001001011000110111101111110111111111110,MAMDVXVEQYGODW-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OCC2CCNCC2(F)F)CN(C)C,01FEC5051073E882_F99AD55DD6736CDF_7022_DP,8.468095,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001110001010001101000100101011101001001100011110000100110011111011111110101111111110,GFMPNCFRTBFGDH-UHFFFAOYSA-N
+O=C1N(C=CC=C1C#N)C[C@H]2[C@@H](CNC2)C3=CC(=CC=C3)F,DB66C7DC30935CD2_C12CA2CBD3328031_6034_UN,8.468041,00000000000000000000000000000000000000000110000000000000000000100100000000010000101101110011100011101000000100100100010011100101110000100110001111001011011110100111110,SXBWIMKSGJJSHX-HOCLYGCPSA-N
+N(C2=C1C=NC=CC1=C(C=C2)N3CCOCC3)[S](C4=CC=C(Cl)C=C4)(=O)=O,B9D31EED876C966E_B883FC773D8E3D35_6029_UN,8.467843,00000000000000000000000000000000110000000000000000010001011111101101010001010000110001111000001100101111011101011000011011101100111011111110001001111001010011110111110,IWSIVFCMIMEHBT-UHFFFAOYSA-N
+N1CCOC[C@H]1CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)C#N)F,D774BD3FEA7F6958_5C0CE9204FB10E53_6039_DP,8.467828,00000000000000000000000000000000000000000110000000000000010000000000000000000000001000110001000100101000100101010100001011000111110010100110001111010011110111110111110,VWUDOUDWOZBUOW-QGZVFWFLSA-N
+N(C2=C1C=NC=CC1=C(C=C2)N3CCOCC3)[S](C4=CC=C(F)C=C4)(=O)=O,C8263F647CEBAA49_9795501BC31C5E4B_6028_UN,8.467718,00000000000000000000000000000000110000000010000000010001011111101101010001010000110001111000001100101110011101011000011011101100111011111110001001111001010011110111110,JGMGASJRWHALIW-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COCCC#N)NCC2(COC)CNC2,14EE78522E687085_DE15DD5F55B99867_6041_DP,8.467352,00000000100100000000000000000000000000000100000000000100000000000010000000000000101000100011010001001000000011011001001001000010110111010110001000010001010111111111110,JPXKKVWMUMJPNB-UHFFFAOYSA-N
+COC3(CC(COC1=CC=CC2=C1[NH]C=C2)(CN)C3)OC,A699DEB3E63F257F_0C68BA9A3B007ACB_6035_DP,8.4672365,00000000000100000000000000000000000000000000000000000000000000000110000000000000001110000011010111001100010001001100100001010111100110000110001100100101110111111111110,UEYFGLGDFJQIAU-UHFFFAOYSA-N
+COCC(C)(CN)COC1=CC(=CC(=C1)F)C2CCCNC2,E657C9D64C40D05D_F65F5AE5D9527149_6035_UN,8.466159,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010110111010001101000100111011101001001000011110100100110001101010101110101111111110,LBSDLEARFPSHQW-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CCC(CSC)N,AC717280FEEFBD57_D54157C5AE714F3D_6034_UN,8.466085,00000000000000000000000000000000000000000000000000000000000000100100000000010000101111101011010010001100110010010001001011100100110100000110001010011011010110101111010,KBLHNLCRBIMQSX-UHFFFAOYSA-N
+O(C1CCC2(CC1)CNC2)C3=C(C)C=C(C(=C3)C)C(C)(C)C,2ECD24696098CDCA_9F31B0CE49BDAE3A_6035_UN,8.466063,00000000100100000000000000000000000000000000000000000000000000000010000000100000001000100011000000001000010000001100001001000011110010000110010111010111110001101111110,KBDKAAUXWDVKGM-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)NC[C@@H]2OCCN(C)[C@H]2C3=C[N](N=C3)C)F)F,57E066314F246FB3_B4128724B99FB2E0_7022_UN,8.465942,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101000000111010001101011101100110011110110011011011111110111101111110,RXRDAWKTRSNZHM-YOEHRIQHSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2=NC=CC(=C2)CC,27F80F354F1B9F00_E908FE9CE223A61A_7022_UN,8.465724,00000000000000000000000000001000000000000000000000000000000000000110000000100001001000100001010100101000000001011111000001010111100001010110011111000111110111111111110,RICCHMSYQMMVEE-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=N[N]3C)C(F)F,8A2C288DFE1E9025_768A0362131E5DA5_6035_UN,8.465331,00000000000000000000000000000000000000000010000000001000000000000110000000010000101100110011111111001001100100111100011011101111110010100110001110011011110111101111110,QQNRNJFJMPGYSR-UHFFFAOYSA-N
+N1C[C@@H](C[C@H]1C(=O)OCC3CCN(C2=CC(=C(C=C2)F)C)C3)OC(F)(F)F,5D8799B0B0D3913D_B2B9773E462387F6_6031_DP,8.465276,00000000000000000000000000000000000000000010000000000000000000100000000000010000001101110011000111001000101101011000001011110011110011110110001110111011111111111111110,SHTJWBLNNADNNV-TUJLOAKASA-N
+N(CC1=C(C(=CC=C1)C#N)F)[S](C2=C(OC)C=CC(=C2)C3=NC=CC=N3)(=O)=O,0F2A397C6102329D_CCBF66870858110C_6029_UN,8.465061,00000000000000000000000000000000110000100110000000010001001111101101010001000100111000011100011001101010001100001100010011001111001000101100001111101011110111111111110,QDPXOUXPENVMSY-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CCN(CC2)[S](C3=CC=CC4=C3C=C[N]4CC)(=O)=O,C7F972E5E5EDD2B1_C8E659D306C4B200_6029_UN,8.464684,00000000000000000001000000000000110000000000000000010001001111001101000001010000010101101000011010001110011000011110011011101111111000001110001111111100110111111111110,PBJUXZZCZLGMFX-UHFFFAOYSA-N
+N1CCC4(CC1)CC(OCCC2COC2)C3=C(C=CC=C3)O4,8E88422CC321B924_5FD8DA152F5D6FF9_6039_DP,8.464491,00000000100100000000000000000000000000000000000000000000010000000010000000000000001000100101000001101100110001011100001011000011110010000110000111110001110101110111110,XDOCLLCFANAPMD-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC2CC2)NCC3(CC(OCC)C3)N4CCOCC4,D32171D873851858_5E874170164FC1E5_6041_UN,8.464418,00000000000100000000001000000000000000000000000000000000010000100010000000010001001001100011000101101000000011011110001011100011110011010110001101111001110111111111110,PVHCMNPQUVCVME-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C=C2)CCOC3=C(C=C([S](C)(=O)=O)C=C3)N,9C75ED00A28EA366_7E5C60EED02702D7_6034_UN,8.46423,00000000000000000000000000000000000000000000000000010001001111001101000001010000010111011001010110001111010101011100001001101111001011111110001111111011110111111111110,VHEQVAMNYJJXEJ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2)CCOC3=C(C=C([S](C)(=O)=O)C=C3)N,2BD0CAFEA39B8D2F_A8E508D139732871_6034_UN,8.4642105,00000000000000000000000000000000000000000010000000010001001111001101000001010000010111011001010110001110010101011100001001101111001011111110001111111011110111111111110,MEDPHSFXQIGURN-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C=C2)CCOC3=C(C=C([S](C)(=O)=O)C=C3)N,83422E02F4E558FF_C75DF6342CEEE229_6034_UN,8.464209,00000000000000000000000000000000000000000000001000010001001111001101000001010000010111011001010110001110010101011100001001101111001011111110001111111011110111111111110,NZRMDIPCVBKTOO-UHFFFAOYSA-N
+COCCN1CCC[C@H]1COC2=C(C)C=C(C=C2C)CN3CCOCC3,A3360100709FED49_D900064C8870F5DE_6035_UN,8.463947,00000000000000000000000000000000000000000000000000000000010000000000000000010000000101100000010110101000000011010101101011100011110010000110011111111110110111111111110,SLFHORHWPZCFNX-FQEVSTJZSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NCC(C3CCCN3)(C)C,0EB43D4644DB22C1_FA3F85AC05DAB3B8_6041_DP,8.463757,00000000000000000000000000000000000000000100000000001100000000000110010000100001101100000011001010001100110010011001101011001100110101010110001000010101010110101111010,NIPLPZIOKQLVMV-UHFFFAOYSA-N
+CCCC1=CC=C(S1)[S](=O)(=O)NC2=C(CC)C=C(C=C2)C#N,95C4C3EF16AEF9D9_ED14F82889BBC0DF_6026_UN,8.463163,00000000000000000000000000000000110010000100000000010001001111001001010001000000010100001010001010000010001000001011011000001100001001011100001010011111000110111111110,PPGDCQLBDMDHIA-UHFFFAOYSA-N
+CCOCC1=C(C=CC(=C1)[N](=O)=O)NCCC2=NC3=C(C=C2)C=CC=C3,800261476CF05C3D_9A97D7502F862C13_6041_UN,8.462963,00000000000000000000000010000000000000000000000001000000100000010100001100000000101000100010001001101110110001010010101101101110101001010110001011111011010111111111110,NALRMVRJNQRHRD-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3)C#N,904EAAEC3C54AECC_43A68BDF5AF17043_6026_UN,8.462834,00000000000000000000000010000000110000000100000001010001101111011001011101000000111000001100011000001010001000001100010100101111001001011000101111101111110111111111110,JPOQJJZIEKHTRD-UHFFFAOYSA-N
+COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(N(C)C)C=CC=C2)C,D1E5B5E7DCC24B1E_073380E3BD7EA100_6026_UN,8.462812,00000000000000000000000000000000110000000000000000010001001111001001010011100001010001101000011000000010001011001101111000101111001011011010111111111111110111111111110,YBYYIQNJJLXLED-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1OC2=CC=C(C=C2CCl)C#N)C3,9711A2DC06152584_EC211A35C7A4C8ED_6003_DP,8.462803,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000100001000000101101110000010100001001000111110000100110001111010011110101100111110,DOEUZCOKRKYDRA-UHFFFAOYSA-N
+N1CCOC[C@H]1CC2=CC=C(C=C2)OC3=CC=C(F)C=C3C#N,D09D9E37DAD89D7E_4B407CD7B40FA722_6003_DP,8.462602,00000000000000000000000000000000000000000110000000000000010000000000000000000000001000110001000101101000100101010100001011000111110010100110001111010011110111110111110,HOHYXHYSCOKKLU-MRXNPFEDSA-N
+CC4=NC1=C(C=C(C=C1C)NCC(C)(C)N3CCC2=C(C=CC=C2)C3)[NH]4,EAB3CBFAFEB5AC2B_9661F685077049DA_6041_UN,8.462522,00000000000000000000000000000000000000100000000000000100000000000110000000110101101101100001000010101100010010011001101011100100110101010110011011011101010110101111010,BHXHGFUQCBKMOW-UHFFFAOYSA-N
+C(C1CCCC12CCOCC2)=CC3=CC(=C(OC(F)(F)F)C=C3)Cl,B606A7E4AC6431B3_23150671AFBCECEF_7019_UN,8.46241,00000000000000000000000000000000000000000010000000000000010000000010000000000000000000110000000010110001011101001100001000000011110010100110000111010010110001010011110,DAHPGYXHEUTWFQ-UHFFFAOYSA-N
+O(C(C1CC1)(C2=CC=CC=C2)C(F)(F)F)CCC3(CCNCC3)C#N,76E4A73B151EF546_601AEC92CF4951F3_6039_DP,8.462177,00000000000000000000001000000000000000000110000000000000000000000010000000000000001000100001000000101000101101011000001001000010110010100110001001010001110101100111110,JMNVTQNEXYSRLR-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)C(C)(C)OCCN2CCOC(C)C2)C,F2E6AC31081D9273_D74FDFDB702493DA_6039_UN,8.461443,00000000000000000000000000000000000000000000000000000000010000000010000000110000000001100000000100101000000011011001101011100010110010000110010011011110110101111111110,CPHBVYKPLCRZGF-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C=C2CC#N)C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl,000A4F8FA3A3333F_5F41BAD12C6DE485_6034_UN,8.461435,00000000000000000000000000000000000000000100000000000000000000100100000000010000101111110011000010001101010100010000000011100100110101110110001001001011010110100111010,NOFYSOSGPPIZLC-JXFKEZNVSA-N
+C[N]3C=C(CC=CC1=C[N](N=C1C)C2CCOCC2)C4=C3C=CC=C4,AE6E954E9DC7FFE2_0E8024B422F689C1_7019_UN,8.461205,00000000000000000000000000000000000000000000000000001000010000100100000000010000100101100000011011110100010011010000001011101100110011000110001011011110010111101111110,XMTOVSWTGPCPSU-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)NCC2=CC=C(CSC)C=C2)C#N,9A74E18DF8942B0C_86345A8F08929B6B_6041_UN,8.46107,00000000000000000000000000000000000000000100000000000000000000000100000000000001001000101000010101101000000000000101000001000111000001010110001111000111110111101111110,QWDUAGBLBKHSEE-UHFFFAOYSA-N
+N#CCC1=CN(C2=C1C=CC=C2)C[C@@H]3CNC[C@H]3C(F)(F)F,1F9279B90CEE5D8F_4108D6D7B9C7C901_6034_UN,8.460671,00000000000000000000000000000000000000000110000000000000000000000100000000010000101101100011000010001100011100011000000011100100110000100110001000001011010110100111010,ZOFXSZIHOJYVCL-GXTWGEPZSA-N
+C1(=CC2=C(C=C1)CC(=O)CC2)NC3=C(SC)C=CC(=C3)C#N,36869FB0F1A299C3_242BEADE091AC8FD_6041_UN,8.460445,00000000000000000000000000000000000000000100000000000000000100001000000000000000010000001001010000000100010000000000001000000101110011010000001111010011101010101111110,HJXPXYUVXSADKX-UHFFFAOYSA-N
+C[N]1N=CC2=C1C=C(C=N2)NCC4=CC=C(CN3CCCN(C)CC3)C=C4,CF1441AC6D6A6B00_9B8ECB2A4D17BDAE_6041_UN,8.460325,00000000000000000001000000000000000000000000000000001000000000000100000000010001101101100000011010101100010010010001101011101100110001010110001001011101010110101111010,DPLHBDJYYKCOEJ-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1COC(C=CC2=CC=C(SC)C=C2)=O)C3,D0EDAD6D054E2322_4DE155BB6677812E_6038_DP,8.460274,00000000000000000000000000000000000000000000000000000000000100001000000000000000011000101001010000111100110001010000001001010110110000000110000011010001011101111111110,ZYGSTTUYWJLOKB-UHFFFAOYSA-N
+N3CCC[C@H](CNC(C1=CC=CC(=C1)C2(CNC2)F)=O)C3,65505D5BD5A370BA_511287AD8A9285D9_6038_DP,8.4601965,00000000100100000000000000000000000000000010000000000100000000100010000000000000101000110011100000101000100100111000011011000000110100100110001001010001011110100111110,WBJFKRPEEMWRNG-LBPRGKRZSA-N
+CC1=C(C2=C(C=C1)N=CC=C2)NC3=NC(=N[N]3C)[C@@H]4CCCN4,06015C58A0ED548D_C4C685627004309D_7022_DP,8.459931,00000000000000000000000001000000000000100000000000001000000000100100000000010101101100000011011010101100111000010000001011101100010101010100001011011111010010101111010,FZKZUVZWGGSHTI-AWEZNQCLSA-N
+BrC1=CC2=C(C=C1)N(C(=CC2=O)C3=CC=CC=C3)C[C@]45CCC[C@H]4NCC5,346A7246A633178D_D6E4963A5EE7102A_6034_UN,8.459846,00000000000000000000000000000000000000000000001000000000000000100110000000010000101101010011000011101100110100011100001011100101110000100110001111011011111110100111110,UQGOSWOLYRPNFK-DHIUTWEWSA-N
+CSC1=C(C=C(C=C1)CN[S](C2=CC(=CC(=C2)C#N)F)(=O)=O)C,DDA77BFD094F6EDC_9AD78EC1D35D9548_6029_UN,8.45965,00000000000000000000000000000000110000000110000000010001001111001001010001000000011000011000011000001010001110001000010000001100001000101000001011001111010110111111110,HDFALQBCJVGUMY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N=C(CC#N)N2CC3(CC)CCNCC3,97E7487F07C41211_845443390D6DB4F7_6034_UN,8.4595585,00000000000000000000000000000000000000100110000000000000000000000110000000010101101101110001000010101100110110011010101011100100110000100110001011011011010110101111010,XDBILHJVHXJHKY-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=C(C=CC=C2)F)C3=C(N)C=C(C(=C3)Cl)Cl,AD5D9205012CE7C8_387592AB83312768_6035_UN,8.459521,00000000000000000000000000000000000000000010000000000000000000000010000000000000001110110011000111001001100100011100001001000111110111110110001111010011110111100111110,VZMOQBRWULKJFO-UHFFFAOYSA-N
+CCSC1=CC(=C(C=C1)CCl)N(C2=CC=C(OCCC)C=C2)[S](=O)(=O)C,7920FB73FFEDAAE4_F926380F24D9DCA2_6043_UN,8.459498,00000000000000000000000000000000110000000000000000010001001111001001000001000000010000001000011000000011001001001111011000101111001011111010010111111110110111111111110,QAWGIWUBEPMHPU-UHFFFAOYSA-N
+CC(C)(COC2=C1C=CC=CC1=CC=C2C#N)N3CCNCC3,701A763231452EAD_EBEF63C5EA0AC28F_6035_UN,8.459046,00000000000000000000000000000000000000000100000000000000000000000010000000110001001001100001000101101100110011011101101011100111110000000110001111011111110111101111110,IPGIGRUCUZRFGC-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)F)F)CC3,FF467BAFFC074F8D_066FC20170AEA619_6035_DP,8.459027,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,CIJHOOKJGRMIDB-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)F)Cl)CC3,7C667360ED189F36_23DFB3C75DF3FB6F_6035_DP,8.459026,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,WVFLWBMVHPXRQO-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)Br)Cl)CC3,DA22FFA7D69A9F3E_507446855252901B_6035_DP,8.459025,00000000000000000000001000000000000000000000001000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,MOWFDTVJDVBZKZ-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)Cl)F)CC3,66FC6E38AE2A13EC_96C2849FC002AB84_6035_DP,8.459024,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,JXLXJQVWHYEPNF-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)F)Br)CC3,36A3BFF55E12A309_54DCAF198C107331_6035_DP,8.459021,00000000000000000000001000000000000000000010001000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,KYJPWONVZPXOLJ-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)Cl)Cl)CC3,6FA302D28A567840_BCB9907F641BCB6F_6035_DP,8.45902,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000001101001110101011100001001000011110100100110001111010011110101100111110,ZPKGKJBKMUAGLL-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=C(C=CC(=C2)Br)F)CC3,DDEA09C72CE0E45F_6DAB829ED2569CA6_6035_DP,8.459006,00000000000000000000001000000000000000000010001000000000000000000010000000000000001010110011000001101000110101011100001001000011110100100110001111010011110101100111110,WNBUFJKQFPLCNT-UHFFFAOYSA-N
+BrC2=C1C=CN(C1=CN=C2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,39D8F14EE80B9240_6BEEE0FB2E8F52B0_6034_UN,8.458792,00000000000000000000000010000000000000000000001001000000100000010100001100110001000101110000011011101110010100000000000111101100001001110100001011001110010110111111110,YPISREUSVKYCPY-UHFFFAOYSA-N
+CCOC(=O)C1=C(C=C(C(=C1)[N](=O)=O)NCC2=C(CC)C=CC3=C2C=CC=C3)F,8E084873ED580DA1_249A187F6D35E07E_6041_UN,8.458787,00000000000000000000000010000000000000000010000001000000100000010000001100000001001000010001001001001110010111000010000100111110011001111010101011101111011111111111110,PBQDVPWVYNCBNW-UHFFFAOYSA-N
+NCCC3(OC2=CC=C([C@@H]1[C@H](C)CCNC1)C=C2)CCOC3,A81FDC544197AB12_ACA652372C477246_6035_UN,8.458599,00000000000000000000000000000000000000000000000000000000010000100010000010000000001110100101000011101000100001011101101011000011110110000110001101010011110101111111110,RYTIGJJGMATQTR-NAVMLSPISA-N
+[NH]1C=CC2=C1C(=CC=C2)[S](=O)(=O)N(CC3=CC(=C(OCC)C=C3)OC)C,E64A750B0036B22D_D3DAB19EA969CFFE_6026_DP,8.458564,00000000000000000000000000000000110000000000000000010001001111001101000011000000110100101000011011001110011001001111010001101111001000001110111111101111110111111111110,SOHKORXKPPPMFN-UHFFFAOYSA-N
+CCCC1=CC(=CN=C1)OCC2=C(C=C([N](=O)=O)C=C2)C(F)(F)F,8223E883CCA7AB00_37E210337A54E5E7_6039_UN,8.458447,00000000000000000000000010000000000000000010000001000000100000010100001100000000000000000000001100100010001101001111001101101111001001110100001111111010110111111111110,GFVHEFFAZIKOHG-UHFFFAOYSA-N
+CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC2=CC(=C(C)C=C2C3CNCC3)Cl,4C1E59E04B534425_AF3008CCD92B2D8B_6035_UN,8.458426,00000000000000000000000000000000000000000000000000000000000000100000000000100000001100110011000010001001100110010101101001000011110010100110010111010111110001101111110,ZIXSRLRAGFJWLT-KYSLEYKRSA-N
+OC1=C(C=CC=N1)NC23CC4CC(F)(C2)CC(C3)(F)C4,5ABC0B4EE9750C73_DA9C8B0D31A34808_6041_DP,8.45817,00000000000000000000000000000000000000000010000000000010000000000110000000000001000000010001100100100100110100111100010001000001100101110101001111000011000011100111110,ORIPLAYBDOQICL-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCC3C2CCCCC2NC3,DF1FDCB14CA58865_A1464CFD2F3303FB_6041_DP,8.4580965,00000000000000000100100000000010000000100000000000000100000000000100000000100100101100100011010010101100110000011000001011000000110101010110011001011101010110101111010,XIKCXYJQPARJEO-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)N[C@@H]3CNC[C@H]3C,829EEA364A832A1E_5D482DFAAAF97B48_7022_DP,8.458093,00000000000000000000000000000000000000000000000000000110000000000000000000000001101100110011000010001001100110010101100001000111010101110110001101000011110011101111110,ASTWPOHJEMMEHK-SJKOYZFVSA-N
+F[S](=O)(=O)C1=CC=C(O1)NC3=C(C2=CC=C(N(C)C)C=C2)C=CN=C3,E79BEF8AE5FA9F54_E2C9A5AE920965A6_6041_UN,8.457802,00000000000000000000000000000001000000000010000000010001011111101101000011100001010101101000110010100010001100101000010011101100001001111100001011101111000010111111110,LTUKOHCISACDMP-UHFFFAOYSA-N
+CC4=CC1=C(C=CC(=C1)OC(=O)CCC2=CC3=C(C=C2)OCCC3)[N]4C,71C7E55CD0CAC88D_35090161CA26616D_6038_UN,8.45779,00000000000000000000000000000000000000000000000000000000010000000100000000010000000101000000010010100100010001000100001011110111100010000100000111111110111111111111110,LBDJCELFHLNYRA-UHFFFAOYSA-N
+C(CCOC1CCCCO1)=CC2=C[N](C)C3=C2C=C(C=C3)F,96D0B6AE363EBEE9_A2A46C0A064EDFB3_7019_UN,8.457764,00000000000000000000000000000000000000000010000000000000010000000100000000010000000101010000010010110100010101000000001011110111110010100110000101011000010111111111110,HGDTWVAAYNFZDA-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC3=CC=C(C2=CSC(=N2)C)C=C3,CFDE5137C54394DE_FA2E582ECD14055A_6035_UN,8.457394,00000000000000000000000000000000000010000000000100000000000000100110000000100000111101101011010110101000100010011101001011100111110010000110011101011101110111101111110,XIBZIKHISBDLBA-UHFFFAOYSA-N
+COCC(C)(OC1=CC=NC2=C1C=C(OC)C=C2)CC3=CC=C(C=C3)Cl,F98AE1F453D0D7D0_9B46AF8C5856293D_6035_UN,8.457297,00000000000000000000000000000000000000000000000000000000000000000110000010000000000000110000010001100101010111001101000001000111000010100100010101100100110111011111110,HAQQTXOFUJYBFS-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NCCCN3C(C=CC3=O)=O,DF6706DAEB0664DB_95BCE5D1A5157A31_6041_UN,8.456878,00000000000000000000000000000000000000000100000000000100000000000100000000010000101101000110100010011100110000110000011011100101000101011110001100011011011110110111110,WMNIRPWRAQILGL-UHFFFAOYSA-N
+ClC2=C1N(C=C(C1=CC=C2)CC#N)CC3=CC=C(C=C3)C4CCNCC4,02AF0D1165894460_0E6E919BEC829C12_6034_UN,8.455578,00000000000000000000000000000000000000000100000000000000000000100100000000010000001101110001000010101101110100010000001011100100110000100110001001011001010110100111010,KAIDTKGYIHXCHX-UHFFFAOYSA-N
+BrC2=C1N(C=C(C1=CC=C2)CC#N)CC3=CC=C(C=C3)C4CCNCC4,7E3AB957A499FE06_3B22786EDB378868_6034_UN,8.45557,00000000000000000000000000000000000000000100001000000000000000100100000000010000001101110001000010101100110100010000001011100100110000100110001001011001010110100111010,DBYHYJCCHRSSJR-UHFFFAOYSA-N
+N3CCC(F)(F)C(COC1=C(C2=C([NH]1)C=CC=C2)C#N)C3,CFE87BBDFA9B39C6_3887623B43129FBC_6035_DP,8.455219,00000000000000000000000000000000000000000110000000000000000000000100000000000000101100110011100011101100110101111100011011000111110100100110001111010011010111100111110,LGMJPOHSBPUHJP-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C=C2CC#N)C[C@H]3O[C@H](OC)CNC3,3F7BC3CA1BE6E009_6083DF8BC730BF33_6034_UN,8.454958,00000000000000000000000000000000000000000100000000000000010000000100000000010000101111100010010110101100010000010000100011110111100111010110001101001001110111111111110,VMNNXNMMSQMDRZ-BBRMVZONSA-N
+CN1CCN(CC1)CCC=CCC2(CCNCC2)C#N,C2920281EEBD3BC8_BCFB7D53C19B6C6C_7019_DP,8.454257,00000000000000000000000000000000000000000100000000000000000000000010000000010001001001100001010000111000100000011001101011100000110000000110001001011001010100101101010,AZRSTNYKUVMANV-UHFFFAOYSA-N
+FC2=CC(=C1OCCC1=C2)NC[C@@H]3CCN(C)[C@H]3C4=CN=CC=C4,24B743F8DF1A4716_6E18B57437DA9BEB_6041_UN,8.454163,00000000000000000000000000000000000000000010000000000000010000100100000000010000101101110011010110101100010111010101101011100100110011110110001011011011110111101111110,WUHOHYBIMBAECN-YJBOKZPZSA-N
+COC3(CC=CC1=CC(=C(C=C1)OCCN2CCOCC2)Cl)CCC3,C2054EDD4FCCFDEE_3F7A80E88711D963_7019_UN,8.454083,00000000000100000000000000000000000000000000000000000000010000000010000000010000000001110000010100111001000111011100101011100011110010100110000111111010110101111111110,ZXJPXGCXWGKKJW-UHFFFAOYSA-N
+CC(C)(C)C1=CC=C(C=C1)C(OCC3OCC2(CCNCC2)C3)C#N,CC2B3F57E63BC9CE_D0246B28B2F5E342_6039_DP,8.453969,00000000000000000000000000000000000000000100000000000000010000000010000010100000001100100001000110101000110001011000001011000010110010000110011001010101110101111111110,RWDWSUXQJFSEDX-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=CC=C3)Cl,0A930C62020E8FF0_29BFD629F6A4136D_7022_UN,8.453648,00000000000000000000000000000000000000000000000000000000000000100000000000010001100101110011010010001001100110010101101001100111000001110100001111011111110011101111110,IRCNPLGBTSUALZ-AEFFLSMTSA-N
+COC1=C(C=C(C=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=CC=C3)F,93D273B79D9FBA30_1B7E084EAFBBDEA9_6041_UN,8.453635,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001000100110010101101001100111000001110100001111011111110011101111110,XVPUWXZSQYNHTQ-AEFFLSMTSA-N
+C1NCCN(C1)C3=CC2=C(C=CC=C2)N3CC4(CCCCC4)C#N,C6B823F0969152E3_EFFD67D00374A165_6034_UN,8.453511,00000000000000000000000000000000000000100100000000000000000000100110000000010101101101100001000010101100110000011000001011100100110001010110001011011011010110100111010,NHFNNOATNAKLJZ-UHFFFAOYSA-N
+CC1(O[C@H](CNC1)COC3=C(CN2CCCC(N)C2)C=C(C=C3)Cl)C,331D3CFEB292442B_9615FAF4BC6B8AB6_6035_UN,8.453503,00000000000000000000000000000000000000000000000000000000010000000010000010110001001011110011000101101001100111011101001011100011110111100110001111011111110111111111110,SFEIAWNOWTWZEW-ZYMOGRSISA-N
+CC3(C)CCC(COCC2=CC1=C(CCNC1)C=C2)O3,D2D047D02746DB98_D2C147547EE30079_6039_DP,8.453251,00000000000000000000000000000000000000000000000000000000010000000010000010100000001100100001000010101100110011011001101011000010110010000110000011010101110101111111110,NOKXNKAIQVZMEZ-UHFFFAOYSA-N
+CN(C)CC1=CC=C(C=C1)[S](=O)(=O)NCCC2=CSC3=C2C=CC=C3,48D0EFDB61403B50_A374B8209747AD9B_6026_UN,8.453237,00000000000000000000000000000000110010000000000000010001001111001001010001100000011101101000011010001110111000011001011000101100001000001110001001011101010110111111110,JTJIOQUXTFAXHF-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=CC=C(CC)C=C3,AA1C3F78474B32A2_78080794FA31500E_6035_UN,8.453048,00000000000000000000000000000000000000000010000000000000000000100010000000000000001100110011000111001000100100011110001001000111010010100110000101010001110101101111110,RFIFIMPADAQUCF-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=N2)CCC3)NC4=CC(=C(C(=C4)F)N5CCCC5)F,136C76A13CCB43A2_0E0167F022EA1D44_6041_UN,8.452838,00000000000000000000000000000000000000100010000000000010000000100100000000010101000101110011000010101100110100010000001011100100010101110110001011011011010010100111010,BKYOXZZCWBJIJV-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCCC(C)(C)C2OCCO2,6B57DE0FC6073A2D_CA29C91230BAB376_7022_UN,8.452568,00000000000000000000000000001000000000000000000000000000010000000010000010100000001100100011010110001000100011011101101010010011100011010110110110110111110111111111110,NLLAUBOSVSZXAL-UHFFFAOYSA-N
+O=[N](=O)C1=C(C2=C(C=C1)[NH]N=C2)NC3=C(C=NC=C3)C#N,7AD92C6972ABD8B6_25EDD2871D694E37_6041_UN,8.452409,00000000000000000000000010000000000000000100000001001100100000010100011100000001100100000000001011100110010000000000000111101100001101010100001011001011000010110111110,APYLKAYNBBHCDZ-UHFFFAOYSA-N
+FC(F)(F)C2=C1C=C[N](C1=CC=C2)CC3(CC34CCNCC4)CN,D9D77CC3816FA602_25F6B2A3DF25BD0C_6034_DP,8.452389,00000000000000000000001000000000000000000010000000000000000000000110000000010000101111100011000010101100111100011000001011100100110100100110001001011001010110100111010,KMNPWYXKARVXJX-UHFFFAOYSA-N
+ClC(=NC1CC1)C2=CC=C(C=C2)C3=CC=CC4=C(N(C)C)C=CC=C34,B6CEE370D600A029_C8F8BEB3F0C3E42D_6006_UN,8.452047,00000000000000000000001000000000000000000000000000000000000000100000000000100010000001100000010000000101010100010000000100100100000001110000001001011100000010101111010,IDSWIIVHQLYDAS-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1F)F)NCCCC2CCNCC2,1F3EB3754D564D1E_39DB4854AB77CE67_6041_DP,8.451746,00000000000000000000000000001000000000000010000000000000000000000000000000000000001000110011010100101000100101010101001001010011110101110110001111010011110111111111110,PAEAMWLMCPISCS-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NCC2=C(N(C)C)C=CC=C2,DFEDECC86652B4BB_7614B593A156F40A_7022_UN,8.451699,00000000000000000000000000000000000000000000000000000000000000000000000000100000101001101001010100001000000010000101000000100111000001010010011111001111110111101111110,DVTYKJDPBMCPEC-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)Br)[S](=O)(=O)NC2=CC(=C(CC)C=C2)OC,CA1FE03BA10092F3_271B130AAB9511C9_6026_UN,8.451686,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011100011001000010001110001110010000001111001001111000110111101111100111111111110,GGRVGKOALAMNLL-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)F)[S](=O)(=O)NC2=CC(=C(CC)C=C2)OC,E04D9CC5E051463C_329DF7F31E39431A_6026_UN,8.451686,00000000000000000000000000000000110000000010001000010001001111001001010001000000010000011100011001000010001110001110010000001111001001111000110111101111100111111111110,NWWVSOASXYTQMR-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)F)[S](=O)(=O)NC2=CC(=C(CC)C=C2)OC,87DD929E2A94EFAA_E2D42C1A8DCBF69B_6026_UN,8.451667,00000000000000000000000000000000110000000010000000010001001111001001010001000000010000011100011001000010001110001110010000001111001001111000110111101111100111111111110,JHDPOCRCOJSPRH-UHFFFAOYSA-N
+N(C1=CC(=C(C(=C1)F)N2CCCC2)F)C(C34CCC(N3)CC4)=O,B1A878D5AE0BD836_532EF7E4472F9D61_6038_DP,8.451164,00000000000000000000000000000000000000000010000000000010000000100010000000010001000101110011100110001000110100111000011011100000110101110110001011011011011010100111110,HGVSSTNZFAADBU-UHFFFAOYSA-N
+CCOC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)NCC3=NC=CC(=C3)N(C)C,68E60F0B793F038C_3561280EEF845EBF_6026_UN,8.451028,00000000000000000000000000000000110000000000000000010001001111001101010001100001111001101000011000101110011001011110010001101111001001011110011101101101110111111111110,LGYOXYLYKGOWIT-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)C(=CC=C2)F)NC3CC4(CC3)CCCCC4,BF35B2D332B0AF72_9F69A3CE330D4180_7022_UN,8.450924,00000000000000000000000000000000000000000010000000000000000000000110000000000001000000010011000010100100110100011000001001000100110001110100001001010001000010100111010,KAYBJWIRJZCTOO-UHFFFAOYSA-N
+NCCCC1=CN(C2=C1C=C(C=C2)F)CC3(CCNCC3)C(F)(F)F,BF49A032F9A0BA8B_CB39BD1C91B96C67_6034_UN,8.450782,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111110011000010101100111100011000001011100100110100100110001001011001010110100111010,CMUYNZCVHRMRSX-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(C(OC)=O)C=C(C(=C2)C)C,A8F0A0193624054D_12FC270E2F31EA69_6041_UN,8.450722,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000111001100010000000100100010101111111001001011100111111101111001011111111110,VTQSXMGYTIDYKP-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NCC2=CC(=C(C=C2)F)COC,9FEE8E07E229A5AE_C8EE91B85515F662_7022_UN,8.450435,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000111001010100001000000101000101000000000111100001110010010111000111110111111111110,HMCBGFXLPFQENX-UHFFFAOYSA-N
+CCOCC1=CC(=CC=C1)[S](=O)(=O)NC2=CC(=C(COC)C=C2)OC,48768F7EC436206A_EF81EABECAA7E68C_6026_UN,8.450312,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000101100011001000010001011001111110000001111001001011010110111101111110111111111110,ALCPSJZCXPQAJR-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)NCCSSC)OCC2=CC(=CC=C2)Cl,7EB885CE9CFAE562_318890AD4D4190FA_7022_UN,8.450147,00000000000000100000000000000000000000000000000000000000000000000001000000000000001000011000010000001001100111010100101000001111000001110010000111010111110111101111110,HZVBTKYWKVJPLD-UHFFFAOYSA-N
+O(CC1(CCNCC1)C(F)(F)F)C2=CC=CC(=C2)CCCN,BC6B6B27A85DA6AC_C24FD8FBE61E7966_6035_UN,8.450117,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010100011000000101000101101011100001001000011110100100110001101010001110101100111110,XZFLUCPCIYHVAI-UHFFFAOYSA-N
+N(CC1=CC(=CC=C1)C2=CN=CC=C2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,2750F7C777C09435_D0ACB49E4BF7E038_6029_UN,8.449997,00000000000000000000000000000000110000000000000000010001001111101101010001100000011001101000011100101010001000001100010001101111001001011100011111101111110111111111110,RBKNSBIZQIYRAW-UHFFFAOYSA-N
+CC(C)C1=NC4=C(C(=N1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F)C=C[NH]4,DE9F7D74174141CC_E6DDC2928555882B_6041_UN,8.449926,00000000000000000000000000000000000000100010000000000100000000100100000000110101100101110011010010101100110110010001101011100100000101110100011001011111010010101111010,ZSWLTWNGCXPEQM-SJORKVTESA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2(OC)CNC2,0DDE56697925AC84_A70B31A9C5A77A73_7022_DP,8.449853,00000000100100000000000000001000000000000000000000000100000000000010000000100000101000100011010100001000000001001101100001010011100111010110011110100111110111111111110,AKNOCGDAGULVEZ-UHFFFAOYSA-N
+O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)CC4=CC(=C([N](=O)=O)C=C4)F,2A388D833786071D_B18EF8A4A16F0E55_6039_UN,8.449746,00000000000000000000000010000000000000100010000001000000100000110100001100010100000001110000001100101110010101010100001111101111111001110110001111111010110111110111110,LLPNXUCZFSKJLN-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OC2=CC=C(CNCC1N(CC)CCC1)C=C2)CN3,0F8DB56661D89770_32C964FCD6FA2314_6035_DP,8.449603,00000000100100000000000000000000000000000000000000000000000000000000000000010001001101100011010111001000100011010111101011100011110110000110001100011111110111111111110,MUFQDHGPILJREW-IPNZSQQUSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,8F45A1CB6B837DCD_019E798EF13CA75F_7022_UN,8.4491825,00000000000000000000001000000000000000000110000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010010101111010,XGTHHLZARKVQHM-RTWAWAEBSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)Cl,F882E5B1620C5197_187730B0D965E986_7022_UN,8.449159,00000000000000000000001000000000000000000100000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,RKHGLXQLUCSVAY-RTWAWAEBSA-N
+C1(=C(C=CC=C1)CCCC#N)NC2=C(CC)C=CC(=C2)[N](=O)=O,A5E3E806CEA45F44_BB36F06712982D26_6041_UN,8.448887,00000000000000000000000010000000000000000100000001000000100000010000001100000000100000000011001000000010000000010010001100101100001001010000001011011011000110111111110,XEVUEPUIKMSXEU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)COCC2)NC3=C(CCN(C)C)C=CC=C3,FA0A1F68B725B1EB_4C1855678EA9EF0A_6041_UN,8.448546,00000000000000000000000000000000000000000000000000000000010000000000000000100000000001100011010000101100010001010001101000100100110011010110001011011111010111101111110,NCRBBGJAJBJJEJ-UHFFFAOYSA-N
+CC1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OCCC3CCNCC3,4A8F83798F30BFE9_18D1658D95B864FF_6039_DP,8.448377,00000000000000000000000000000000000000000000000000000000000000100000000000000000001000100001000000101000100001010000001001000011110010000110000101010011110101101111110,QHGPVEKZEBKHFW-VQTJNVASSA-N
+FC1=C(C=C(C=C1)C2=CN=NC=C2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,CAA7115C0C216E06_9C2B5803DBC76FEF_6041_UN,8.448154,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110001011111101000000111010010101011101100111011110110001011011111110111101111110,QCGVUBAKXRVWTO-SFTDATJTSA-N
+CC1=C(C=C(C(=C1)NCC3C2CCC2CN3)Cl)C4CC4,21E9E0A3F43972B0_4FB9E35AC425A908_7022_DP,8.448093,00000000000100000001001000000000000000000000000000000010000000100000000000000001001100010011000010001001110110010000001001000000110101110110001010010011010110101111010,YUPSYJNMKBZWSF-UHFFFAOYSA-N
+CCSC1=C(C=CC=C1)NC2=C(OC)C=C(C=C2)[N](=O)=O,7ADA236CB54673D7_70F29144F165EBA3_6041_UN,8.448066,00000000000000000000000010000000000000000000000001000000100100011000001100000000010000001001011101000010000000000110000100101111001001010000001111101111110111111111110,VZTFWIORPRKSRK-UHFFFAOYSA-N
+CC(C)(C)C1=CC=C(C=C1)C4CCCC(OC2=N[N](C)C3=C2CCNC3)C4,6BC2FC0F42658E8F_54704E8BF3A319DF_6035_UN,8.447609,00000000000000000000000000000000000000000000000000001000000000100110000000110001101100100001111111101100110010111100111011101111110010000110011111011101110011101111110,ZBNYHGJKQOLDGR-UHFFFAOYSA-N
+FC1=C(C=CC=C1N[S](C2=C(C=C(OC)C=C2)CCl)(=O)=O)C#N,2762030B9B22FFC5_27AE454134887576_6043_UN,8.447321,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011001011000000011001100001100010000001111001001111000001111101011110111111111110,WNTCKFGWYKDVRP-UHFFFAOYSA-N
+N3CCC(F)(F)C(COC1=CC=C(C(=C1)OCC2=CC=CC=C2)C#N)C3,40E73B3410AAE5AF_2AA52EB74AB2B17A_6003_DP,8.447118,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110111000001101000100101011100001001000111110000100110001111010011110101110111110,TZCKLNWBFNBXRF-UHFFFAOYSA-N
+CC(C)OCC1=CC(=CC=C1)NC3=NC2=C(CSCC2)S3,4B20514272F40A55_6DA474FDAAEA9978_7022_UN,8.44711,00000000000000000000000000000000000010000000000100000000000000000100000000100100010100101001000010100100011001010000101011000110110001010110001011010101110111101111110,LWCITHLFIMUELS-UHFFFAOYSA-N
+COCOC1=CC(=CC=C1)[S](=O)(=O)NC3=CC2=C(C=C[N]2CCN(C)C)C=C3,7E21E13C57AF4CA4_63B9C7148C090B61_6026_UN,8.447103,00000000000000000000000000001000110000000000000000010001001111001101010001110001110101101000011010001110011001011101111001111111001001011110111101111101110111111111110,BDDOMRGKPXUXBJ-UHFFFAOYSA-N
+COC3(CC(COC2=C1C=CN=CC1=CC=C2)(CN)C3)OC,773AD1C58D41620F_B4F4F251F35067B1_6035_DP,8.446044,00000000000100000000000000000000000000000000000000000000000000000110000000000000001010000010010001101100010001001100100001010111100010000110001101100101110101111111110,QHYJJBZAILCUOQ-UHFFFAOYSA-N
+N4CCC3(CC(OCC1=NC(=NO1)C2=C(C)C=CC=C2)CO3)CC4,5D9A353CEC206D4B_6434B6026F4676B8_6039_DP,8.445916,00000000000000000000000000000000000000100000000000000000010000100110000110000101001100100101101111101010110001111000011011001111110010000110001111110011110111111111110,CXXGDSYOPRBMAB-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NC2CCCCC2N(C)C)F)C#N,07FE4C17CDEDCDFA_F4AD380C590B6481_6041_UN,8.445809,00000000000000000000000000000000000000000110000000000000000000000000000000100001000001110011010000000000100110010000101000100000110001110000011011011111000010101111010,UOJQPSVPLSLGOB-UHFFFAOYSA-N
+CC1=C(C(=CC=C1[N](=O)=O)NCCC2=CC=C(OCCCC)C=C2)[N](=O)=O,BF434D55CC0C92D4_9A5CE7A796772FA3_6041_UN,8.445734,00000000000000000000000010000000000000000000000001000000100000010000001100000001101000000000001001001010100001010111101100101111001011011010101111111111110111111111110,UXOMURBAGAWPAU-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)OC3=C(C=CC(=C3)[S](=O)(=O)Cl)Cl,1F9DD90297055DBC_35A07551BF5E59ED_7022_UN,8.445617,00000000000000000000000000000001000000000000000000010001001111001001000001100000010001111000010000000111011100001100000000101111001001111000000111101110100011111111110,DKGZLRBXLDAIRJ-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)OC3=C(C=CC(=C3)[S](=O)(=O)Cl)Br,751198F96AD890D2_09154F0238812173_7022_UN,8.445603,00000000000000000000000000000001000000000000001000010001001111001001000001100000010001111000010000000111011100001100000000101111001001111000000111101110100011111111110,OAAPDQRHYFYVPA-UHFFFAOYSA-N
+C[N]1C=NC2=C1C=CC(=C2)NCCCCC3=CC=C(C=C3)[N](=O)=O,F3F0C2CF133F5430_715AF8AD825C5611_6041_UN,8.445375,00000000000000000000000010000000000000000000000001000000100000010100001100010101101101000011011010001110110000010000001111101100011001010100001001011001010110111111110,BDBZPMFHXYGNKH-UHFFFAOYSA-N
+N(CC1=C(C=CC(=C1)Cl)N2CCOCC2)[S](C3=CC4=C(C=C3)C=C[NH]4)(=O)=O,915E885720AA5D6B_BB11A25409EB4792_6029_UN,8.445358,00000000000000000000000000000000110000000000000000010001011111101101010001010000111101111000001110101111011101011000011011101100111111111110001011111011010111110111110,HBFPDLOUAAYSMX-UHFFFAOYSA-N
+CC(C)(CC1=CC=C(C=C1)NCC3(C2CCNCC2)CCOCC3)C#N,5F03582FDE28A40E_F9970848C46204DA_6041_DP,8.445345,00000000000000000000000000000000000000000100000000000000010000100010000000100000001000100011000000101000100001011001001011000000110111010110001001010101010111101111110,YBEFJBPJLRYYHA-UHFFFAOYSA-N
+CN(C)C1=NC=CC(=C1)COC(=O)C4=CC3=C(C=C2OCCOC2=C3)[NH]4,494DF04B9CC9F009_567FFDCA7C8DBDAB_6038_UN,8.445141,00000000000000000000000000000000000000100000000000000000010000000100000010100100000101100001010111100100010001000100001011110110000011010110101011111101111111111111110,JGSWPWDUSLBASW-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC2CCC3(CN2)CCCC3,A3B45CE7E67F8637_C06E1022F3A6F2A2_7019_DP,8.444597,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100011000010111000110001011000001011000000110010000110001001010001010111100101110,GWGLBSNEVULRKO-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC=C2Cl)CC3(C)NCC(C3)(F)F,B188509F591B04B1_0C9FCD4B3CAE8CF7_6034_UN,8.444441,00000000000000000000000000000000000000000010000000000000000000000110000000010001001111010011000010001101110110011001101011100100110100100110001000011001010110101111010,FMNJXDMJJMBKRH-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC=C2Br)CC3(C)NCC(C3)(F)F,F062719EB594248A_5BDC05EF11384CB4_6034_UN,8.444431,00000000000000000000000000000000000000000010001000000000000000000110000000010001001111010011000010001100110110011001101011100100110100100110001000011001010110101111010,LPCVVBIGHXPGKS-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CCOCC(F)F,392179A8E79DD4C1_F4E6A3100861CCBB_6034_UN,8.444376,00000000000000000000000000000000000000000010000000100000000000100100000000011000001101100001000110111100110101010010001011100110110010100110001001011001010111101111110,UNNXNWLUQAWTPY-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=NC=C(C=C1)NCC3C2CCCCC2NC3,97F0A8EF2E1514C6_3B6C04FFF1A934B7_6041_DP,8.44428,00000000000000000100100000000010000000000000000000000100000000000100000000100001101100100011010010101100110000011000001011000000110101010110011001011101010110101111010,KNAIZVZYBNQURC-UHFFFAOYSA-N
+COC(=O)CC1=CC3=C(C=C1)C=C(OC2=C(C=CC=C2[N](=O)=O)C#N)C=C3,B82699F3A10E052A_96E7EA122E7CF043_6003_UN,8.444062,00000000000000000000000010000000000000000100000001000000100000010000001100000000000000000100011101000110010000000100100100111111001011011000101111101010101111111111110,AQBCGNNSGGRTLD-UHFFFAOYSA-N
+NC1(C2CCC(C1)CC2)COC3=NC(=CC(=C3)C#N)Cl,C13C1368D61B65E3_B776BEA8D9D5F6B5_6035_UN,8.444045,00000000000000000000000000000000000000000100000000000000000000000110000000000000000010010011100100100001110101111100011001000011110001100100001101010001010111100111110,NOPLGVONKQKPCE-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NCCC2=CC=C(C(C)(C)C)C=C2,900350B803A599CB_F26EBD21154AB738_6041_UN,8.444011,00000000000000000000000000001000000000100000000000000000000000000110000000100100001000100000010100101000100001011101001001010111000001010110011101010101110111111111110,LPYYNDYVMFVORP-UHFFFAOYSA-N
+CC2=C1N=CC=C(C1=CC=C2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,66F15272C5AF403C_B71C6F5C1FA447EA_6041_UN,8.443817,00000000000000000000000000000000000000100000000000000000000000100100000000010101101001100000000000101100010010010010101011100100110001010110001001011101010110101111010,DBNAGYWQQCCAEV-UHFFFAOYSA-N
+N(C1=C(C(=CC=C1)Cl)N2CCOCC2)[S](C3=CC4=C(C=C3)[NH]C=C4I)(=O)=O,668F78B12DC6956A_E0AED15134A13248_6029_UN,8.4437,00000000000000000000000000010000110000000000000000010001011111101101010001010001010101111001001110101111011101011000011011101100111111111110001011111011010011110111110,ZXSCXPPTKPJDKP-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)CCC2)N[C@H]4[C@H](C3=C(C)[N](N=C3)C)C4,47F0AF04E1887117_11EAAF5D3186A7F6_6041_UN,8.443697,00000000000000000000001000000000000000000010000000001000000000100100000000010000100100010011011010000100110110010000001011101100010001110100001010011111000010101111010,DUAYKFWKRRMPBZ-XJKSGUPXSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=C(C=C2)Br)N4CC(C3=C(OC)C=CC=C3Cl)OCC4,5E83B4510E9208A9_5F0BF52BE8F892C1_6026_UN,8.443636,00000000000000000000000000000000110000000000001000010001011111101101000001010000110100111100011111101111011101011100011011101111111010101110101111111011110011111111110,OHKNSZPVVXQZTD-UHFFFAOYSA-N
+C[C@@H](OC1=C(C(=CC=C1)OC(F)(F)F)Br)C2CC23CC3,0E3EFA9FA45559E1_06B6E7222FC9B117_6035_UN,8.443443,00000000000000000000001000000000000000000010001000000000000000000010000000000000000000010100000000000000011110001100100000000011010000100000000110010010100001011011110,QPIVIYUOMCAEPI-VEDVMXKPSA-N
+C(N1CCNCC1)C2=C3C(=CC=C2)C=C[N]3CCOCCNCCN,3F5C13C1DA985F7A_996A7D2B96D077A6_6034_DP,8.443403,00000000000000000000000000000000000000000000000000000010000000000100000000010001101111100001000110101100110001010000001011100110110110000110001001011001010111100111110,UBHZJOHUGOOZPU-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC=C(N(C)C)C=C3,82EB5F21BEE2284A_EF53BDF580CEF8E8_6035_UN,8.443216,00000000000000000000000000000000000000000010000000000000000000100010000000100000001101110011010111001000100100011100001001100111010011110110001101011101110011101111110,BRTCMEDCNVCSIG-UHFFFAOYSA-N
+CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC3=C(C=C(OC)C=C3)C,A22B37B7FD8D9299_6C41869D7DB3D2F9_6026_UN,8.442862,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000001000011000000010001000001100010000001111001001011000110111101111100011111111110,ICJMMTOTPRTOIM-UHFFFAOYSA-N
+C(C=C1CCOCC1)=CC2=C[N](C)C3=C2C=CC(=C3)Cl,21B103822B0E3C34_974E3F4911D5FDEE_7019_UN,8.442837,00000000000000000000000000000000000000000000000000100000010000000100000000011000000101110000010010110101010101000000001011100100110010100110000001011000010011101111110,BFJZXPPDHLXSAE-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCCC[N]2C=CN=C2C,6DECBAF389765803_653D8D87D2ED04EF_6041_UN,8.442829,00000000000000000000000010000000000000100000000001000000100000010100001100010101101101000010011110001010100010010100101111101111001001010110011110111111110111111111110,ULUCYSHTOCPTPF-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)OCC2)NC3=CC(=C(C(=C3)F)N4CCOCC4)F,67F510FD224478B3_8BAA56B352D4183B_6041_UN,8.442762,00000000000000000000000000000000000000000010000000000000010000100100000000010001000101110001100110101100010101110100011011100100110011110110001011011011010011110111110,GIQHGCOGOQABHA-UHFFFAOYSA-N
+COC1=C(C=C2C(=C1)C5=C(N2CC(N3CCNCC3)C4=CC(=CC=C4)Cl)CCNC5)Cl,3BEF1CDCCA209AD6_FF1BF8AE94A25059_6034_UN,8.442513,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101110001010010101101110100010100001011100111110100100110001111011011110111101111110,PWANDWKACICECR-UHFFFAOYSA-N
+C[N]1C=C(C(=N1)C2CC2)N[C@@H]3CCN(CC)[C@H]3C4=CC(=C(C(=C4)F)F)F,25E3051D25FE6E3A_D9C671728CD32598_6041_UN,8.4424715,00000000000000000000001000000000000000000010000000001000000000100100000000010001100101110011011010001000100110010010101011101100110001110110001010011111010110101111010,WBPVXMDXIKEKFR-BEFAXECRSA-N
+O[C@H](CBr)C1=CC=C(C=C1)C2=CC=C(C=C2)NC[C@@H]3CNC[C@H]3C,45F684C64E1274E5_A1AF462DF6125AF0_6041_DP,8.442471,00000000000000000000000000000000000000000000001000000100000000100000000000000000101100100011000010001000100010000001100001000100110111110111001001000011110111101111110,ZNCBBDQIINBJBD-HEFCMCLBSA-N
+COC1=C(C=C(C=C1C)[S](=O)(=O)NC2=C(COC)C(=CC=C2)C)C,A55CADB9A9B51F69_AEFA2B8AB09A458D_6026_UN,8.442341,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000101010011001000010001001001101110000001111001001011000110111101111110111111111110,IKJTXNIJYZWOIQ-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC(F)(F)F)NC2=C(N(C)C)N=C(C=C2)C,8561AD290CD9D7DB_CCE6DE6FA4DF0F92_7022_UN,8.441866,00000000000000000000000000000000000000100010000000000000000000000100000000100101000001100000010001100000001100001100000001100111000001110100011111001111100011101111110,UMYLGGWLDREIBF-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCCOC2CCOC2,87007D3DC3EC6747_F1DFF678AF26B87F_7022_UN,8.441343,00000000000000000000000000001000000000000000000000000000010000000010000010100000001100100111010111001000100001011101001000010011110011010110110110110111110111111111110,SGEGSYPPINWQDA-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OC(=CC4=O)C,8D60D756926A15AD_6EE6927EC3234EAF_6035_UN,8.441237,00000000000000000000000000000000000000000010000000000000010000100010000000000000001100100111000111101100111100011100001011000111010010100110000101110001111001111111110,WAEGMVNJSRXNIQ-UHFFFAOYSA-N
+N2CCC(OC1=CC(=CC=C1)OCC(F)(F)F)(CCN)CC2,43B9B8006D031292_3B0D92A1F5FA766A_6035_DP,8.441094,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010100101000001101000101101011100001001000011110110100110001101010001110101110111110,ZOZZIHKJWAKQJZ-UHFFFAOYSA-N
+CC1=C(C=CC=C1Cl)NCC2=NC=CN2CC3C(CNCC3)(F)F,2800FBAC8E36CD4A_8F5B323996200BE9_6034_UN,8.440981,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101110001000010101001100110011000001011100100110101110110001011011011010110101111010,DNWJZIFPNPXISN-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC2=CC3=C(C=C2)COCC3,1B205567DCA6E340_A320C20AF7AF1C64_7019_UN,8.440883,00000000000000000000000000000000000000000100000000000000010000000010000000000000000000100000000000110100010001001000001010000000110010000110000011010000010101010111110,HCXZLPJLVWPBAG-UHFFFAOYSA-N
+O(C(=O)CCCCC1=CC2=C(C=C1)OCO2)CC3=C(N(C)C)N=CC(=C3)Br,AC9C534A951186FF_F731ACAC760E577C_6031_UN,8.440723,00000000000000000000000000001000000000100000001000000000010000000100000010100100000101110000010011100100010111000100001011110110110011110110101011111110111111111111110,KLOLIJDLCXTRPN-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@@H](CC1)OC2=CC3=C(C=C2)CCNCC3,5DF58C86AFB086F0_D0D1A5651D32E723_6035_UN,8.440031,00000000000000000001000000000000000000000000000000000000000000000000000000100000001001100000010011001100110010010100101001100011110011000110001110011101110011101111110,HSBRNRANVBGHCR-NVXWUHKLSA-N
+N#CC1=CC2=C(C=C1)[N](C=C2)[S](C3=C(C=C(OCOC)C=C3)C#N)(=O)=O,11C5F3AFAE81E599_8ADF9B51C474604D_6029_UN,8.439528,00000000000000000000000000001000110000000100000000010001001111001101000001010000010100101000011010000110011001001101010001111111001000001100101111101010110111011111110,BGXORNXGHMXUIQ-UHFFFAOYSA-N
+O(C1(CC1)C2=CC=C(C=C2)F)CCOC3=CC=C(SC)C=C3,8C153046171D9880_6F75825E6AA6D001_6039_UN,8.439524,00000000000000000000001000000000000000000010000000000000000100101010000010000000010000011000010000000000000101001100001000000111110010100010000101010000110101011011110,HAXOWOZNFHFVNM-UHFFFAOYSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C)C=C(C=C4C)CN5CCOCC5,1C3AA2915C893E93_C4A0B2ECD86ACF04_6035_UN,8.439269,00000000000100000000000000000000000000000010000000000000010000000010000000010000000001110100000100101100010111011100001011100111110010100110000111111110110101111111110,LJDRBXYSXNWHPP-QHCPKHFHSA-N
+C1CC(CCN1)C3=CC2=C(C=CC=C2)N3CC(C)(C)C#N,24F67FD8DD0D599C_4B76C34FA5931D94_6034_UN,8.439218,00000000000000000000000000000000000000000100000000000000000000100110000000110000101101100001000010101100110000011001001011100100110000000110001011011111010110101111010,LNZWYHVONZFFOC-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NC(COC)C3=C[N](N=C3)C,F535ED21C4F67667_78A488733CD1B8E3_6041_UN,8.439145,00000000100100000000000000000000000000000000000000001000010000100110000010010000100100100000011110000000100001011001100011101111000011010110011100101101110111111111110,RGBRBQRZAOKHGR-UHFFFAOYSA-N
+O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)Br)C#N,DB84CE027BCDC879_66B37B0F2CFFF158_6035_UN,8.439037,00000000000000000000000000000000000000000110001000000000000000100000000000000000001100010011000111001000101100011100000001000111010010100100001111000011110011100111110,YGTUSAPLGMHFLA-JKSUJKDBSA-N
+COC1=C(C=CC=C1)N[C@H]2[C@H](CCNC2)C3=CC(=C(C=C3)F)F,6504397539632FD6_0324CFFF67A18533_6041_DP,8.438812,00000000000000000000000000000000000000000010000000000010000000100000000000000001001000110011010100101000100100010100001001000111110101110110001111010011110011101111110,FSOISEFRBPYVPQ-CXAGYDPISA-N
+CC(C)N3CCC(OCC2=C1SC=CC1=CC=C2)CC3,4FC693F9FF579672_9473CCA591BB83F5_6039_UN,8.438719,00000000000000000000000000000000000010000000000000000000000000000000000000110000010101101000000011101100010011010000101011100111110010000110000101011100110111101111110,MLKFNVHFUVLLHJ-UHFFFAOYSA-N
+CC2=C1N=CC=C(C1=C(C=C2)NCCN3CCC(N(C)C)CC3)F,BD248E95D5EE2CCA_32FB40E9EBAA96BE_6041_UN,8.4387,00000000000000000000000000000000000000000010000000000000000000000100000000110001101001110001010000101100110110010000101011100100110001110110011001011101010110101111010,DRDMVADYCPQMES-UHFFFAOYSA-N
+CCOC(OCC)C2=NC1=C(N=CC(=C1)Br)N2CC(N3CCNCC3)C4=CC=C(C=C4)Cl,884C71A56935C669_9361E92E4F947AC0_6034_UN,8.438402,00000000000000000000000000000000000000100000001000000000000000000100000000010101101101110001000110101101110101010010001011110110110000100110001011011111010111111111110,BSZBEJOCLCLVDL-UHFFFAOYSA-N
+ClCC1=C(C=CC(=C1)C#N)N[S](C2=C(C=CC(=C2)OC)C)(=O)=O,A7BFB0ED7B7BC71E_C1040FBA0DE8288B_6043_UN,8.438382,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001010011000000011001000001100010000001111001001111000001111101111110111111111110,CCXNTUAKEBVMHD-UHFFFAOYSA-N
+CCOC(OCC)C2=NC1=C(N=CC(=C1)Br)N2CC(N3CCNCC3)C4=CC=C(C=C4)F,A43850AB3B1985D4_E2FDD781FE525AF2_6034_UN,8.438379,00000000000000000000000000000000000000100010001000000000000000000100000000010101101101110001000110101100110101010010001011110110110000100110001011011111010111111111110,OMABHICFYBWLER-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=CC(=C2)F)CCC3(N)CCC(F)(F)CC3,5E7EF6CE2BD29187_F5851432F8395CF9_6034_DP,8.438371,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111010010000010001100110100011000001001100100110101100110001001011001010110100111010,ADLGQTHKNKTFIO-UHFFFAOYSA-N
+NCCC1=C[N](C2=C1C=CC(=C2)Cl)CCC3(N)CCC(F)(F)CC3,95F1432C8334120A_F7F7C4BA6966C84F_6034_DP,8.438357,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111010010000010001101110100011000001001100100110101100110001001011001010110100111010,WEKBJJASQYXETH-UHFFFAOYSA-N
+CC1(C)CCCC1(N)COC2=C(C=CC(=C2)C3CNCCC3)F,73C7FA1B3ADCD918_4D7C6B627A50C034_6035_UN,8.438316,00000000000000000000000000000000000000000010000000000000000000100010000000100000001010110011000110101000100111011101101001000011110101100110001111010111110111101111110,BFJRCNOQXHJIAE-UHFFFAOYSA-N
+COC1=C(C=NC=C1)NCC(C)(C)C2=CC3=C(C=C2)OCCO3,DDA5800D8AC617E5_E08DC256D949E045_6041_UN,8.437831,00000000000000000000000000000000000000000000000000000000010000000110000010100001001000000000010101101100010001001101001011000111000011010110011111110111110111111111110,ZLEWFOOKVUGTNQ-UHFFFAOYSA-N
+C1(=NC=CC(=C1)N2CCOCC2)NC3=C(COC)C=C(C=C3)[N](=O)=O,74BCCFCD6303B024_4D8B181022AD2ECF_6041_UN,8.437522,00000000000000000000000010000000000000100000000001000000110000110100001100010100100001100010011101101010000001010001001111101110111011010110101011111011010111111111110,SNHRWBVWDOJCMY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2CC#N)CC(C)(C)C3CCNCC3,D1E9945BF7BA043D_61CEF84AD6DA3D09_6034_UN,8.437448,00000000000000000000000000000000000000000110000000000000000000000110000000110000001101110001000010101100110110011001101011100100110000100110001001011101010110101111010,IUNJIDNTKSCYAF-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C=C2CC#N)CC(C)(C)C3CCNCC3,0A1E6871AF43DA78_510CD21AA20CD333_6034_UN,8.437444,00000000000000000000000000000000000000000100000000000000000000000110000000110000001101110001000010101101110110011001101011100100110000100110001001011101010110101111010,DUCYZQOIAJSVDB-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C=C2CC#N)CC(C)(C)C3CCNCC3,E985DF35108F37D7_55A49BC119F2BA14_6034_UN,8.437441,00000000000000000000000000000000000000000100001000000000000000000110000000110000001101110001000010101100110110011001101011100100110000100110001001011101010110101111010,XRXIGHIFJDAFPU-UHFFFAOYSA-N
+CC2(OCC1=CC(=CC(=C1)C)C)CCCN(CCC#C)C2,2B926A41D44A2726_F52A9081CBF83910_6039_UN,8.437115,00000000000000000100000000000000000000000000000000000000000000000010000000010000000001100000000100101000000011011001101001100011110010000110010101011100110101101111110,ZVROKMXYIKRZSL-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NCCC2=CC=C(COC)C=C2,114D1CC45751A188_30D53F879EEC246C_7022_UN,8.437102,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000100001011100001010100001010111001100101111001001010010101111111111110111111111110,AYWZJTJHNMPZCS-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)CCC4=NC=C(C=N4)F,1E4F1DFDE723BAC2_FA3233CF01E97562_6038_UN,8.43705,00000000000100000000000000000000000000100010000000000000010000000110000000000100100000010010100000110100110100111100011011000100000011110100001011010001101111110111110,OBKYFDXALWWVTM-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=CC1=CC=C2NC4=CC=C(OC3=CC=C([S](C)(=O)=O)C=C3)C=C4,5646DC3F95BB97AD_A6DD4CCB41444C36_6041_UN,8.436877,00000000000000000000000000000000000000000000000000010001001111001001000001100001010001101000010000000110010000001100000000101111001001011000011111101111100011111111110,SEKNPYNDBUCQEU-UHFFFAOYSA-N
+FC2=C(C=C1C(=CC=NC1=C2)NCC4=CC=C(CN3CCCN(C)CC3)C=C4)F,AF52186D3803EBA9_124BF01C77980D81_6041_UN,8.436591,00000000000000000001000000000000000000000010000000000000000000000100000000010001101001110000010000101100010110010001101011100100110001110110001011011011010110101111010,NASVFQZUDVHHGL-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)N2CCC2)[S](C4=C3OC=CC3=C(OC)C=C4)(=O)=O,0C2E1C3F899AC1DC_BE352777622D2C40_6029_UN,8.436544,00000000100100000000000000000000110000000000000000010001011111101001010001010000010101101100011011001110011000011100011011101111001001011110101101111001110011111111110,KHYWAKJHCVJKKK-UHFFFAOYSA-N
+NC[C@H](OCCC1(CCNCC1)C#N)C2=C(C=CC=C2)F,8C453D7F8D1678C5_00696E42881D8A09_6039_DP,8.4363985,00000000000000000000000000000000000000000110000000000000000000000010000000000000001010110001000100101000100101011000001001000010110110100110001011010011110101100111110,KAYDHSWWZKWKMQ-HNNXBMFYSA-N
+COC2(COC1=CC(=C(C=C1)C(F)(F)F)CN)CCNCC2,0ED643471F97125D_9ADE5046C07734C3_6035_UN,8.436189,00000000000000000000000000000000000000000010000000000000000000000010000010000000001010100001010001101000101111011100101001000011110110100110001111010011110101111111110,DWLJCBALMUKWIL-UHFFFAOYSA-N
+COC(=O)C1=CC(=C(C=C1)NC3=CC2=C(CCNC2)N=C3)[N](=O)=O,B75F50BAB024274E_E7B86E0A630C311D_6041_DP,8.435918,00000000000000000000000010000000000000000000000001000000100000010100001100000001101000100001011001101110110000010000001111111110111101011110101011111011011011111111110,WZRJLIRCSIPRHA-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OC1=CC(=NC2=C1C=CC(=C2)C)C)CCOCC3,F2579E67CDEB18F9_89EA5E62EF4D9BBB_6035_UN,8.435799,00000000000000000100100000000010000000000000000000000000010000000110000000100000000000100100010001100100010001001100001011000111110010000110010101011100110011011111110,KTMSQQWQLKBCIT-UHFFFAOYSA-N
+COCCOC1=C(C=CC=N1)NCCC2=CC=C([Si](C)(C)C)C=C2,D9C0F6F0612D1659_A070B574CCE043A6_6041_UN,8.4356575,00000000000000000000100000000010000000000000000000000000000000000100000010100001001000100001110100101000100001111101111001000111000011010110011111011111010111111111110,GPBSESMYCUVITI-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NCC2=CC=NC(=N2)N(C)C,09B50CFB5E1F81AD_74DCB55E63F9CD59_6041_UN,8.434385,00000000000000000000000001001000000000100000000000000000000000000100000000100101101001100000010100101000001001010101000011110111000001010110011101001101110111111111110,USGRZECLIWFHCI-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC3=C(C=C(C2=CC=CC(=C2)OCC)C=C3)F)C,7BB3C9B108077836_323AA40C1E6BBFD7_6026_UN,8.434337,00000000000000000000000000000000110000000010000000010001001111101001010001000000010000011000011000000010001101001110010000001111001001111000110111101111110111111111110,UUSBENUKPKZAJY-UHFFFAOYSA-N
+CN(C)C4CCN(CC1=CC=C(C=C1)NCC2=CC(=C(C=C2)F)COC3CCCC3)C4,D2A8D1173DE3D972_29143339A06D7043_6041_UN,8.4341135,00000000000000000000000000000000000000000010000000000000000000000000000000110001101101110000010010001000000111010000101001100111110011110110001111011111110111101111110,NFEBRVILIMPYCF-UHFFFAOYSA-N
+COC1(CC3(C1)CNCC(OC2=C(C)C=C(C=C2)C#N)C3)OC,2A151500FBCA4D00_4C9EB6D01F173CC5_6035_UN,8.433928,00000000000100000000000000000000000000000100000000000000000000000010000000000000001000100010010100101000010000001100100001010011100010000110011111100111110001111111110,RIPRNCHILHVBGU-UHFFFAOYSA-N
+NCC3(OC2=CC1=C(C(N)CCC1)C=C2)CCC4=C3C=C(C=C4)F,8F72CC5A81C0B536_EDA18437CED5EB1C_6035_UN,8.43377,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010010011000110001100110100011100001000000111110111100000001111010001110111100111110,LODINKPSHHQPGX-UHFFFAOYSA-N
+FC2=C1C=NC=CC1=CC=C2NC[C@@H]3[C@H](N(CCOC)C(C3)=O)C4=C([N](N=C4)C)C,D4E741960AB4B5C2_5896AB38C1F3A22D_6041_UN,8.433246,00000000000000000000000000000000000000000010000000001000000000100100000000010000101101110010111110101100010101110001111011101111110011110110011111011111011111111111110,HIYFAUBSFKQGNU-ZHRRBRCNSA-N
+CCNCC1=CC2=C(C=C1)N(C=C2)CC3N(C)CCNC3,60A66A73A80A0552_ADB5063C8D2C4470_6034_UN,8.433052,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100011010010101100110000010011101011100100110100000110001001011111010110101111010,BOLRJZLRWWNZIE-UHFFFAOYSA-N
+FC2=C1N=CC=CC1=CC(=C2)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,E8A074D98C4BBDF7_217F0ABAAD2DA537_6041_UN,8.433029,00000000000000000000000010000000000000000010000001000000100000010100001100000000001000010100011100101110110100010100001101101111001001110100001111111011110111111111110,LFEJSGMHLYQYCL-UHFFFAOYSA-N
+NC1=NC(=CN1CC2(C3(C2)CCNCC3)C#N)C4=CC=C(C=C4)C(F)(F)F,55176B29DCFDB686_58FC6FFA05018D4D_6034_UN,8.432921,00000000000000000000001001000000000000000110000000000000000000100110000000010101101111100011000010101000111100011000001011100100110101110110001011011011010110100111010,ATEFFMVDCFJOBJ-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)F)F)F,B0DBDCF67D90F767_C895498D0FE94363_6035_UN,8.432808,00000000000000000000000000000000000000000010000000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000111010011110001100111110,LYMGEZWVPLNILW-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)Br)F)Br,4F9F461BEB4094FD_1E2903B20B0CD23F_6035_UN,8.432806,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000111010011110001100111110,VWTWZUJAEKFVIP-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)F)Cl)Br,9A598ADA2EEFA7D2_5CCA2218BCDA55A8_6035_UN,8.432805,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001001100100011100001001000111010010100110000111010011110001100111110,PNLFRRDXUSTEBY-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)F)Br)F,58B12A15627985F5_8A807FAD46296568_6035_UN,8.4328,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000111010011110001100111110,CHYXXRJVDOSWJZ-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)Br)Br)Br,176E50921F146783_5D53784F4486498E_6035_UN,8.4327965,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000111010011110001100111110,RWXRWNXKBOIMIM-UHFFFAOYSA-N
+O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(N)C=C4I)I,4F84E197E53AE9A6_13A4D75C3A94532B_6035_UN,8.43228,00000000000000000000000000010000000000000010000000000000010000000010000000000000000010010100000010100100010100001100001000000111110011110100000111010011100011110111110,QQLBNXFNCTZDBN-KRWDZBQOSA-N
+O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C(C=C(N)C=C4Cl)Cl,92A706EFFECBDF97_A5AFA37A4650ED3B_6035_UN,8.432265,00000000000000000000000000000000000000000010000000000000010000000010000000000000000010010100000010100101010100001100001000000111110011110100000111010011100011110111110,CBBLINHHYLRJFG-KRWDZBQOSA-N
+CC(OCC1SC(=NC1)N2CCOCC2)(CC3=CC=CC=C3)C#C,0FDD32B62A1BCDAA_C68C8622FD8AF708_6039_UN,8.432169,00000000000000000100000000000000000010000000000100000000010000100010000000010110010101101000000111101000001001011001101111100010110011000110001001011000110111111111110,QQHOSPIFESTWSG-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCC[S]2(=O)=O)NC3=C(OC)C=CC=C3SC,92A862BC29AD79E9_121530A614585993_6041_UN,8.432135,00000000000000000000000000000000110010000000000000010001001111001001000001010000010100101000011110001010001000011100011011101111111011011110001111111111110111111111110,ZIDIHRLQSLTLPY-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)NCCOC2(C)CCOCC2)C#C,C35806FFCEBCB40F_77C143571616D1E6_6041_UN,8.432116,00000000000000000100000000000000000000000010000000000000010000000010000000000000001000110100000100101000100111011001101000000011110011110110000111010011110111111111110,NZEAIYWOOHOBBZ-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)C)C)NC(CN3CCNCC3)(C)C,1EB6ABB6A26DA3BD_5D2F09C953E1E73E_6041_DP,8.4316635,00000000000000000000000000000000000000100000000000000000000000000110000000110101001001100001000000101100110010011001001011100100110101010110011011011111010110101111010,SSLKLSLCBWCPBM-UHFFFAOYSA-N
+COCC1=CC(=CS1)NC2=CC=CC(=C2)[S](=NC)(=O)C,75AF013E51AB525D_1B7E8F0DB035AA2A_6041_UN,8.43166,00000000000000000000000000000000110010000000000000010000001111001001000001000000010100101001011010000010000001001001010100001110001001010100011000001101010111111111110,AUTSFLFJITYISR-UHFFFAOYSA-N
+C1(=CSC2=C1C=C(C=C2)C#N)NC3=C(C)C=CC(=C3)[S](=O)(=O)N4CCOCC4,F142449378B623A9_7FEF653F28F7AEBA_6041_UN,8.431454,00000000000000000000000000000000110010000100000000010001011111001001000001010000010100101000001110101110011001011000011011101100111011011110001011111011010011111111110,XDPZYLXVJWXNGF-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC3=CC=C(OCC2=NC=C[N]2C)C=C3,72790A35FF5A60FF_8CFD161072B7B717_7022_UN,8.431048,00000000000000000000000000000000000000100000000000000000000000000100000000010101000101101001010110000000000001010101100011100111000001010110011111001111110111111111110,AKLDSYMCLWCUKV-UHFFFAOYSA-N
+FC2=C1N=C(N(C1=CC=C2)CC=CC3=CC=C(CC)C=C3)C4CCNCC4,067E0457E4DD41F4_B4924C1A83D35EE8_6034_UN,8.430809,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101110001000010111100110100010010001011100100110000100110001011011011010110101111010,OARQSRJSPIZIJP-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)CNCC23CC3)CC4=CC=C(C=C4)F,BE46E7C304B017D1_728B1F6D5C2337FD_6035_UN,8.430744,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000001101100010101001100000001000111110100100110001111010001110101100111110,HDTYWRZCRGQKJA-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)CNCC23CC3)CC4=CC=C(C=C4)Br,9D286A8E3F1C077B_BA109B798677646C_6035_UN,8.430736,00000000000000000000001000000000000000000000001000000000000000000010000000000000001010110011000001101100010101001100000001000111110100100110001111010001110101100111110,YDGURSHIJYIVQX-UHFFFAOYSA-N
+NCC(COC1=CC2=C(C=C1)CNCC23CC3)CC4=CC=C(C=C4)Cl,66CE43EBEB170688_296F31A8D519606D_6035_UN,8.430733,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000001101101010101001100000001000111110100100110001111010001110101100111110,WOJNJEDMIZYYSR-UHFFFAOYSA-N
+CN(C)C1=CC=C(C=C1)[S](=O)(=O)NCCC2=NC(=CS2)C3=CC=C(OC)C=C3,B6B6DAAB7F05CBEE_EFE3155B14B093E4_6026_UN,8.430706,00000000000000000000000000000000110010000000000100010001001111101101010001100000111101101000011010001010101000011100011011101111001001011100011101111101110111111111110,RNFRITILSYXPPF-UHFFFAOYSA-N
+C[C@H](OC1=CC=C([N](=O)=O)C2=C1C=NC=C2)C3=CC4=C(C=C3)OCC4,59733C0587586FC9_E291250319131F7A_6003_UN,8.43037,00000000000000000000000010000000000000000000000001000000110000010100001100000000000100000000001011100110010001000100001111101111001011010100101111111000110011111111110,SQPWKFJPNCGJHF-LBPRGKRZSA-N
+N2CCC(OCC1=CC=C(SC)C=C1)CC2C3=CC=C(C=C3)F,90077F31F76464EB_DDC06959574FEA31_6039_DP,8.430209,00000000000000000000000000000000000000000010000000000000000100101000000000000000011000011001010001101000100101010000001001000111110010100110000101010001110111101111110,YJBNCRPFIGAJIR-UHFFFAOYSA-N
+CC1=C(C3=C([N]1C[C@@H]2CCNC[C@H]2N)C=CC=C3)C4=CCNCC4,39D18E7A4BEBEB3D_C862F328CBCED849_6034_DP,8.429951,00000000000000000000000000000000000000000000000000100010000000100100000000011001101111100011000010111100110010010000101011100100110101000110001011011011010110101111010,MGRZZHNFXBNVLP-FUHWJXTLSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)F)C)NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,CCDC0695AD10508D_526EC66F41D8FD59_6041_UN,8.429908,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011010010101100010110010001101011100100110001110110011011011111010110101111010,KCIKAFYARZSEJB-HRAATJIYSA-N
+O[C@@H]2C[C@H](OC1=CC(=CC(=C1)Cl)OC(F)(F)F)C23CCOCC3,7FABF36D310E8E1D_6196C9193452EBEB_6035_DP,8.429684,00000000000100000000000000000000000000000010000000000000010000000010000000000000000000110111000000100001111101001100001000000011110010100111100101110000110001010011110,RSIKKINCGFDZLJ-OLZOCXBDSA-N
+O[C@@H]2C[C@H](OC1=CC(=CC(=C1)Br)OC(F)(F)F)C23CCOCC3,D8A3AC731DE305F0_F1B51B32F15F353A_6035_DP,8.429655,00000000000100000000000000000000000000000010001000000000010000000010000000000000000000110111000000100000111101001100001000000011110010100111100101110000110001010011110,GBGSHDJIKVJBSK-OLZOCXBDSA-N
+C1(=C(C=NC(=N1)C2CC2)C#N)NCC3=C(SC)C=C(C=C3)C,CBA49F4B9D7D827D_338AC73C2A8288B8_6041_UN,8.4295025,00000000000000000000001000000000000000100100000000000000000100101100000000000100111000001000010000101000000010000000000011000100000001010100001011010111010110101111010,RVPZXCUBOFLZHP-UHFFFAOYSA-N
+NC4CCC1=C(C3=C([N]1CCOC2CCNCC2)C=CC(=C3)Cl)C4,EE6AA8065926D4C9_608D803D66A9EECC_6034_DP,8.429428,00000000000000000000000000000000000000000000000000000000000000000100000000010000001111110011000111101101110101010000001011100111110111100110001111011001110111100111110,QOACBYVZOYPPAX-UHFFFAOYSA-N
+BrC1=CN=C(N(C1=O)CC3=C2NCCC2=CC=C3)C4CCC4,986C0CC76C7090E9_5A573CEC22F41DAF_6034_UN,8.429421,00000000000100000000000000000000000000100000001000000000000000100100000000010100101101010011100011101100110100110100011011100101100000110110001111011011011110100111110,GGIWSUKLICRQNO-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CN[S](C2=C(C)C=C(C(=C2)CC#N)Cl)(=O)=O)OC,D511BF8A42E4AD3C_57F08AAD2A678AD1_6029_UN,8.429296,00000000000000000000000000000000110000000100000000010001001111001001010011000000011000011000011001001011001110011100010000001111001000101000111111101111110111111111110,UUPFNAYORKZOAN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OC(F)(F)O2)NC4=CC=C(N(C)C3CCN(C)CC3)C=C4,5A50AB8FD6DC3886_4E9DFAF2C7550845_7022_UN,8.429073,00000000000000000000000000000000000000000010000000000000010000000000000010010000100101110000010011101100011110011101101011110100110001110110001011011101110011111111110,AFGDBQYYYNAYSN-UHFFFAOYSA-N
+COCCOC1=CC=C(C=C1)[S](=O)(=O)NC2=CC(=C(C=C2)N(C)C)OC,8A4BAB43A9637CD7_6BEB6686F9407CDD_6026_UN,8.429022,00000000000000000000000000000000110000000000000000010001001111001001010011100000010001101000011101000010001001001101111000101111001011011010111111111111110111111111110,LCMHRTIRRMJCIL-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3C[C@]45[C@](C)(C4)CNC5,144BFC9AA53825FD_F383DF6FB8CEDBC2_6034_UN,8.428797,00000000000000000000001000000000000000000000000000000000000000100110000000010001101101100011000010101100110010011001101011100100110100000110001011011011010110101111010,LDLBMYASJONNOO-OHAXFNJZSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3CC4=C(N)C(=CC=C4Cl)F,5D562080AD8D8606_4A71389E1EA5BEE1_6034_UN,8.428723,00000000000000000000000000000000000000000010000000000000000000100100000000010001101111010011000010101101110100010000001011100100110101110110001011011011010110100111010,OXXUWYJNFMAUTL-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC3=NC2=C(C=CC=C2Br)O3,EEB8B57FF49AC26E_D9B74CF566084071_7022_UN,8.428472,00000000000000000000000000000000000001000000001000000000010000000100000000000100000100111001010110000100011100100101010011000111000001110100001111000111110111111111110,ONMPRNUJKVAWIO-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)OC(CCC2=CC=C(SC)C=C2)=O)C3,2EB6B2D9D7CA0E93_C50A8FA5602EA306_6038_DP,8.428345,00000000000000000000000000000000000000000000000000000000000100001000000000000000011000101001010000101100110000010100001001010111110010000110000111010001111101111111110,OCOLUYQYEYJDBT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCCC2)C#N)NC[C@@H]3CNCC(O3)(C)C,776CD04563328BD6_EA48D970ED9FFA77_6041_DP,8.42825,00000000000000000000000000000000000000000100000000000100010000100010000000100000101000100010000100101000000010001001001011000000110111010110001001010101110111101111110,UICSZXKPKLGXRP-SFHVURJKSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC(=C(OC)C=C2)SC)C#N,921419FAB83B3D59_1CB32927581A63C4_6026_UN,8.427669,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001000011000000010001000001100010000001111001001011000111111101111100011111111110,ZOIFBWUNEQONGP-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NCC4OC5=C(CC4)C=C(C=C5)F,6854BCFD7226EB01_B211FFBCE86C2353_6041_UN,8.427351,00000000000000000001000000000000000000000010000000000000010000000000000000010000001001110111000101101100010101010100001011100111110011110110101111111001110111110111110,ANLVJONLBAUULD-UHFFFAOYSA-N
+CC1=C([N](=CC=C1)=O)NCC2=C(OCCN(C)C)N=CC=C2,BD74F54F2253E460_0079D32EAD27AE5E_6041_UN,8.427349,00000000000001000000000010000000000000100000000001000000000000000100000100110100101001100000111101101010000011110101111011101111100011010110011111011111010111111111110,RFRYGSIOJWWUDT-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)OC(C2=C(COC)C=CC=C2)=O)C3,A6FE55FB12DB7708_E3B8B04148A480F3_6038_DP,8.426679,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001010000101100110001010101001001010111110000000110000111110011111101111111110,IIXUYBRHIZPZSZ-UHFFFAOYSA-N
+CCOC1=CC2=C(C=C1)CN(CC2)[S](C3=CC4=C(C=C3)SC=C4)(=O)=O,BDFAE915F80B9D36_8C144E6A0E72F313_6029_UN,8.42636,00000000000000000000000000000000110010000000000000010001001111001001000001010000010100101000001010101110011001011110011011101111111000001110000111111000110111111111110,GIHDEOBVHAPBBU-UHFFFAOYSA-N
+N(CCC1=NC=CS1)C(C3=CC2=C(N(C)C)C=CC=C2S3)=O,0A1BA6C957DD53DF_84A8E934227B71F7_6038_UN,8.426337,00000000000000000000000000000000000010000000000100000000000000000100000000100000111101101000110010001100110000110000011011100100000001010100001000011101011110101111110,UFYMNNJKEYXUGZ-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)N[S](C3=CC=C(C=C3)[N+]#[C-])(=O)=O,EF9C4400ED0C359A_83F5709AB52D8CFD_6029_UN,8.426319,00000000000000000000000000000000110000000100000001010001001111001101010001010000010101001000011010000110011000001000010001101100001001011100001001001001000010111111110,RREBPQXUWAXMAR-UHFFFAOYSA-N
+ClC1=CC=C(C=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]5CC4=C(C=CC=C4)CN5,633051B80D8F5B57_1104767C90BBD4F5_6034_UN,8.426259,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101010011000010101101110100010000001011100100110100100110001011011011010110100111010,CVYQVKOZAGZFBH-VQCQRNETSA-N
+COCCOC1=NC=C(C=C1)NCC2=CC=CC(=N2)N(C)C,72717AA7609A3E5A_0B1272E670062C70_6041_UN,8.426243,00000000000000000000000000000000000000100000000000000000000000000100000010100101001001100000110000101000000001110101111011100111000011010110011101011101010111111111110,OIPAJKBEPVEPNJ-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3CCNCC3)CC4=CC(=CC(=C4)NC)Cl,B32FB93CB20EF639_D737C88F227E44B8_6034_UN,8.425977,00000000000000000000000000000000000000000000000000000000000000100100000000010000001101110001010010101101110100010010001011100100110101110110001001011101010110101111010,PGCIAQBHEOFUSJ-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)F)NC(=O)C=CC2CCNC23CC3,499A2E84EDDB7671_A4B10AD4E2F447A6_7019_DP,8.425389,00000000000000000000001000000000000000000010000000000000000000000010000000000000001100010011100010011000110100111000011001000000110101110100001000010001011010100111110,PNEXMHGVZRSRHX-UHFFFAOYSA-N
+CC(=C)[C@H]1CCC(=CC1)COCC3CCC2(CCNCC2)O3,83A0D6281819AA3B_B31E42CC9BC5D86E_6039_DP,8.425344,00000000000000000000000000000000001000000000000000100000010000000010000010001000001100100001000011111000110011011000101011000010110010000110000001010001110101111101110,QNHKTVLVWOEQRW-QNSVNVJESA-N
+COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC4=C3CCNCC3=C(C=C4)[N](=O)=O,1443050D8C5936F6_97397C75FDA2EC5D_6003_DP,8.425114,00000000000000000000000010000000000000000000000001000000100000010000001100000000101000100001011000101110110001010100001101111111111001011110101111111001111111111111110,FEXNMRHKWYSQBA-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCN(CC2)C3CC3)NCC4(CCC(C)(C)CC4)C,33F4F7C06C64873E_7C8545A2645D533C_7022_UN,8.424687,00000000000000000000001000000000000000000000000000000000000000100010000000110001001001100011000000101000000000011001101011100000110001010110011001011101010110101111010,JNQSUNPYJQPFPQ-UHFFFAOYSA-N
+O(C(=O)C1=C[NH]C2=C1C=CC(=C2)[N](=O)=O)CC3=CC4=C(C=C3)OCC4,88FF848B7C6FDFC7_D0549CCA71ED802A_6031_UN,8.424276,00000000000000000000000010000000000000000000000001000000110000010100001100000000100100000000001011000110010001000100001111111110101011011110101011111001111111110111110,PUDFYVLWFNMKFT-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)CCF)[S](C2=CC=CC3=C2CCN(C)C3)(=O)=O,0DADF70B1A3EB688_A4C74C00FB333321_6029_UN,8.424255,00000000000000000000000000000000110000000010000000010001001111001001010001010000010001101001011000101110011000011001111001101100111001111110001011011001010110111111110,NJTRJMQVLMNNEN-UHFFFAOYSA-N
+N3CC(COCC1=CC2=C(C=C1)OC(C)(C)C2)(C3)C#N,BBD1CEBF492C62D2_AF490B3516CE8D6F_6039_DP,8.424218,00000000100100000000000000000000000000000100000000000000010000000010000000100000101100100010000011001100010001001101000011000010100010000110001010000101110101111111110,ADEUPPVRDKNKCZ-UHFFFAOYSA-N
+COC1=C(C=C(C=N1)[N](=O)=O)NCCC2=CC(=C(C=C2)F)C,C4ED8C93661BFE03_C035204E19BE251B_6041_UN,8.424185,00000000000000000000000010000000000000000010000001000000100000010100001100000001101000010000111101101010100110110100011101101111001001110100001111111111010111111111110,IDUQRWNBPKSLSM-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC3=C2CCC(C2=CC=C3)=O,8A1C1E978F83BF1A_78F544967B6614F8_6041_UN,8.42366,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000011111011100110010000100100011101101111001011011100101111111011101011111111110,QAYWJAHTTCDXOP-UHFFFAOYSA-N
+COC2CNC(C)(COCC1=CC=CC(=N1)N(C)C)C2,58FA07E954C65671_30358C52ECD62622_6039_DP,8.423607,00000000000000000000000000000000000000100000000000000000000000000110000000100100001101100011010111101000100011011001100011100011110011010110011100001101110111111111110,IOSXBRJQYFGLKP-UHFFFAOYSA-N
+IC2=CN(C1=C(CNCC1)C2=O)CC4(CC3=CC=CC=C3)CCCNC4,FD9CD7975E8CD29D_803E135F271CD388_6034_UN,8.423282,00000000000000000000000000010000000000000000000000000000000000000110000000010000101001110011000001101100110100011100001011100101110100100110001111011011111110100111110,QMFPEOYMLNZOIW-UHFFFAOYSA-N
+CSCCNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCC3,27B579397CCF7586_4C8633ADBE554876_6038_UN,8.422898,00000000000000000000000000000000000010000000000100000000010000100100000000000000111100101000110011001100110001110101111011000100000010000110001010010001111111111111110,GWHIGPUPLXMIDR-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(N=CC=C1)C#N)NCC3=CC2=C(C=C(OC)C=C2)C=C3,BEC6B9EBEF49AA77_C6C7F3AE6F41464B_6026_UN,8.422848,00000000000000000000000000000000110000000100000000010001001111001101010001000001111000001000011001101110011000001100010001001111001000001100001111101011110111111111110,RRVJYVKNBRWDGK-UHFFFAOYSA-N
+CC1=C(C(C2=C(N1)C=CC(=C2)C3=C(C=CC=C3)CN4CCCCC4)=O)C,4A8D29D67806468C_FEB145BD0A46CE19_6004_UN,8.422788,00000000000000000000000000000000000000000000000000000000000000100100000000010000000001100000000001101100010000010100001011100101110000000110001111011111111110101111110,KNFKVURZDWKYIN-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=C(C=CC=C1)OCC2CNCC3(O2)CCC3,D4C7A7147F214212_450AC4371FA8F796_6039_DP,8.422554,00000000000100000100100000000010000000000000000000000000010000000010000010100000001000100011010101101000010001001100001011000011110010000110010111011111110101111111110,BRXCYLLVDUYJOH-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1SC=CC1=CC=C2)N4CC(C3=C(OC)C=CC=C3)OCC4,61C50B9EC086A99C_B664C2A7E953CED8_6026_UN,8.422478,00000000000000000000000000000000110010000000000000010001011111101001000001010000010100101100011110101110011001011100011011101111111010001110100111111010110011111111110,HPTNRXZTDYDYLV-UHFFFAOYSA-N
+CCSC1=C(C=CC=C1)NC2=C(OC)C=CC(=C2)[N](=O)=O,626E587DE35B55C0_6C442E8DA7562868_6041_UN,8.422442,00000000000000000000000010000000000000000000000001000000100100011000001100000000110000001001011100000010000000000110000100101111001001010000001111101111110111111111110,ZPMRBBABWFQVBL-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COC2CCOC2)NCC(N3CCCC(CC)C3)(C)C,373B03A5E2873EDE_6A6E58A364CA72C6_6041_UN,8.422438,00000000000000000000000000000000000000000000000000000000010000000010000010110001001101100101000010101000000011011011101011100011110011010110011101011101110111111111110,IVBNHSNQVGGEEP-UHFFFAOYSA-N
+O(CC1(F)CNCC12CCC2)C3=CC(=C(C)C=C3C)N,A4BF3BCF1E567C6F_EAE7AED342C7A808_6035_UN,8.421919,00000000000100000000000000000000000000000010000000000000000000000010000000000000001110110011000011001000010111001100001001000011110101110110001110010111110111101111110,IDLXJPFXHSAYLL-UHFFFAOYSA-N
+N3CCC(CC=CC2=CC=C(C1=CC=C(CC)C=C1)O2)(CC3)C#N,CB5384B2C027F81B_4215CA23AF58EF04_7019_DP,8.42185,00000000000000000000000000000000000000000100000000000000010000100010000000000000001100100001000010111000100000011010001011000100110000000110001001010001110100101111110,GDOHKIWDENDOSX-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)NC2=C(C[S](C)(=O)=O)C=CC(=C2)Cl,70D229E31CFAF046_B13446732B4D0CE6_7022_UN,8.421788,00000000000000000000000000000000000000000000000000010001001011000001000001000000000000111010010101000011000100001101000000001111001011111000110111101111110111111111110,KABPXTLIWWYHRI-UHFFFAOYSA-N
+CC(C)(N)CC1=C[N](C2=C1C=CC=C2Br)CC3COCCN3,A5716604076CF55A_1CB3F111E3AC894B_6034_DP,8.421639,00000000000000000000000000000000000000000000001000000000010000000110000000110001001111110001000111101100110101011001001011100100110110100110001001011101010111101111110,LNCKMCRQHJBIPQ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C#N)NC2=CC(=C(C=C2)F)N3CCC[S]3(=O)=O,4B4D0751CB59891D_47A02ED1904E991E_6041_UN,8.421591,00000000000000000000000000000000110010000110000000010001001011100001000001010000110100011000011011001010001100011100011011101111011011111110001111111011110011111111110,GPVAHDNOZMRJRG-UHFFFAOYSA-N
+COCCC1=CC(=C(C=C1)OC)[S](=O)(=O)NC3=CC2=C([N](C)C=C2)C=C3,1418B0AE2DA4144D_72685E19D56563D3_6026_UN,8.421557,00000000000000000000000000000000110000000000000000010001001111001101010001010000010101101100011011000110011001001101111001101111001011011100111111111111110111111111110,BJBGTFWIKGKQIT-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C(=C1)C#N)NCC[N]2C=CC3=C2N=CC=C3)F,8C593C786293A1E7_4860D3A3D647B790_6041_UN,8.421511,00000000000000000000000010000000000000100110000001000000100000010100001100010101101101010000001010101110110100010000001111101100001001110110001011011011010110110111110,YIPOJCHLGGXUMV-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)NC4=C(C)C=CC=C4F,DCE50C00615B5328_D05C43BF29B5A16B_6041_DP,8.421241,00000000000000000000000001000000000000100010000000000000000000100100000000010100101101110011000010101100111100010000001011100100110101110110001011011011010010101111010,BJGCCSLDQFGOBO-KGLIPLIRSA-N
+CN(C)CC1(CNCCC1)OC3=C2N=CC(=CC2=CC=C3)Br,46FAE101FE80CAD4_20158875102086DA_6035_UN,8.421236,00000000000000000000000000000000000000000000001000000000000000000110000000100000101001110011010100101100110110011101001011100111110010100110001101011101110111101111110,PYKJQBIKGHIGBL-UHFFFAOYSA-N
+FC(F)(F)C1=CC(=CN1CC2=C(C=CC=C2)CC3CCNCC3)C#N,B879EDDD33C8ED64_A709879317D7090C_6034_UN,8.420988,00000000000000000000000000000000000000000110000000000000000000000100000000010000101101100001000010101000101100011000001011100100110000100110001011011011010110100111010,MAIRAGORNCOGIL-UHFFFAOYSA-N
+COC1(CC5(C1)CNCC(OC2=CC(=CC=C2)CNC4=C3N=CC=CC3=CC=C4)C5)OC,648A593A6F337F1B_364DF95A322DD027_6035_UN,8.420784,00000000000100000000000000000000000000000000000000000000000000000110000000000001001000100010010100101100010000001100100011010111100111010110001101100101110111111111110,NNXVRYCTHJOEMM-UHFFFAOYSA-N
+C1(=C(C=CC=C1)CN2CCCC2=O)NC3=CC=CC4=C3C=C[N]4C,38565B96ECD613BA_8F95D74ED78AE0F2_6041_UN,8.4203415,00000000000000000000000000000000000000000000000000000000000000000100000000010000100101100010110010001100010000110000011011100101110011010110001111011011011110101111110,FUAKHLJOBPAGDN-UHFFFAOYSA-N
+COC3(COCC1=CC2=C(C=C1)OCCO2)CCNC3,CE0364CA9C4DD542_30881867CF05A17D_6039_DP,8.420302,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100011010111101100110011011100101011000011110010000110100111110001110101111111110,JMWLBXHAUPMABK-UHFFFAOYSA-N
+CCOC(OCC)C2=NC1=C(N=CC(=C1)Br)N2CC(N3CCNCC3)C4=CC(=CC=C4)Cl,67E4D0E8294EAC66_CDD787C0ECD6C7ED_6034_UN,8.419846,00000000000000000000000000000000000000100000001000000000000000000100000000010101101101110001000110101101110101010010001011110110110000100110001011011111010111111111110,SEJUVXWSIFNEHG-UHFFFAOYSA-N
+C1CNCC(C1)C3=CC2=C(C=CC=C2)N3CCN4CCOCC4(C)C,9A96812B12ABCE37_698C4C3A46C2075E_6034_UN,8.419259,00000000000000000000000000000000000000000000000000000000010000100110000000110001101101100011000110101100110011011001101011100100110010000110001011011111010111101111110,QTOJKFVLCXSVMF-UHFFFAOYSA-N
+OC(=O)C1=C(N=CC=C1)OC2=C(C=C(C=C2)F)NCCCC(OC)(C)OC,0511071C1E4A7511_BB2B3E6F41F8827C_6041_UN,8.419109,00000000000000000000000000000000000000000010000000000000000000000100000000000000001000010110110101101000100110111101111001010111000111110101111111110111111111111111110,WVBYKIPDWDNIET-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=C(OC)C=CC=C3Br,C47810589DD50259_2D92A6C8CC46E688_6035_UN,8.419005,00000000000000000000000000000000000000000010001000000000000000100010000010000000001100110011010111001000100100011100001001000111010010100110000111010011110001111111110,ACCVEOMSYJLLNM-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)F)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC,D9447B79A0E0549F_98B14F7ABD9C6DEC_6026_UN,8.418765,00000000000000000000000000000000110000000010000000010001001111001001010001000000011000011100011001001010101110011100011000001111001000101000110111111111110111111111110,UXCQKTBTHUIIIR-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)Br)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC,C84B292B2D877B0E_5D7E706A9BC28ABE_6026_UN,8.418765,00000000000000000000000000000000110000000010001000010001001111001001010001000000011000011100011001001010101110011100011000001111001000101000110111111111110111111111110,IJNJBEJNBSKWEG-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NC3=CC(=C(CC)C=C3)[N](=O)=O,04352074D935734F_B282CF06A3E3AD00_6041_UN,8.418745,00000000000000000000000010000000000000000100000001000000100000010100001100000000100000000000001000100110010000000010000101101100001001010100001011001011000110111111110,XUHXZRNMLFEQPA-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)Br)F)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC,FFB2E8B70DA72FE0_48F894932E6ED86D_6026_UN,8.418729,00000000000000000000000000000000110000000010001000010001001111001001010001000000011000011100011001001010101110011100011000001111001000101000110111111111110111111111110,UKSUTGONUFQNHT-UHFFFAOYSA-N
+NC[C@@H]1[C@@H](CCC1)OC2=C(C3=C(C=C2)C=CC=C3)CN4CCOCC4,FA799F5F36E51CDF_725B82E319D60FFC_6035_UN,8.41852,00000000000000000000000000000000000000000000000000000000010000000000000000010000001011100011000111101100010001010100001011100111110010000110001111011011110101110111110,HPKDNVQXKWKQMB-YLJYHZDGSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NC3=C2C=CC=NC2=C(C=C3)[N](=O)=O,0806DFBC1896ECF9_9B0E528BDBF3066C_6041_UN,8.4185095,00000000000000000000000010000000000000100000000001000000100000010100001100000101100000000000001001100110010000000000000111101100001001011100101011101011000010111111110,AOQAPGNOWLOCMQ-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC2=CC3=C(C=C2)OCCO3,5C2C56AC5E11492F_9701857B13649EF3_7022_UN,8.417911,00000000000000000000000000001000000000000000000000000000010000000010000010100000001000100001010100101100110001011101001010010111000011010110110111110111110111111111110,XCJAQSHBTGZGNM-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC3=C(C=C2)C=CN=C3Cl,52B4CEE3B9A64C9E_9E6DCB47D7B2E7D9_6035_UN,8.417464,00000000000000000000000000000000000000000000000000000000000000000110000000100000001001110001010101101101110110011101001011100111110010100110001101011101110111101111110,BKVXMNLDNPLNEL-UHFFFAOYSA-N
+O(C(=O)CCCCC1=CC2=C(C=C1)OCO2)CC3=C(N(C)C)N=CC=C3,D5ECE46421FFCA3F_9C113CC1D5AD2ED9_6031_UN,8.417276,00000000000000000000000000001000000000100000000000000000010000000100000010100100000101100000010011100100010011000100001011110110110011010110101011111110111111111111110,IAGMXPXNSWTPFE-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NCC2CNC3(CO2)CCC3)F,1B38012B5183113C_ADBEFA60DB4A1C88_6041_DP,8.417005,00000000000100000000000000000000000000000110000000000100010000000010000000100000101000010011000100101000110101011000001011000000110111110110001011010111110111101111110,KPYMUTPTQVDMLN-UHFFFAOYSA-N
+C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCC1CS1)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,2A88B336D31D7221_543E84CD78573417_6039_UN,8.416923,00000000000000001000001000100000000010000000000000100000000000100110000000001000010000001000000010110100010011001001101011000011110010000110000101010110110101001111110,IGRXCZPBPJYFIV-QGEPFEHVSA-N
+N4CCC1=C(C(=CC=C1)COC3=CC2=C(N(C)C(=O)C2)C=C3)C4,9F79B95292F7C426_9056FD7A02B68BE6_6035_DP,8.416687,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100001110010101100110011110100111011100111110010010110001111011011111111111111110,UTGJKORSXQZFLR-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)C)[S](=O)(=O)F)NC3=CC2=CC(=C(OC)C=C2C=C3)OC,169C906E7BCB278F_04F650F428ED020A_6041_UN,8.41667,00000000000000000000000000000001000000000010000000010001001111001001000011000000010000001000010000000110011100001100000000001111001001111000110111101111100011111111110,VKBYLHUWDFKXJA-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=C(SC)C=C(C=C3)C,BC92453F04AD48E5_F8026CF6AA2816B1_7022_UN,8.416562,00000000000000000000001000000000000000000110000000000000000100101010000000000000010000011000010000000000000100001000000000000100000001110000001011010111000010101111010,IKVHYXGIZGAOPW-UHFFFAOYSA-N
+O(C1(CCNC1)C(F)(F)F)C3=C2N=CC=CC2=C(CN(CC)CC)C=C3,C2E4E3A519335224_65C894ED72134B5E_6035_UN,8.4165535,00000000000000000000000000000000000000000010000000000000000000000110000000000000001101100011000111101100111100011110101011100111010010100110001101011101110111101111110,PQFBFSLNGDMJKI-UHFFFAOYSA-N
+C[Si](C)(C)C#CCOC1=C(C=C(C=C1)CN2CCNCC2)Cl,04543CA789502F9C_27578B2B8ACF4DC8_6035_UN,8.416328,00000000000000000100100000000010000000000000000000000000000000000000000000110001001001110001010000101001100111011100001011100011110000100110011111011111110101101111110,NMVUWGSNFHQFLF-UHFFFAOYSA-N
+CC3(C)CC(OC1=NC=NC2=C1C(=N[N]2C(C)(C)C)Br)C4=C3C=CC(=C4)N,E409A0C02F156134_FC890E11F6BBE606_6035_UN,8.416054,00000000000000000000000000000000000000100000001000001000000000000110000000110101100110010000101011100100010100101101010011101111000011110100011111001101100011101111110,OMPCPJQUWYUFIG-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COCCC#N)NCC2(COC)CCNCC2,3E44ACD8286560CA_3CFC2E4CFEE603B1_6041_DP,8.415963,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100011010001101000100011011001001001000010110111010110001001010001010111111111110,SLHVGPGVOZUVJU-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(OC)C=CC=C2C,0D465053DEB3B775_313FB5609CC40C0B_6041_UN,8.415878,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000111101100010000000100100010101101111001001010100111111101111100011111111110,NXLQISYTOSGTAZ-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NCCC2=C(OC)C=CN=C2)[N](=O)=O)C#N,89219016B1EFBFCE_8EA8509D47B75D1F_6041_UN,8.415606,00000000000000000000000010000000000000000100000001000000100000010100001100000000101000000000011001101010100010010100001101101111001001010100001111111111110111111111110,GPQNDEMNHSBSBR-UHFFFAOYSA-N
+COC2=C1C=C(N=CC1=CC=C2)NC3=CC=C([S](N(OC)C)(=O)=O)C=C3,41664F55EDF3C87C_12955F667AEB4515_6041_UN,8.415326,00000000000000000000000010000000110000100000000000010001001111001101001111000100010000001000011000100110011000001100010001101111001001011100111101101101100011111111110,SFBSOVVZSADAFI-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)N[S](C2=C(C=CC(=C2)CC)C#N)(=O)=O)C,6F52047BE4406CE0_94F463EA35034F9A_6029_UN,8.415297,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001000011000000010001000001110010000001111001001011000011111101111100111111111110,RALQDYZMANNGCB-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OCCC2)C(=O)C3=NC4=C(C=C3)C=CC(=C4F)Br,F4ABD7444620B534_572F464457F74364_6038_UN,8.41525,00000000000000000000000000000000000000000010001000000000010000000100000000000001000000010001100100100100010101100100011011000100100011110100001011010011111011110111110,WUBODEVKSHPFCL-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)OCCC2)C(=O)C3=NC4=C(C=C3)C=CC(=C4Br)F,ED5DE226951B1583_80CFDD5F1E95A67F_6038_UN,8.415239,00000000000000000000000000000000000000000010001000000000010000000100000000000001000000010001100100100100010101100100011011000100100011110100001011010011111011110111110,JVHWPBCGMNQKMB-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NC(C)(C)C3=NC=NO3,CE2C8E5A404E7AD5_3FAD6C9B89DFFB8F_6041_UN,8.415209,00000000000000000000000000000000000000000100000000000000010000000110000100100101100100000000101111000110010000101000010011001100000001010100001001000101000010101111110,RHWWXAHCPXDOBT-UHFFFAOYSA-N
+N1CCC4(CC1)CCC2=C(C=CC(=C2)NC(C3=CC=C(CC)C=C3)C#N)O4,4A9007138A105ED9_6732FE53A70C3AA5_6041_DP,8.415081,00000000000000000000000000000000000000000100000000000000010000000010000000000001001000100001000001101100110000011110001011000100110111010110001011010001110111101111110,WDBOAFHTWPXYRY-UHFFFAOYSA-N
+CC1=CSC2=C1C(=NC=C2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,FF26149C8ACC64E8_7EC8D4D0A2BB0C98_6041_UN,8.414572,00000000000000000000000000000000000010100010000000000000000000100100000000010101110101111011010010101100110110010001101011100100000001110100001011011111010010101111010,MMZCMIUAPLXRCO-QAPCUYQASA-N
+N(C1=CC=C(C=C1)OCCF)C(C2=CC=CC3=C2CNC3)=O,115BEB52FDE65958_1422E4F426FB94D8_6038_DP,8.414543,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100100001100010001100010001100100011001000111010111110110001111010001111111110111110,CAFSDRFCTHTCGV-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1C[C@@H]2CNCC2)C=CC=C3)C4,42E6BB2DABE6016D_EABF46192C02C7CB_6034_UN,8.414399,00000000000000000000000000000000000000000000000000000000000000000110000000110000101101100011000010001100110000011001101011100100110000000110001011011101010110101111010,HFLDJWJOOPACJF-AWEZNQCLSA-N
+N2CCC(OC(=O)CSCC1=CC=C(C=C1)C#N)C23CCC3,AB15797CD107BB9E_5BEBCE6D56CF8A7F_6038_DP,8.414244,00000000000100000000000000000000000000000100000000000000000000000010000000000000001100101011000111001000110000011000001001010011110010000110001100010001111111110111110,SYELEYVGWUUCCE-UHFFFAOYSA-N
+C2(=C1C(COCC1=CC=C2)=O)NC3=C(N(C)C)C=CC(=C3)F,29DA5FC453AE30D1_16DD26088E6365E7_6041_UN,8.414143,00000000000000000000000000000000000000000010000000000000010000000000000010100001000001110001010001100100010101000000000000100101100011110110001111001111111011111111110,ORMBDBWQKVYSJD-UHFFFAOYSA-N
+COC1=C(C(=C(C=C1)CN[S](C2=CC(=C(C=C2)CCl)C)(=O)=O)C)OC,A861C9DCF62F2B59_4E2FDA73D9C3CABD_6029_UN,8.4141,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000001000011000001011001000001100110000001111001000101010110111101111110111111111110,OCDPXIYSGSBNES-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)F)N[C@@H]2CNC[C@@H]2CC3=CC=CC=C3,EA022FDA5CBD7328_842D0C891A54D924_7022_DP,8.4140625,00000000000000000000000000000000000000000010000000000110000000000000000000000001101100110011010110001000100100010100000001000111110101110110001111000011110111101111110,NJAAYKQHXWXTCH-WMLDXEAASA-N
+CC1=CC(=C(C#N)[N]1C)NC2CCN(C)C23CCCNC3,DAE05DE4BFBE6A82_687E3528D4F98EE5_6041_DP,8.41406,00000000000000000000000000000000000000000100000000000100000000000110000000010001101101100011010010101000110010011001101011100000110101010110011010011111010010101111010,BJIDVYADXGXDFP-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C3=C2CNCC3)C[C@@H]4C[C@H](C)CCN4,F1069BCC882E6CAC_4F23A5D307F1A2CF_6034_UN,8.413897,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100001000010101100110010010001101011100100110100000110001011011101010110101111010,GHYMFDMNWLMGAV-CABCVRRESA-N
+CC3(COCCC1(CCNCC1)C#N)CCN(CC2=CC=CC=C2)CC3,F2AE09448A704544_84A58AE9C3DBC167_6039_DP,8.413895,00000000000000000000000000000000000000000100000000000000000000000010000000010000001001100001000000101000100011011001101011100010110010000110001001011001010101101111110,ISHDQJPHCZUJKP-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)CCN[S](C2=CC(=CC(=C2)CCl)Cl)(=O)=O)OC,7AA66B076B9A6ACA_778F039A346CE715_6029_UN,8.413788,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000011000011000001011101110011100111000001111001000101010110111111111110111111111110,ODPCEZQHDBECMG-UHFFFAOYSA-N
+CC3(C)C(OC1=CC=C(C=C1)C2CCCCC2)[C@@H]4CCN[C@H]34,9C739D3184B57874_635DC778099965D8_6035_UN,8.413624,00000000000100000001000000000000000000000000000000000000000000100010000000100000001100000011000011001000110010011100001001000011110000000100000101010111110011101111110,OCEXYFUKPSQFEK-YTYFACEESA-N
+C(C1=CC2=C(C=C1)OCC2)=CC3=CC=CC(=C3)SC(N(C)C)=O,A601DC997E2D15F2_D2434A7AAA4B2DB5_7019_UN,8.413449,00000000000000000000000000000000000000000000000100000000010100001000000000100000010101101000010010010100011001100100011000100100000010000100000011011100111011111111110,PRQWKGDUNMNXPM-UHFFFAOYSA-N
+COC1=C(C(=CC(=C1)C)C)[S](=O)(=O)NC2=C(OC)C=C(C(=C2)OC)SC#N,125A7A51F1FCB8E2_438799F5363C5244_6026_UN,8.413404,00000000000000000000000000000000110000000100000100010001001111001001010001000000010000001100011101000010001000001100010000001111001001011000111111101111100011111111110,CHUUSAKMPDPTHQ-UHFFFAOYSA-N
+C1(=CC(=CC=C1)N2CCOCC2)NC4=C3C=NC=CC3=C(N(C)C)C=C4,9270D2ABA953E28B_D8087A5D84D8BF6F_6041_UN,8.413128,00000000000000000000000000000000000000000000000000000000010000100100000000110000100001100000010100101100010001010000001011100100110011010110001001011101010011101111110,HSXPCBOMFOJFFC-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2C[C@@H](NC)C)C3=CCNCC3,9BBC85D1B09AC256_D8F5C16E610CB7DA_6034_UN,8.413002,00000000000000000000000000000000000000000000000000100000000000100100000000011001001101100001010010111100110000010001101011100100110100000110011001011101010110101111010,UMHRZRLAWQYYHF-AWEZNQCLSA-N
+N3CCC1=C(C=CC(=C1)COCCC[S](C2=CC=C(F)C=C2)(=O)=O)C3,27FF687783CB1505_681FEB8E2CAADA4A_6039_DP,8.412526,00000000000000000000000000000000000000000010000000010001001111001001000001000000011000111001000000101110110101011000001001001110111010101110000011111001010101110111110,OXIDFBNGTBJDRT-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)C3=NC2=C(N=CC=C2)[N]3CC4(CCNC4)C,5DA46DD5247AA1D2_B0018C8E70412D0D_6034_DP,8.412086,00000000000000000000000000000000000000100000001000000000000000100110000000010101101101110011000010101100110110011001101011100100110000100110001011011011010110101111010,JREDIDSFIDRWBH-UHFFFAOYSA-N
+CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=NC=N3)N[C@H]4C5=C(OCC4)C(=CC=C5F)F,34112BAAA18DA3C4_280114EB7563C206_6041_DP,8.412047,00000000000000000001000001000000000000000010000000000000010000000100000000000100100101010011010011100100111101010100101011100100110111110100001011011001110011101111110,DYRKVVQJFKNIQT-OQMKEHIESA-N
+FC1=CC2=C(C=C1)SC=C2NCC(N3CC(CC(C)C3)C)(C)C,1916997425E23315_DF701E4B162FB381_6041_UN,8.411314,00000000000000000000000000000000000010000010000000000000000000000010000000110001011101111001000010101100010110011001100011100100110001110110011001001101010110101111010,GLFFRFSXCBEEMO-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC3=C2C=NC=CC2=C(N(C)C)C=C3)OC,1DC317C5C4780BF5_EE8E92F008228BC1_6026_UN,8.411274,00000000000000000000000000000000110000000000000000010001001111001101010011100000110001101000011000100110011000001100010001101111001001011100111111101111100011111111110,NOJBPKJUIUMWQW-UHFFFAOYSA-N
+FC2=C1C=C[NH]C1=CC=C2NC3C4(CCC3)CCCCC4,915D51F42F129226_F9BFB92F9587CD95_6041_UN,8.411198,00000000000000000000000000000000000000000010000000000000000000000110000000000000000100010011000010000100110100011000001001000100110101110100001011010011000010100111010,QTGQMGRRTGHANB-UHFFFAOYSA-N
+O([C@@H]1COC[C@H]1N2CCNCC2)C3=C(C=C(C=C3)C(F)(F)F)C#N,7E2D633DE915C3D2_F571C94CCED00122_6035_UN,8.411161,00000000000000000000000000000000000000000110000000000000010000100000000010010001001101100101000111101000101101011100001011100011110011100110001111011011110011110111110,SUAMQMRPTGLWCD-UKRRQHHQSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CCC4(C)CC4(F)Cl,99D8CB483F2201D3_D7E3BC7B6E37BB94_6034_UN,8.410755,00000000000000000000001000000000000000000010000000100000000000100110000000011000001101110001000010111101110100011011101011100100110000100110001001011111010110101111010,NKXVJXFIGYXISZ-UHFFFAOYSA-N
+CC3(C)CCC(OCC1=CSC(=N1)C2=CSC=C2)(CC3)C#C,21B32AE4DA2F8FAB_D30290A56D1D6C1D_6039_UN,8.410716,00000000000000000100000000000000000010000000000100000000000000100110000000100000010100001000000110000000000001011001101011000111110010000100000100010100110111001111110,RRFVTOXGIBXNGX-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CC=N2)N[C@H]3[C@H](OCCC(C)C)CCCC3,161FD1C4FCA63829_F609AEC340D64A38_6041_UN,8.410625,00000000000000000000000000000000000000000010000000000000000000000100000000100000100000010011000100100100110101010001101001000111110011110100001101010111110111101111110,BKNVCMYMJFJPTO-UYAOXDASSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)Cl)C3=C(C(=C(N)C=C3)F)F,2770365CB0B267A5_F0D8642950BB4B0C_6035_UN,8.4105215,00000000000000000000000000000000000000000010000000000000000000000010000000000000001110110011000111001001100100011100001001000111110111110110001111010011110111100111110,HHPYVIRAIOSJJN-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)F)C3=C(C(=C(N)C=C3)F)F,7AA68FB67636A035_58159D34C3FE680E_6035_UN,8.41051,00000000000000000000000000000000000000000010000000000000000000000010000000000000001110110011000111001000100100011100001001000111110111110110001111010011110111100111110,FNPVMYYNXOWVML-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC=C(C=C2)Br)C3=C(C(=C(N)C=C3)F)F,9BE47107B9F62B97_B2AF7B3050053582_6035_UN,8.410505,00000000000000000000000000000000000000000010001000000000000000000010000000000000001110110011000111001000100100011100001001000111110111110110001111010011110111100111110,TXISKCOZUWTFNW-UHFFFAOYSA-N
+FC2=C1C=CN=CC1=C(C=C2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,ADFC5FE228CCF2C1_65A4398C6B9C1599_6041_UN,8.410385,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110001011111101100010111010010101011101100110011110110001011011111110111101111110,PZRAEEHLEIKCAD-PMACEKPBSA-N
+FC1=CC2=C(C=C1)C(=CN2CC3(CC=C)CC=CC3)C4CCNCC4,C295FC47DED527A1_D0D71BD0E916A2BB_6034_UN,8.410351,00000000000000000000000000000000001000000010000000000000000000100110000000010000001101110001000010111100110100011000001011100100110000100110001001011001010110100111010,FJXWWTLKGWHXSR-UHFFFAOYSA-N
+CCCC1=C(C4=C(N1CC2CCN(CC2)C3CNCCC3)C=CC(=C4)Cl)CC,734CB09D35E6D86E_59BB5DA3C2A70710_6034_UN,8.410324,00000000000000000000000000000000000000000000000000000000000000100100000000010001001101110011000010101101110110010011001011100100110001100110001011011111010110101111010,QALSQLMYINGMQZ-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)[S](=O)(=O)NC2=C(OC)C=C(C=C2C)Br,69B5DA852C7E3C9B_CB44B5AE0C83A92C_6026_UN,8.410264,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000111000011100000010001101001101010000001111001001111000110111101111110111111111110,UPLHYBSTYQZRGH-UHFFFAOYSA-N
+FC1=CC(=CC=C1)C2=CN(C(=N2)C3NCCC3)CC=CCC(C)C,92E45618A9CD5082_F185F6929BF381D9_6034_UN,8.409981,00000000000000000000000000000000000000100010000000000000000000100100000000110101001101010011000010011000100100010001001011100100110000100110001010011111010110101111010,OOTBGUBYMRPFNH-UHFFFAOYSA-N
+CC3(C)OCC(F)(COC1=CC(=CC=C1)CN2CCNCC2)CO3,32A1C96E763A3B4D_AFDA88BFDD99BE7A_6035_UN,8.409835,00000000000000000000000000000000000000000010000000000000010000000010000000110001001001110101000000101000100101011100101011110011110000100110001101111101110101111111110,RNGNTNFDTKSVKP-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=CC3=C(C=C2)C(=NC=C3)Cl,10A7255EE8643A31_9A6A62E94C1739F1_7022_UN,8.4098015,00000000000000000000000010000000000000000000000001000000100000010100001100000000100000010001001100100111010101000110000101101111001001110100001111101011110111111111110,BUCOVNMTAGRRPN-UHFFFAOYSA-N
+FC2=C1C=C[NH]C1=CC=C2NC3CC4(CCC3)CCCC4,228FA7D6BC92AF1A_895A73499C13A4EF_6041_UN,8.409731,00000000000000000000000000000000000000000010000000000000000000000110000000000000000100010011000010000100110100011000001001000100110101110100001011010011000010100111010,NQCBSXFOZLAHDK-UHFFFAOYSA-N
+C[C@@H](OC2=C1N=C(C=CC1=CC=C2)Br)CN3CCNCC3,2A3355DC657105C6_C6EEA57D309805FF_6035_UN,8.409389,00000000000000000000000000000000000000000000001000000000000000000100000000010001001001110001000100101100110110010101001011100111110010100110001101011001110111101111110,RMQLKCJZOYMCFY-GFCCVEGCSA-N
+C[C@@H](OC2=C1N=C(C=CC1=CC=C2)Cl)CN3CCNCC3,D856139E098D55BC_542512727B52A45A_6035_UN,8.40938,00000000000000000000000000000000000000000000000000000000000000000100000000010001001001110001000100101101110110010101001011100111110010100110001101011001110111101111110,AVUNOAYLZBDQMB-GFCCVEGCSA-N
+COC(=O)CC1=CC=C(S1)[S](=O)(=O)NC3=CC2=C(C=C[N]2C)C=C3,A569E95D0289D6C5_830AE13DC46F81AE_6026_UN,8.409041,00000000000000000000000000000000110010000000000000010001001111001101010001010000110101001000011010000110011000001000110011111110001011011100101000101101001111111111110,HPZSROYMOVBHCR-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)OC=C2NC[C@@H]3CCCN(C)[C@H]3C4=CC=CC=C4,28B5DFDF9BF1820C_18584E403FFCC9F1_6041_UN,8.408854,00000000000000000000000000000000000000000010000000000000010000100000000000010000101101110011010111101100010110010001101011100100110001110110001001011011110110101111110,AJJGVHJTUJYXFN-KKSFZXQISA-N
+CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NC3=CC(=C([S](C)(=O)=O)C(=C3)F)F,67FA1137FE0EB696_6226F38DBB6EDC2F_7022_UN,8.408626,00000000000000000000000000000000000000000010000000010001001111001001000001000000010000011001010100000011000101001100000000001111001001111000000111101111110111111111110,QSVHBJSBUZYTPG-UHFFFAOYSA-N
+C[C@@H](OC1=CC=C(C(=C1)OCC)C(F)(F)F)C2CNC2,431D412157908666_69544B23338CE7E2_6003_DP,8.408412,00000000100100000000000000000000000000000010000000000000000000000000000000000000001000100110000001001000001101001110100001000011000000100110000110000111110101111111110,IAQCDZPFPGAYGE-SECBINFHSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)NC3(C)CCC4(CC3)OCCO4,CD05EB1BBF7B6E21_43831613E195BC9C_7022_UN,8.40825,00000000000000000000000000000000000000000000000000000000010000000010000010100000000101100010010010000100110001011001101010110100110011010110011001011101110011111111110,FLCJDVXMMZTEIY-UHFFFAOYSA-N
+CN(CC1=CC2=C(C=C1)C=C(OC)C=C2)[S](C3=C(C)C=CC=C3C#N)(=O)=O,B2F8165B3BF905FB_DBC11AB16B0F3588_6028_UN,8.407402,00000000000000000000000000000000110000000100000000010001001111001001000001000000010000101000011000001110011000001101010000101111001000001000011111101110110111111111110,IFICOOAJNRKSFT-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)CC#N)N[C@H]2[C@H](CCNC2)C3=CC=CC=C3,74D484379E72F951_8E67804BA26C85D4_6041_DP,8.407227,00000000000000000000000000000000000000000100000000000010000000100000000000000001001000100011000000101000100010010000001001000100110101010110001011010011010110101111010,MMGKYFLGEDNDSE-UYAOXDASSA-N
+CCN4CCC1=C(C(=CC(=C1)NC2C(OCC)(OCC)C3=C(CC2)N=CC=C3)F)C4,FEABF8D78A269406_0BE4B074524C8BAE_6041_UN,8.406876,00000000000000000000000000000000000000000010000000000000000000000100000000010000000001110011000101101100110111011010101011110111110001110110011111011111110111111111110,ODEACRYEJZBCTF-UHFFFAOYSA-N
+N(C1=CC=C(C=C1)OC2CCOC2)[S](C4=C3C=CN=CC3=C(C=C4)C#N)(=O)=O,CE4CD222741CAFA6_8F181CCAEE9E260D_6029_UN,8.406328,00000000000000000000000000000000110000000100000000010001011111001101010011000000010100101100001010100110011001001100011011001111011011011110101101111001110011110111110,JSNDGBGPTMEFID-UHFFFAOYSA-N
+CN(C)C1=CC2=C(C=C1)CCN(C2)[S](C3=C[NH]C4=C3C=CC=C4)(=O)=O,CC81BE704F5E4070_785C5C783061F206_6029_UN,8.405838,00000000000000000000000000000000110000000000000000010001001111001101000001110000110101101000011011101110011000011000011011101100111001011110001011011101010010111111110,OSSHSRDJOZTBMK-UHFFFAOYSA-N
+CN(CC1CCNC1)C2=NC=C(N=C2)N[C@@H]3CCO[C@H]3C4=CC(=C(C=C4)F)F,E63BFE990600F739_6EE1D8D15E661F08_6041_DP,8.405617,00000000000000000000000000000000000000100010000000000000010000100100000000000101101101110011010111101000100111010001001011100100110111110110001011011011110111101111110,MYWFZYLPRJUJED-ILWAZIRXSA-N
+CN(C)CC1=C(C=CC(=C1)CNC(=O)C4=NN=C3C=C2OCOC2=CC3=C4)F,9442BE9848672BEF_CB70FA907A541802_6038_UN,8.405529,00000000000000000000000000001000000000000010000000001000010000000100000010100001101101110000111111101100010101100101010011111100100000100110001011101111111111111111110,CZIMHJXAJQNNAT-UHFFFAOYSA-N
+COC3C(OC1=CC=C([N](=O)=O)C2=C1C=CC=N2)CCCCN3,17A2995DDF44E9A8_4D16FEB123BDD3D0_6003_DP,8.404924,00000000000000000001000010000000000000000000000001000000100000010100001110000001001000000011111101101110110010110100011111101111111011010100101101111011110011111111110,MAROTKZPZSQDQY-UHFFFAOYSA-N
+N1CCC4(CC1)CC(OCCC(C(F)F)N2CCOCC2)C3=C(C=CC=C3)O4,658A31247E8727F9_4B18733A28009F11_6039_DP,8.404866,00000000000000000000000000000000000000000010000000000000010000000010000000010000001001100101000101101100110101011100001011100011110010100110001111111001110111110111110,XPKPOSFUHZGKIS-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)[NH]C=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)F,EE847DBCBF13158E_F8D1D81B65859536_6038_UN,8.403915,00000000000000000000000000000000000000000010000000000000010000100100000000010000000101110000100110101100010101110000011011100100110111110110001011011011011011110111110,ZEXCPYQQXAXVJQ-UHFFFAOYSA-N
+CCOC1=NC(=CC=C1)NCC2=C(N(CCOC)C)C=CC=C2,EE7836847B56D867_3C05E54AD8BA73B1_6041_UN,8.403904,00000000000000000000000000000000000000100000000000000000000000000100000000000100101001100000110101101000000011110111111001100111100011010110011111011111010111111111110,GENAFJMPGMTIGY-UHFFFAOYSA-N
+N4CCN(CC1=NN=C(C=C1)NC3=CC2=C(N(C)C(=O)CO2)C=C3)CC4,41D3A401A6312D61_496C93114AA363C9_6041_DP,8.403451,00000000000000000000000000000000000000100000000000001000010000000100000010010101101001100001111101101100110001110100111011101101110111010110001111011011111111111111110,VUKVQORYLJCABU-UHFFFAOYSA-N
+C(CCC2=C1C=CC=CC1=CC=C2)N3CNCC[S]3(=O)=O,DA7EDC9B80A623F1_73951773801B5535_6036_UN,8.402636,00000000000000000000000000001000110010000000000000010001001011000001000001010100111000101011001001101110111000011000011011101101111010001110001101011011010110110111110,JMCVFBBZDSQBSZ-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC(CC4=CC(=C(C)C=C4)Br)C#N,F5646E28CA7C82B2_0065159E64181C64_6034_UN,8.402635,00000000000000000000000000000000000000000100001000000000000000100100000000010000101101110011000010001100110100010000001011100100110000100110001011011011010110101111010,UQDSDAMHZUSTAB-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=CC(=C(C=C1)NC3=CC2=C(CCN2C)C=C3)F,143253678358C3AD_8575BF6ED7F3F9DA_6041_UN,8.40255,00000000000000000000000000000000000000011010000010010001001011000001000001010000100101111000010010001110011111011001101001101110001001111110001011111111010111111111110,YLBXHKRRCJMTQX-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(CCN(C)C)C=CC=C2)F,A27BCEE143326723_4592916AFE6CD3DB_6026_UN,8.402269,00000000000000000000000000000000110000000010000000010001001111001001010001100000010001111011011000001010001100011101111000101111001001111000011111111111110111111111110,HLKUIMHILQXFNO-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(CCN(C)C)C=CC=C2)Br,FD0D5861D866719A_F30A0553883C6964_6026_UN,8.402263,00000000000000000000000000000000110000000000001000010001001111001001010001100000010001111011011000001010001100011101111000101111001001111000011111111111110111111111110,IVSJGJNEDAEYBF-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(CCN(C)C)C=CC=C2)Cl,5C9EC6A1FAF32B79_71D0079047B34E2C_6026_UN,8.40224,00000000000000000000000000000000110000000000000000010001001111001001010001100000010001111011011000001011001100011101111000101111001001111000011111111111110111111111110,GYECJYLWDDTNOM-UHFFFAOYSA-N
+CC(C)(C#N)C1=CN=C(C=C1)NCC3OCC2(CNC2)C3,AD89DB13C4720177_4C4C150E47740241_6041_DP,8.402095,00000000100100000000000000000000000000100100000000000000010000000110000000100100001100100011000111101000010001001000000011000000110111010110001000000101110111101111110,LBYFWHKCBOXVHD-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC2C(OCC)(OCC)C3=C(CC2)N=CC=C3)C4CC4,FBDE8094CC8F3676_204B998741C198F2_6041_UN,8.40207,00000000000000000000001000000000000000000010000000000000000000100100000000000000000000010011000101100100110101011010001001010111100001110110001111010111110111111111110,JQPVRIFXLCISSG-UHFFFAOYSA-N
+N3CCC(OCC1=C(CC)C=CC2=C1C=CC=C2)(CC#N)CC3,581FF466CF5598EB_C2920999567AD065_6039_DP,8.401871,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100001000001101100110011011010001001000111110010000110001111010011110101101111110,PJKSMOWZRLLASX-UHFFFAOYSA-N
+N[C@@H]1COC[C@@H]1OC2=CC=C(C=C2)C[C@@H]3COCCN3,C5DC283344F9C5EF_253F55727D0C9CD7_6035_UN,8.4016905,00000000000000000000000000000000000000000000000000000000010000000000000010000000001110100111000111101000100001010100001011000011110111000110001101110011110111110111110,JLQXUBZEMNYBET-YUELXQCFSA-N
+O([C@@H]1CCO[C@@H](C1)C2=CC=CC=C2)CC3=C(C=C(C)C=C3)F,84C8C7A7EB419540_B5F1E2E4652B46DA_6039_UN,8.401629,00000000000000000000000000000000000000000010000000000000010000100000000000000000000000010100000000100000000101000000001000000111110010100110000111010010110101011011110,TWBASJSHQYWMCX-MJGOQNOKSA-N
+NC2(CCOCC1=C(F)C=C(C=C1)C#N)CCSCC2,53A387F363D6101D_F3A4D29BCCFBAEEE_6039_DP,8.40129,00000000000000000000000000000000000010000110000000000000000000000010000000000000000010111010000001100000100101011000001000000010110011100110001011010011010111100111110,HEOBCOOOOLQNEF-UHFFFAOYSA-N
+N1CC(C1)(C#N)C2=NC=C(C=C2)C3=CC=C(C=C3)CF,808072E021E2F995_B94C0A2A6E7649CE_6004_DP,8.401154,00000000100100000000000000000000000000000110000000000000000000100110000000000000101000100010000000101000000000001000000011000100000000100110001001000001010110100111010,OUMKLAPRVPXGRS-UHFFFAOYSA-N
+CO[C@@H]1C[C@H](NC1)C2=NC=CN2C[C@@H](C)C3=CC4=C(C=C3)OCCO4,C95065C1FA9EE968_88D6EA5DB66A93A7_6034_UN,8.401054,00000000000000000000000000000000000000100000000000000000010000100100000010010101001101000011010111101100110001010101101011100111110010000110001111111111110111111111110,PEVIBIIZZJRNBY-BMFZPTHFSA-N
+CC(N)(COC1=CC=C(C=C1)N2CCNCC2)C(F)(F)F,FAEF9851DD83A3EE_2FF52F9AAEB15350_6035_UN,8.400962,00000000000000000000000000000000000000000010000000000000000000100010000000010001001011100001000100101000101101011101001011100011110101110110001101011001110111101111110,MGUCXHORGOSMEG-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NCCN2CCC(CC2)(F)F)F,D23DCFE6FFB25A22_91DCE6E129CF4E08_7022_UN,8.400934,00000000000000000000000000000000000000000010000000000000000000000000000000110001001001110001010000101000100100011001001001100000110001110110001011011111010110101111010,VFFLISCMYGIYDX-UHFFFAOYSA-N
+NCCC1=CC2=C(C=C1)N(C=C2)CC3(CNCCC3)F,C28A846DC3B7F25E_7AA123095E98E179_6034_UN,8.400788,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,LOZFWFCWDGYJDY-UHFFFAOYSA-N
+C[C@@H]3C[C@H](OCC2=NC=C(C1=C(F)C=CC=C1)O2)CC(C)(C)C3,0744D80667D8D0B5_B00BF466EADA80C7_6039_UN,8.400315,00000000000000000000000000000000000000000010000000000000010000100110000010100000000100010000100110000000000111111001010011000111110010100100010111000110110111011111110,YDOUOCPYYWTXGU-KGLIPLIRSA-N
+C1(=CC2=C(C=C1)SNC2=O)NCCCC3=CC=C(N(C)C)C=C3,33347D8B81327AFE_649C99A612457C93_6041_UN,8.400077,00000000000000000000000000000000110010000000000000000000000000000101010000100000011101101010111010001100110000110100011011101101000101010100001101011101011110101111110,BOONZSROCCSOQO-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1OCC2=C([S](C)(=O)=O)SC=C2)C3,01EE8CDC51EB907F_722A70882882A8B4_6039_DP,8.4000225,00000000000000000000000000000000000010000000000000010001001111001001000001000000011100101001010010101110110011011100001011001111111000001110000111111011110101111111110,YYIHIWVENJUIKA-UHFFFAOYSA-N
+O(CC1=CC2=C(C=C1)C=CC(=C2)CC#N)C3=C(C=CC=C3[N](=O)=O)C#N,26130367219B24B8_80BF660777E82612_6003_UN,8.399777,00000000000000000000000010000000000000000100000001000000100000010000001100000000000000000100001101000110010001010100000100101111001001010000001111101010110111110111110,LNVUKGVOOHYIAC-UHFFFAOYSA-N
+COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC(=C(COC)C=C2)C#N)C,13F7AE744F2329CC_2E174709BD22B2DA_6026_UN,8.399708,00000000000000000000000000000000110000000100000000010001001111001001010011000000010000101000011000000010001011001101111000001111001011011010111111111111110111111111110,ZNARBOUMCCJJFQ-UHFFFAOYSA-N
+C1(=CN=C(C=C1)[N](=O)=O)NC3=CC2=C(N=C(N(C)C)C=C2)C=C3,CB86AE6AD47131C0_7A765EFBEAD00E97_7022_UN,8.399616,00000000000000000000000010000000000000100000000001000000100000010100001100100101000001100000011100100110010000000000000111101100001001010100001001001101000010111111110,KVCNFAWWQHHYEX-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCCC2=CN=C(OC)C=C2,B8B708AC8F33F4BF_09D164A5867A372A_6041_UN,8.399511,00000000000000000000000010000000000000000000000001000000100000010100001100000000001000000010111101101010100000110100011101101111001001010100101111111111110111111111110,OHIDFPHESCDAQC-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=C(OC)C=CC=C3Br,E7435D6008B889A2_0AF84DFD4017585C_6035_UN,8.399422,00000000000000000000000000000000000000000010001000000000000000100010000010000000001100110011010111001000100100011100001001000111010010100110000111010011110001111111110,FGUVXINWDUPVRX-UHFFFAOYSA-N
+OC(=O)C2=C(N=C1CCOCC1=C2)NC3=C(C4=C(C=C3)CNCC4)F,17C86D90F2C5B67E_E5048993683DBB38_6041_DP,8.3993025,00000000000000000000000000000000000000100010000000000100010000000100000000000100001000110001000001101100110101010000001011010100110111110111001011110011011011110111110,LIHMUEMIRDRURH-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC2=CC(=C(CN(C)C)C=C2)F,485FD58F90674F09_A9852CC8C6A2F525_6041_UN,8.398919,00000000000000000000000010000000000000100010000001000000100000010100001100100101000001110000011101101010000100000101000101101111001001110100011111101111110111111111110,GOOHTYCGUIOUFV-UHFFFAOYSA-N
+COC3CN(C)C(C)(COC1=CC=C(C=C1)C2=CCNCC2)C3,66F716DE94D60B82_2F71030C72462253_6035_UN,8.398836,00000000000000000000000000000000000000000000000000100000000000100010000000011000001101100001010111111000100011011101101011100011110010000110011101011111110111111111110,MMYKOKHLJMIROO-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C3CCC2O3)NCC4=C(N(C)C)C=CC=C4,3549F65229550137_AE64EA7C36B208B0_6041_UN,8.3986225,00000000000000000000000000000000000000000000000000000000010000000000000000100000101101100000010010001100010010000000001000100100000011010100001011011111110111101111110,YBFIZWQLMKGODL-UHFFFAOYSA-N
+CN(CC1=CC=NC=C1)[C@H]2[C@@H](CNC2)OC3=C(C4=C(C=C3)N=CC=C4)Br,C756CB2018A37610_F12F98EB9BC8AFD4_6035_UN,8.398544,00000000000000000000000000000000000000000000001000000000000000000100000000000001101101110001010111101100010110010101100011100111110011100110001111001011110111101111110,VGLUAVCQKHILFU-IEBWSBKVSA-N
+COC1=C(C(=C(C=C1)F)[S](=O)(=O)NC2=C(COC)C(=CC=C2)C)OC,80845D87ABE4118B_3821BE77FB82E3BD_6026_UN,8.398349,00000000000000000000000000000000110000000010000000010001001111001001010011000000010000111110011001000010001101001101110000001111001001111000110111101111110111111111110,RPBSPLNTGRQEKY-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)CN(CC2)[S](C3=CC=CC(=C3)CSC)(=O)=O,16553988B3A3E7BB_6997232DC88F684F_6029_UN,8.39791,00000000000000000000000000000000110000000100000000010001001111001001000001010000010000101000011000101110011000011001011001101100111000001110001011011000010110111111110,YOJYWVUQSKJSAY-UHFFFAOYSA-N
+C(N1CCNCC1)C3=CC2=C(C=CC=C2)[N]3C[C@@H]4COCCN4,C5D59A2E163657E0_D24FBFA3D9F5BD58_6034_DP,8.397877,00000000000000000000000000000000000000000000000000000000010000000100000000010001001101100001000111101100110001010000001011100100110110000110001011011011010111100111110,ONXJWSLPEJFQDD-MRXNPFEDSA-N
+C1(=CC=C(C=C1)SC2=CC=C(C=C2)C#N)NC3=CC(=C(OC)C=C3)[S](=O)(=O)N(C)C,65F64994E50C2295_2A6FE5E701D798E3_6041_UN,8.397745,00000000000000000000000000000000110000000100000000010001001111001001000001100000010000101100011001000010001000001100010000101111001001011000011111101111100011111111110,LOUFGNKHECNSDP-UHFFFAOYSA-N
+FC1=CC(=C(C(=C1)F)NCC2=CC=CC(=C2)CSC)F,516158A4CBEBC53B_20CA5A0828E4885D_6041_UN,8.397331,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000111000010000001000000100000001000000000100100001110010000011000011010110101111010,JAOZBZWKZJBDHW-UHFFFAOYSA-N
+N1[C@@H]([C@H]2CC[C@@H]1C2)C3=NC=C(C=N3)NC4=C(C=C(C(=C4)F)C#N)F,907CBCE45FF8C16D_4BADCE5733CAFB08_6041_DP,8.397124,00000000000000000000000000000000000000100110000000000000000000100100000000000101100100010011000010100000110100010000001011000100010101110100001011010011000010100111010,FYNOKEFYKZWZAG-ZXLZKYRFSA-N
+OC(=O)C2=C1N=CC=CC1=CC=C2NC4=C(N3CCN(C)CC3)C=CC(=C4)F,E87FF7E045C641CC_43EC0290DA8F75E5_6041_UN,8.397041,00000000000000000000000000000000000000000010000000000100000000100100000000010001100001110001010001101100010100010001101011110100110101110111001011011011011011111111110,BAHDRWVNJBJXNN-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=CC=C(CSC)C=C3,81A5610E54405D9A_2B2415739255ECDC_7022_UN,8.396803,00000000000000000000001000000000000000000110000000000000000000100010000000000000000000111000010000000000000100001001000000000100000001110000001011010011010110101111010,JVDUWUPHWRZUNI-UHFFFAOYSA-N
+N1CCC2=C1C=C(C=C2)CC(=O)OCC3=CC=C(N)C=C3,EB03A2B0CD56F5D4_0C6B1193781F6A64_6031_DP,8.396651,00000000000000000000000000000000000000000000000000000000000000000000000000000000001110000011000010001100110001010000001001010110010111010110001011010001011111110111110,NEKUVSYUOCUWQZ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC[N+](C)(C)C)C3=CCNCC3,D49CB388E089312F_9AF316AF2404B21F_6034_UN,8.396281,00000000000000000000000000000010000000000010000001100000000000100100000000111001001101110001010010111100110100011001101011100100110000100110011001011101010110101111010,FTPCBPIYEOGKEE-UHFFFAOYSA-N
+C1(=NC(=CC=C1)CC#N)NC(C)(C)C2=CC(=CC=C2)C#C,863F5451167141C1_F7063956E7643ACD_6041_UN,8.396234,00000000000000000100000000000000000000100100000000000000000000000110000000100100100000000001000000100000000000011000000001000100000001010100001001000101000110101111010,IUTOXUNTTWLXTA-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[N](=O)=O)NCCC[N]2C=CN=C2,371CD0E485836CEE_2B4A9CD08D0A1847_6041_UN,8.396209,00000000000000000000000010000000000000000000000001000000100000010100001100010101101101000010011110001010100000010100001111101111001001010110001110111111110111111111110,SRCRSMXSTHEDGN-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)N=C=O)NCCC3=CC=C(SC)C=C3,2A13368DBF45ECA2_E0817065CD30985D_6041_UN,8.395966,00000000000000000000001000000000000000000000000000000000000100101010000000000010011000001000010000001000100000111000011100000100000001010000001001010001011110101111110,ZNVDRPXCMZGWPV-UHFFFAOYSA-N
+N(C1=C2C(=CC=C1)OC=C2)[S](C3=CC=CC(=C3)P(N(C)C)N(C)C)(=O)=O,E40BC879EE4CB14E_F494A2F7E19B9C0C_6029_UN,8.395962,00000000000000000000000000000100110000000000000000010001011111001001010001100100010100101000011011000110011000001000010000101100001001011100011001101101100010111111110,HYRMSAAHEGQCPD-UHFFFAOYSA-N
+CN(C1CNC1)C2=NC(=NC=C2)N[CH]4C[C]3(C[C](C)(C3)C)C4,3FD11723F7848E88_B8E47B8EDA3E3EF7_6041_DP,8.395813,00000000100100000000000001000000000000100000000000000000000000000110000000100101101001100011010000101000111010011001100011100000100101010110011000001101010010101111010,RZFHAVYJOSXPPW-UHFFFAOYSA-N
+CC(C)(COC1=CC=C(C=C1)C2CNCCC2)CC(F)F,618D5CD1F122FBE8_AB86C01229959013_6035_UN,8.39563,00000000000000000000000000000000000000000010000000000000000000100010000000100000001000100011000000101000100101011101001001000011110000100110000101010101110101101111110,XJOMRONUFQFFTN-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C#N)NCC2=C(N=CC=C2)F,7989D470FD0C1F06_D3BDB3F00D371AA4_6041_UN,8.394835,00000000000000000000000000001000000000000110000000000000000000000100000000000000101000110001010100101000000101000101000001010111000001110110001111000011110111111111110,IAAPSINUTILGQV-UHFFFAOYSA-N
+COC1(CNCCC1)COC2=CC=C(C=C2)CCC3CCNCC3,8A75C71E8C68C9B9_B36FEBFB0C64B898_6035_UN,8.394682,00000000000000000000000000000000000000000000000000000000000000000010000010000000001000100011010101101000100011011100101011000011110110000110001101010001110101111111110,IUARFIIVUFFZGX-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OCCCC1=NC2=C(C=C1)C=CC=C2)CCOCC3,636447D280387CAC_FED4EB162A5FFF36_6039_UN,8.394558,00000000000000000100100000000010000000000000000000000000010000000110000000100000000000100100010000100100010001011000001011000111110010000110010101011100110111011111110,KSOXJDWGNSSFQF-UHFFFAOYSA-N
+CC1=C(N(C(=N1)C2CNCCC2)CC3COCCN3CC4=CC=CC=C4)C,AF63B5DA4113EFE9_30FCFC534E0F718E_6034_UN,8.394372,00000000000000000000000000000000000000100000000000000000010000100100000000010101101101100011000111101000100011010000101011100100110010000110001011011111010111101111110,AYLKGJROZZFRRA-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C(=CC=C2)F)NC3=CC5=C(C=C3)[N](CCN4CCOCC4)C=C5,42809432FD659058_9E48DFEB6D92AEF2_6041_UN,8.394291,00000000000000000000000001000000000000000010000000000000010000000100000000010101000101110000010110101100011101010000001011100100110011110110001011011011010111101111110,ATQZFQZRVCRDNZ-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C=C(COCCOCCN(C)C)C=C2,A76F83A8FF9087AB_ED6BE943DB2BC0AA_6039_UN,8.394261,00000000000000000000000000000000000000000000000000000000000000000000000010100000000001100000010100001100010001010101101000100111110010000010010101111100110101111111110,CXXSMHUWOJQFBE-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NC2=C(OC)C=C(C(=C2)OC)SC#N,2C44E4AF46AE8317_FFA14E52808406F6_6041_UN,8.394215,00000000000000000000000000001000000000100100000100000000000100001100000000000100010000101000010101100000000001000101000001010111000001010100111111100111110111111111110,RLCABIRQRPFUDU-UHFFFAOYSA-N
+CC3(C)CCC(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)C3,9375644E3FF7938F_A25E6295133C1DA4_6035_UN,8.394197,00000000000000000000000000000000000000000000000000000000000000000010000000110001001001110001000010101001100110011101101011100011110010100110001111011111110101101111110,CNLFRPABCAEVEO-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)CC#N)CC3(CNCC3)C4CCOCC4,3F0A11EDB22A5146_C2543DF96069847F_6034_UN,8.394046,00000000000000000000000000000000000000000100000000000000010000100110000000010000101101100011000010101100110001011010001011100100110010000110001001011001010111101111110,PISGTTMXSKTOKX-UHFFFAOYSA-N
+N2CCC(COCCC(C(F)(F)F)N1CCOCC1)(CC2)C3=CC=CC=C3,5D15ED9FC0236DF3_66340BFD2EF9CE4D_6039_DP,8.3939,00000000000000000000000000000000000000000010000000000000010000100010000000010000001001100001000101101000101101011000001011100010110010100110001001011001010111110111110,IUCGVKGYNUAKOP-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CC4COCC(C)(C)O4,56FFAFA18E5E6EAC_77FA4050D278E321_6034_UN,8.393587,00000000000000000000000000000000000000000000000000100000010000100110000010111000001101100001010111111100110011011101001011100111110010000110011101111101110111111111110,HKYUFNCKMVEESF-UHFFFAOYSA-N
+CC(=O)C1=CC(=C(C=C1)NCCCCC2=CC=C(OC)C=C2)[N](=O)=O,1101C484F13F0D4A_226687649A416B43_6041_UN,8.393081,00000000000000000000000010000000000000000000000001000000100000010000001100000001001000000011011001001010100000010100001100101111011001011000101111111111111111111111110,ZPRNAGCVOCRGOC-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC2=C[N](C)C=N2,125BEC3882D710CF_FD16A37A59AB91EA_7022_UN,8.39296,00000000000000000000000000001000000000000000000000000000000000000110000000110101101101100001010110001000100011011101001011110111000001010110011110011111110111111111110,JJGKXOGAXYJIJZ-UHFFFAOYSA-N
+COC2=C1N(C3=C(C1=CC=C2)CN(C)CC3)CCNCC4=CC=C(C)O4,41EB3FA86401BD69_B91A4604DF41C43B_6034_UN,8.392945,00000000000000000000000000000000000000000000000000000000010000000100000000010001101101100000010110101100110010010101101011100111110010000110011111011101110111111111110,KXEZWZIARVSXKG-UHFFFAOYSA-N
+CN1C(=O)CC2=C1C=CC(=C2)NC3=C(C)C=CC(=C3)N4CCOC4=O,C383F4EBCF3B9110_A30401C75994FD5B_6041_UN,8.392843,00000000000000000000000100000000000000000000000000000000010000100000000000010000100101000001110110001100011011110000111011110101000011011110001111111111011011111111110,NJEBGWIBWRPCNO-UHFFFAOYSA-N
+N(CCC1=CSC2=C1C=CC=C2)[S](C3=CC(=C(C=C3)C#N)SC)(=O)=O,66A7AC1DE85E596A_E0CD55A07442046D_6029_UN,8.392731,00000000000000000000000000000000110010000100000000010001001111001001010001000000011100001000011010001110111000011000011000001100001000001100001011011011010110111111110,TWHGKVJNPHKIDL-UHFFFAOYSA-N
+FC2=C1C=CN(C(C1=CC=C2Br)=O)CC3(CCN)CCNCC3,8AA0DB770F092D99_C005CD99FCD611E0_6034_UN,8.392514,00000000000000000000000000000000000000000010001000000000000000000110000000010000001011110001100000101100110100111100011011100101110100100110001111011011011110100111110,CLHQQMOWGVJERZ-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)N2CCCC2=O)NC3=CC=C(CSCC)C=C3,5E88C26DAB80C2CB_C66FD5D1174653CD_6041_UN,8.392277,00000000000000000000000000000000000000000010000000000000000000100000000000010000000101111000100010001000000100110010111001100101010011110110001111011011011110101111110,HXRYBQOJYXPZGA-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CC4(CC=C)CC=CC4,AD9D015E0E5644DF_55EB4367F1EA47D9_6034_UN,8.391742,00000000000000000000000000000000001000000010000000000000000000100110000000010000101101000011000010011100111100011000001011100100010000100110001000011001010110100111010,VTMGZNZNWBYMKF-UHFFFAOYSA-N
+COC(=O)C1=CC(=CC(=C1)F)NCCC2=CC=C(N(C)C)C=C2,7F36B0806C95229D_F4B602C7D8D80D9B_6041_UN,8.391662,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001110000010000001000100100010000001000110110000001110000011001011101011111111111110,FOSOHMRWGBVPHO-UHFFFAOYSA-N
+N4CC1=C(C=C(C=C1)N[S](=O)(=O)C2=CC(=CC=C2)CC#N)C3(CC3)C4,90476D87292FE4FE_9A6353FEE61B647E_6043_DP,8.391634,00000000000000000000001000000000110000000100000000010001001111001011010001000000011000101011001000101110011000011000010001001100111101011110001011011001010110110111110,GNVWPCUWMSFYLV-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC(=CC=C1)CC#N)NC3C2=C(C=C(OC)C=C2)CCC3,7500F32A168006DF_6929D366384BB161_6026_UN,8.391583,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001011011000000110111000011100011000001111101001001000001111111001100111111111110,KDZFBNWHMPLRKC-UHFFFAOYSA-N
+CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CC(=CC=C2)CC3CCNCC3,49E3766692E386C9_994A8E844F176C30_6035_UN,8.391496,00000000000000000000100000000010000000000000000000000000000000000010000000100000001000100101010000101010100011011100001001001011110010000110010101011111110101111111110,ZYJIASULWUPDAD-LADGPHEKSA-N
+C[N]1C=C(CC#N)C2=C1C=C(C=C2)NC3(C)CC=CCC3,317A144B4F543190_A12C26B88E0FF582_6041_UN,8.391474,00000000000000000000000000000000000000000100000000000000000000000110000000010000100101000010010010010100110010011001101001100100110001010100001001011101000110101111010,OTFMKLYMSIGKEK-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C=C[N](=O)=O)NC3C2=C(C=C(OC)C=C2)OCC3,FD9F841FA74BA24A_2508CDA4D6391F50_6041_UN,8.390979,00000000000000000000000010000000000000000000010001000000110000010000001100000000000000000110011101110110110001010100001100101111001011010100101111111111110011111111110,SYYDHGSNUAJHFB-UHFFFAOYSA-N
+CN4CC[C@@]3(COC2=C1C=CC=CC1=CC=C2Br)CNC[C@@H]3C4,3057056ED9106EE6_55C6393256E7BF87_6035_DP,8.390675,00000000000000000000000000000000000000000000001000000000000000000010000000010000101101110011010011101100010111011101101011100111110000100110001111011011110101101111110,SYYGRTLSWYZPKC-BEFAXECRSA-N
+CN4CC[C@@]3(COC2=C1C=CC=CC1=CC=C2F)CNC[C@@H]3C4,F8ACDE7A486DE705_7FAC323DED8DD3B8_6035_DP,8.390669,00000000000000000000000000000000000000000010000000000000000000000010000000010000101101110011010011101100010111011101101011100111110000100110001111011011110101101111110,KBHDBSFJOCOGRG-BEFAXECRSA-N
+CN4CC[C@@]3(COC2=C1C=CC=CC1=CC=C2Cl)CNC[C@@H]3C4,3918FF63E0E40CD6_468E679B8E304F14_6035_DP,8.390662,00000000000000000000000000000000000000000000000000000000000000000010000000010000101101110011010011101101010111011101101011100111110000100110001111011011110101101111110,ZKVIGDWTZLZFPI-BEFAXECRSA-N
+FC(F)(F)C2=C1[N](C=CC1=CC=C2)CC3(CC34CCNCC4)CN,FDCFAC368FD9FF7E_0FC12BAC0376DB9A_6034_DP,8.390645,00000000000000000000001000000000000000000010000000000000000000000110000000010000101111100011000010101100111100011000001011100100110100100110001001011001010110100111010,OCCHHCXHJZRTGQ-UHFFFAOYSA-N
+CN2CCC1=C(C=CC=C1NCC(SCC)(SCC)SCC)C2,607C360D8AF10928_D4353B5E0980B0D7_6041_UN,8.390383,00000000000000000000000000000000000000000000000000000000000000000000000000010000011001101011010000101100011010011011101001100000110001010110011011011101010110101111010,ZRENEFJAWPBMQH-UHFFFAOYSA-N
+COC1(CC4(C1)COC(COC2=CC=NC3=C2C=C(N)C=C3)C4)OC,9B7E689E4D0CE2ED_5C5667680F8767A2_6035_UN,8.390314,00000000000100000000000000000000000000000000000000000000010000000110000010000000000110000000010011100100010001001100100011010111110011010110101101100101110111111111110,USEPJCAGEIDQIF-UHFFFAOYSA-N
+CSC1=C(C=C(C=C1)CN(CC2=CC=C(OC)C=C2)[S](=O)(=O)C)Cl,A03C1F20C48F31CF_769F995D5CAC1FE4_6036_UN,8.389904,00000000000000000000000000000000110000000000000000010001001111001001000001000000010000111000011000001011001100001100110000101111001000101010010111101110110111111111110,LCJSNSZNSVBTAH-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C#N)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)Cl)F,6EC02EBDB0A70857_780CC7C53A126393_7022_UN,8.389807,00000000000000000000000000000000000000000110000000000000000000100000000000010001100101110011010010001001100110010001101001100100000001110100001011011011010010101111010,LLJDSRYFXNZDGP-MSOLQXFVSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCOC2=C(C=CC=N2)F,3D590EFBBB2087C2_A55524EB19054BC3_7022_UN,8.389801,00000000000000000000000000001000000000000010000000000000000000000110000000100000001000110001110100101000100101111101011001010111000011110110011111110111110111111111110,YECPQWIATDBLDD-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C#N)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,0BA0250F2509914A_5F887B4DDDBEB3BC_6041_UN,8.3897915,00000000000000000000000000000000000000000110000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010010101111010,SUZZZWFFHGDDEF-MSOLQXFVSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCOC2=C(C=CC=N2)Cl,DD8B63B12338AB25_606C100C9608F23D_7022_UN,8.389784,00000000000000000000000000001000000000000000000000000000000000000110000000100000001000110001110100101001100101111101011001010111000011110110011111110111110111111111110,YXTPQYKNKFGDNQ-UHFFFAOYSA-N
+CC(COC2=CC=C(CNCC1N(CC)CCC1)C=C2)(N3CCNCC3)C4=CC=C(C=C4)Br,A41D18F30E586495_713DAA4055948AEB_6035_UN,8.38943,00000000000000000000000000000000000000000000001000000000000000000010000000010001001101110011000110101000100111011111101011100111110100100110001101011111110111101111110,OCNYUGLWRSVQJZ-UHFFFAOYSA-N
+COC2=C(C=C1[NH]C=CC1=C2)NC4=CC=C([S](N3CCN(C)CC3)(=O)=O)C=C4,A030FA3EEBC4749A_20C746BEEF63483F_6041_UN,8.389292,00000000000000000000000000000000110000000000000000010101001111001101000001010001110101101000011110101110011000011101111011101111111101011110001111111111110011111111110,QSHNDOPWWHDPPN-UHFFFAOYSA-N
+COC2=C1N=CC=CC1=C(C=C2)[S](=O)(=O)NCCC3=CC=C(N(C)C)C=C3,DD057EC93B5ED461_11D318A2D674035A_6026_UN,8.389247,00000000000000000000000000000000110000000000000000010001001111001101010001100000011001101000011100101110111000011100011001101111001001011100011101111101110111111111110,XLVVEVBKLFNFDZ-UHFFFAOYSA-N
+O(C2CCC1COCCC1C2)CC3=NO[C@@H]4COC[C@H]34,0613F3497614E866_FD7A4218B37D0FF1_6039_UN,8.389111,00000000000000000000000010000000000000000000000000000000010000000000000110000010000100100100001111100110010001010000001111001011110010000110100101110000110111010101110,BJTJTWRPGRUREH-BZTRVDRMSA-N
+C(C2CCCC1(CC1)C2)=CC3=C(O)C=CC=C3OC(F)(F)F,5EE05568DFED3098_F599AF3794948435_7019_UN,8.388667,00000000000000000000001000000000000000000010000000000000000000000010000000000000000000000100000000010000011100001100001000000011110000100001000111010010100001010011110,JHHURNPMRBWXFW-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)N[S](C2=CC(=CC(=C2)CC#N)F)(=O)=O)OC,0AC75FABBEE780C8_720E034014D86DEC_6029_UN,8.388656,00000000000000000000000000000000110000000110000000010001001111001001010011000000010000011000011001000010001100011100010000001111001001111000111111101111100111111111110,OHIBJLOSEKHWJP-UHFFFAOYSA-N
+COCCCNC(=O)C=CC1=C[NH]C2=C1C(=CC=C2)C#N,A501F1BEC5B4240C_4A983E673C306092_7019_UN,8.388152,00000000000000000000000000000000000000000100000000000000000000000100000000000000001100100010110011011100110011110001111001000110000110000110001000010001011111111111110,OHJRSROMXUCHFZ-UHFFFAOYSA-N
+N3=C(C2(CC1=CC=C(CC)C=C1)CCNCC2)[NH]C4=CC(=CC=C34)C#N,95E90303AA3EC68F_AC723DF691DC41C0_7005_UN,8.387572,00000000000000000000000000000000000000100100000000000000000000100110000000000101001100100011000010101100110000011010001011000100110100000110001001010001010110101111010,CLNKPJUSRXPIES-UHFFFAOYSA-N
+FC2=C(C=C1C=NC=CC1=C2)NC3=CC(=C(C=C3)N4CCCCCCC4)F,DCE2CEEF35C5AA79_DBDFB09A7EF181BD_6041_UN,8.387515,00000000000000000000000000000000000000000010000000000000000000100100000000010000000001110000000000101100010100010000001011100100110001110110001011011011010010100111010,AHLIKLFTWDFNKU-UHFFFAOYSA-N
+C5CC1=C(C4=C(N1CC2=C(C=CC=C2Cl)N3CCCC3)C=CC=C4)CCN5,82817644E9F87D53_B43BF444B3D94618_6034_UN,8.3874445,00000000000000000001000000000000000000000000000000000000000000100100000000010000101101110000000010001101110100010000001011100100110001110110001011011011010110100111010,OFFPLRYDGWVHMS-UHFFFAOYSA-N
+C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)NC4=CC(=C(OC)C=C4)[S](=O)(=O)N(C)C,95B05A060745AF8C_303B034D820D9F20_6041_UN,8.386888,00000000000000000000000000000000110010000000000000010001001111101101000001110000110100101100111011000110011000101100010011101111001001011100111111101111101011111111110,SJWONPFQIKGLMA-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)C=C)NCC2=NC=C(N(C)C)C=C2,490EFE6DE37F6C48_D3F33FC8256FC926_6041_UN,8.386711,00000000000000000000000000000000001000000010000000000000000000000100000000100001001001110000010000111000000100010000000001100100000001110100001011001111010110101111010,VWVITSSOKGMYJY-UHFFFAOYSA-N
+FCCOC1=CN=C(C=C1)NC3=C(C=C2OCOC2=C3)[N](=O)=O,0BAE6136FD4EB1E5_665DF06052CC7001_6041_UN,8.386691,00000000000000000000000010001000000000100010000001000000110000010100001110000101000100000000001111100110010001000100001111111111001011110110101111111011110111110111110,USBZWCMIIREMJO-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NCCN2CCNCC2)F,A0905BA7E0943636_67F5900060648984_6041_DP,8.3862095,00000000000000000000000000000000000000000110000000000000000000000010000000110001001001110001000000101000100100011000001011100000110101110110001011011111010110101111010,IDUCPTOUSIXCKS-UHFFFAOYSA-N
+N2CC(CCOC1=CC=C(C(C)(C)C(F)(F)F)C=C1)CC2(C)C,F0F56962D3D52FCC_FF30DB97C246C2DD_6035_DP,8.386199,00000000000000000000000000000000000000000010000000000000000000000010000000100000001100000011000010001000101111011101101001000011010010100110010100010101110111101111110,AHEYPPMUHZJLOI-UHFFFAOYSA-N
+C2=NC1=C(C=CC=N1)N2C[C@H]3[C@@H](CNC3)C4=CSC=C4,2C645ACB2A000917_CA7A847C0D13DB11_6034_UN,8.386124,00000000000000000000000000000000000010100000000000000000000000100100000000010101101101101011000010101100010000000000000011100100110000000110001000001011010110100111010,DRLBANMNBRCUJX-STQMWFEESA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCC3(C)C=CCCC3,B9FA141B65642C21_69C9CC749ACCF52E_6041_UN,8.386114,00000000000000000000000000000000000000000100000000000010000000000110000000000001001100000011000010011100010010011001101001000100110101010100001001010001010110101111010,UZWHMJZFIWXLIA-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)C#N)C#N)[S](C2=CC=CC(=C2)CBr)(=O)=O,9D402ACF87CEB302_251DC861615EBBEB_6029_UN,8.385806,00000000000000000000000000000000110000000100001000010001001111001001010001000000010000001000001000000010001000001000010000001100001001111000001011001011010110110111110,QQDRGWNGEZJEKH-UHFFFAOYSA-N
+N#CCC1=CC2=C(C=C1)[N](C=N2)CC3CNCC34CCNCC4,8AFF3FE8C57700FE_822A2C2B76149FB2_6034_DP,8.385757,00000000000000000000000000000000000000000100000000000000000000000110000000010101101101100011000010101100110000011000001011100100110100000110001001011001010110100111010,QHCRPTQKEHTDGX-UHFFFAOYSA-N
+N#CC1=CC2=C(C=C1)N(C=C2)CC3(CN)COCC4COCCN34,2CC36ECB2C102587_290FA6E7CB4C98F4_6034_UN,8.385266,00000000000000000000000000000000000000000100000000000000010000000110000000010001101111100111000111101100010001011000001011100100110010000110001001011001010111110111110,LRLICYWCISARGL-UHFFFAOYSA-N
+O(CC1CC(=NO1)C2CC2)CC3=CC(=C(C=C3)C)CCCCOC,638EB5FBB67DFC6D_EF38E789976F9271_6039_UN,8.385128,00000000000000000000001010000000000000000000000000000000010000100000000110000010000100100000011011000010000011010001101111001010110010000110000010110110110111011111110,RVOLOYMFTYLFLU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NCC(OCC)C3CCOCC3,E1ED2AD12272BB10_470CF64004308E73_6041_UN,8.384813,00000000000000000000000000000000000000000100000000000000010000000100000000000001001100100001000110101100010011000010001011000110110111010110001001010001110111111111110,WJAZMUQIJBKZJJ-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCCCSC[Si](C)(C)C,323CD471629F966C_7D2A27BCF7E64B96_7022_UN,8.384709,00000000000000000000101000001010000000000110000000000000000000100010000000100000001000111010010000001000100110011001001000000000110001110010011010011111010110101111010,RHDLPLHPFVINPC-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC(=O)C4=CC3=C(C=C(C=C3F)F)[NH]4,4CD9BB1889FE9901_DE4025D94174FEA8_6038_DP,8.384691,00000000000000000000000000000000000000000010000000000010010000100100000000000001001100110001100110101100110101110000011011000100110111110110001001010001111011110111110,SQQHJYJTQHFRCH-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=CC=C(CCOC)C=C2,B9569E5036C31090_BB627A77903EC078_6035_UN,8.384492,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100010010101101000001101001101101011000011100010100110000101110001110101111111110,MZONXTQPUIOOJU-UHFFFAOYSA-N
+CC1=CC=C(S1)[S](=O)(=O)NC3=C(C2=CC=C(N(C)C)C=C2)C=CN=C3,05C826A7A4C39A46_E7ADB2C9652F6E0A_6026_UN,8.384389,00000000000000000000000000000000110010000000000000010001001111101101010001100001010101101000011010100010001000001000010011101100001001011100011011001111000010111111110,AJSNGYXVFHELCS-UHFFFAOYSA-N
+COC1=C(C=CC=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)Cl,61AFCAB8DB5CBF5A_5EA7A3298FE7CCCD_7022_UN,8.384351,00000000000000000000000000000000000000000000000000000000000000100000000000010001100101110011010110001001100110010101101001100111000001110100001111011111110011101111110,MIFSCFXVTSQSFR-AEFFLSMTSA-N
+COC1=C(C=CC=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F,A424D77D7C019629_D84B65B6719A1704_6041_UN,8.384345,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010110001000100110010101101001100111000001110100001111011111110011101111110,JEILXQHLJAIYKI-AEFFLSMTSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NC[C@H]3O[C@H](CC3)C4=CC=CC=C4,45734C1BDCC1BC5E_5D0152BC53B2B12B_6041_UN,8.384282,00000000000000000000000000000000000000000010000000000000010000100100000000000001001100010011000110101100010110000000001011000100110011110100001011010011110111101111110,MCRTWNQYBMKVAE-FXAWDEMLSA-N
+O(CC1(F)CNCC12COC2)C3=C(C(CC)C)C=CC=C3,A37191D9E10B1E17_B7A45ACE04C05BEC_6035_UN,8.384274,00000000100100000000000000000000000000000010000000000000010000000010000000000000001100110011000011001000010101001111000011000011110000100110000110000111110101111111110,IFVVCHQQNFMNRJ-UHFFFAOYSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NCCN2CCC(N(C)C)CC2)C3,F4088C1FBF05C802_CA83A220A4DDDB14_6041_UN,8.384135,00000000000000000000000000000000000000000000000000000000000000000000000000110001101101100001010010101000100010010000101011100000110001010110011001011101010110101111010,YRLXJWUBKQRZLC-UHFFFAOYSA-N
+O=[N](=O)C2=C(N=C1CCCCC1=C2)NC3=C(N(C)C)N=CC=C3,66869717269D07ED_7A8CFDDA366FAF3A_6041_UN,8.3841305,00000000000000000000000010000000000000100000000001000000100000010100001100100101000001100001011001100110010000010000001111101100111001010100001011011111000010111111110,QUAVJYIOBGDZQP-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)NCC2=CN=C(C(C)(C)C)C=C2)Cl,083A4CD9C003181A_83701F401B3A1C41_7022_UN,8.384124,00000000000000000000000000001000000000000000000000000000000000000110000000100000101000110000010000101001000101001101000001010111000001110110011111000111110111111111110,CSJYVNNWTKJKBX-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)NCC2=CN=C(C(C)(C)C)C=C2)F,2DB7A0F7E5748171_ADD639C6E2F18811_6041_UN,8.3841095,00000000000000000000000000001000000000000010000000000000000000000110000000100000101000110000010000101000000101001101000001010111000001110110011111000111110111111111110,MBSDTQCELGTZLE-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)[N]2C=CN=C2)C#N)N[C@@H]3C4=C(OCC3)C(=CC=C4F)F,D211B11E803DA92A_1D9BC6F840E61A3D_6041_UN,8.384042,00000000000000000000000000000000000000000110000000000000010000100100000000010101100101010010000011100100110101010100001011100100000011110100001011011011110011100111110,DCRWSCFSQYNVCT-INIZCTEOSA-N
+CSC1=CC(=C(C=C1)C#N)NCC2=NC=CC(=C2)OCCOC,AEB5DF745515B31E_0BD380925276BA02_6041_UN,8.383871,00000000000000000000000000000000000000000100000000000000000100001100000010000001111000101000010001101000000001010101101001000111000011010110001111010111110111111111110,MARIVPYSMGXIJC-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=NC=C2)CC3(CCNCC3)F,D0A14C04348345A0_2A99D8D2C29EC219_6034_UN,8.383841,00000000000000000000000000000000000000000010000000000000000000000110000000010000101111110001000010101100110100011000001011100100110100100110001001011001010110100111010,XJYWULCNRBWBOJ-UHFFFAOYSA-N
+NC2CC(OCCCC1=CC=CC(=C1)OC(F)(F)F)C23CCOCC3,CBB82B89975C65F6_58A8D808FE008FFE_6039_DP,8.383637,00000000000100000000000000000000000000000010000000000000010000000010000000000000000010100011000001100000111101011100001000000011110011100110000101110001110111110111110,AUGBVDXVGNVFPC-UHFFFAOYSA-N
+CN(CC1=CC2=C(C=C1)OCC2)[S](C4=C3C=NC=CC3=C(OC)C=C4)(=O)=O,6BEADA4F8010745F_FF0F4A091A1BA41E_6029_UN,8.383576,00000000000000000000000000000000110000000000000000010001011111001101000001000000010100101000011010101110011001001101011011101111101010001110101111111100110111111111110,NMHYLQADOWFZOI-UHFFFAOYSA-N
+O(C1CCNC2=C1C=C(C=C2)Cl)C3=C(OC)C=C(C=N3)[N](=O)=O,11D79BB54B162BCA_9BC279AD7005E89D_6035_UN,8.38352,00000000000000000000000010000000000000000000000001000000100000010100001110000001001000010001111101101111110100110100011111101111001011110100101111111011110011111111110,YLGPTPVSWWKXCE-UHFFFAOYSA-N
+N2CC(OC1=CC=CC(=C1C#N)C#N)(C2)C3=CC(=C(C=C3)F)F,9181ADDD9EB88962_AA8F3802523198F3_6003_DP,8.383473,00000000100100000000000000000000000000000110000000000000000000100010000000000000001000110010000101001000000100001100000001000111000010100110001111000011110001100111110,RJVBEUKEBXBULP-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC2=C(COC)C=C(C=C2)[N](=O)=O)Cl,BB9C01DF5CD7ACD6_B386FF818691C3F2_7022_UN,8.383362,00000000000000000000000010000000000000000000000001000000100000010000001100000000000000110010011001000011000101000101000100101111001001110000101111101111110111111111110,ZNPOBFWRRCGYDA-UHFFFAOYSA-N
+CCOC1=CC(=CC=C1)OCC3C(C2=CC=C(OC)C=C2)N(CC3)C,1060245F1A3D7035_E044A4DE357EA3EF_7022_UN,8.383349,00000000000000000000000000000000000000000000000000000000000000100000000000010000000101100100010011001000000011010111101001100111110000000110010101111110110111111111110,OEXCDXQAJZPZMY-UHFFFAOYSA-N
+O([C@@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C5=CC4=C([NH]C(=C4C)C)C=C5,D5FB69D8E279A696_005BBA170AB14DF2_6035_UN,8.383309,00000000000100000000000000000000000000000010000000000000010000000110000000000000000100010100000010100100010100001100001011000111110010100100000111010111100011011111110,IKCJHWNFJMZXPU-OAQYLSRUSA-N
+O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NCCC[N+](C)(C)C,51B1583338285D71_EB90ABB325ECCD29_6041_UN,8.382854,00000000000000000000000010000010000000100010000001000000100000010100001100100101101001110010011001101110110110011001101101101100001001110110011001011101010110111111110,SHWJYFFAVUXUKY-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=CC(=C(SC)C=C2)Br,564C45CA7B371639_82FF45DAD21DC61B_6035_UN,8.382714,00000000000000000000000010000000000000000000001001000000100100011000001100000000011000011000011101001010100101010100001100101111001011110010101111111111110111111111110,IQIPHMYUKIFYBD-UHFFFAOYSA-N
+COC2=C1C=CC=NC1=C(C=C2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3F,ECD07FC9A078652C_1FA5650344FB1BF1_6041_UN,8.382653,00000000000000000000000000000000110000000010000000010001001111001101000001100001011000111000011001101110011100001100010001101111001001111100011111101111110111111111110,RBLZOEUPIIAGKX-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2)OC4=CC=C3C=CC=CC3=C4CN(C)C,0E9ED6BB3CF753A7_093D23D0B5BF306D_7022_UN,8.382553,00000000000000000000000000000000000000000000000000000000010000000000000000100000000101100000010011001100010001000101001000100111000010000110000111011110110101111111110,FTEWFKBQZIUMQG-UHFFFAOYSA-N
+O(CC1(CC1)C2=CC=CS2)CC3=CC=CC(=C3F)C#N,C6AA261D43259B70_B22853FF2E728A3E_6039_UN,8.382297,00000000000000000000001000000000000010000110000000000000000000100010000000000000010100111000000010000000000101001000000000000110110000100110000010010010010101000111110,SZMHNPQRKUAXPQ-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C4(OCCC2=CC3=C(C=C2)OCCO3)CCNCC4,4C35BD29443D309B_6D0A988998C38197_6039_DP,8.382098,00000000000000000000000000000000000000000000000000000000010000100010000010000000001000100001000001101100110011011100001011000111110010000110000111110011110101111111110,HFAWRJJVIKPVEW-UHFFFAOYSA-N
+C2(=C1OCCCC1=CC=C2)NC4CC3=C(C=C(C=C3)Cl)C4,4933E9EE4EC64168_44C3267C3BEE1A88_7022_UN,8.382063,00000000000000000000000000000000000000000000000000000000010000000000000000000000000000010001000110100101110101010100001000000100110011110100000011010001110011100111110,JAUNPKAPCKPUSQ-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=C(C#C[Si](C)(C)C)C=CC=C2,33729F71F9FA53CD_97B394B800059E79_6035_UN,8.382059,00000000000000000100100000000010000000000010000000000000000000000000000000100000001000100011010001101000101101011100001001000011110000100110010111011111110111101111110,INBWXRFWOYFHOA-RDJZCZTQSA-N
+COC1=CC2=C(C=C1)C=NC(=C2)NCC(C)(C)CC#N,F481F7CD9D4FC2E5_486CCFC67ACE0B53_6041_UN,8.381185,00000000000000000000000000000000000000100100000000000000000000000110000000100100001000000010010000101100010000011101000001000111000001010100011101000101110111101111110,MKCNOQFHFYZMSI-UHFFFAOYSA-N
+O(C(=O)CC1C2=C(NC1)C=CC(=C2)C#N)CC(CN)CC3CC3,1CA010F711DEC194_C054E842B2B70198_6031_UN,8.380885,00000000000000000000001000000000000000000100000000000000000000000000000000000000001110000011000011001100010001000000000001010010110110010110001010010001011111110111110,CYFVJMMZIOODLA-UHFFFAOYSA-N
+CSC1=C(C(=CC=C1)C)N[S](C2=C(C=C(OC)C=C2)CBr)(=O)=O,285B40ECC043F5C1_BADA62AE4D2ADAE8_6029_UN,8.380766,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000001001011000000010001000001100010000001111001001111000010111101111110111111111110,SDIJXOUIKNFBRA-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCOC2CCC2,3772EB28A3E4B6F7_539E9C62AA6CC10B_7022_UN,8.380755,00000000000100000000000000001000000000000000000000000000000000000010000000100000001000100001010100001000100001011101001000010011110011010010010110110111110111111111110,NUVVNPYZAZBLGH-UHFFFAOYSA-N
+CCN3CCC1=C(C=C(C=C1)NCC2(COC)CCOCC2)C3C,48EAF2C0EA3727A0_147C87EDFC21547B_6041_UN,8.380561,00000000000000000000000000000000000000000000000000000000010000000010000000010000001001100011010001101100010011011011101011100010110011010110011011011111010111111111110,MWHIILJXUVPJCU-UHFFFAOYSA-N
+FC(F)C2=CC(=O)C1=C(C=CC(=C1)Cl)N2CC3CSCC(N3)C4=CC=CC=C4,C93D87AA4394BF10_A97A7C94608766A6_6034_UN,8.380457,00000000000000000000000000000000000010000010000000000000000000100100000000010001000001111001000001101101110100010100000011100101100000100110001111001011111110100111110,XSRMHACNBVQFFE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)S1)NC2=C(C=CC(=C2)OC)C3CC3,986CD618DCB79D64_AC8B5E405E928587_6026_UN,8.380406,00000000000000000000001000000000110010000100000000010001001111101001010001000000010100001001011011000010001000001100010000001111001001011100001110111011100011111111110,BJSKDAGXERAAGY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C3=C(C2)C=CC=C3)N4CC(CSC)(C4)C,44C417937D615271_937255F5FE7EC08C_6026_UN,8.380204,00000000100100000000000000000000110000000000000000010001001111001011000001010000010000101000011010001110011010001001010001101100101000001110000011001100010110111111110,KEAQRUBJKKTYHR-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=C(CCOC)C=CC=C2,DBB62A6092CACEAE_537A3B706F3AF924_6035_UN,8.379782,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100010010101101000001101001101101011000011100010100110000111110011110101111111110,XPVSFLBXPMOCIH-UHFFFAOYSA-N
+CC3(COC2=C1C=C(C=CC1=CC=C2)C#N)COCCN3,4351B008931A69DE_97CC3BFAB3BD7E6D_6035_UN,8.3795395,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100101000100101100110011011101101011000111110010000110001101010001110111111111110,FWZDOVCTZIPHSM-UHFFFAOYSA-N
+CCC1=CC(=C(C=C1)CC)NCC2=C(OC)C=CC=C2F,948074A651FB6F7A_79B5F91344FF4AC6_6041_UN,8.379446,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000010011010001001000000110000110000000000111100001110000010111000111110111101111110,GAZUXBMKFLEQKQ-UHFFFAOYSA-N
+N1CCC(CC1)C(OCC2=CC(=C(C=C2)C#N)C)C(F)(F)F,22EDD053AF115A3F_FEBFA4FBF5653277_6039_DP,8.379389,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000100001000000101000101111011000001001000010110000100110001011010011110101101111110,SFIHSOIUSLWSLA-UHFFFAOYSA-N
+CCCC1=CC2=C(C=C1)N=CC=C2NCC3=CC(=C(C=C3)N4CCOCC4)F,771A89333F394D75_E831C3F917162676_6041_UN,8.378854,00000000000000000000000000000000000000000010000000000000010000100100000000010000101001110000000100101100010101010011001011100100110011110110001011011011010111101111110,SQFXYOQRRONPKH-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(COC)CCNC2)C=CC=C3Cl)CCN,AC9714DE851B915C_836120C704EA6937_6034_UN,8.378764,00000000000000000000000000000000000000000000000000000000000000000110000000010000101111110011010011001101110111011001101011100110110100100110001010011111010111101111110,XTONJKWOHKPWDO-UHFFFAOYSA-N
+C1(=NC=C(C=C1)N=C=S)NCC2=C(N(CCOC)C)C=CC=C2,68FBF32728C60116_AB50AFFEB10CD0A8_6041_UN,8.378335,00000000000000000000000000000000000000100000000100000000000000000100000001000111101001101000010100101000000011010001101101100110100011010110001011011111010111101111110,GVIZOCRNEGRKTL-UHFFFAOYSA-N
+NC3(CCOC2=CC1=C(C(NC(C)C1)C)C=C2)CCC(F)(F)CC3,62BC0A299C6A279B_2DACE582B03272B7_6035_DP,8.377683,00000000000000000000000000000000000000000010000000000000000000000010000000000000000010010011000001100100110111011101001001000011110111100100001111010101110111101111110,KAFIPSHBMNLEAI-UHFFFAOYSA-N
+COCCOC1=CC2=C(C=C1)C=C(C=C2)NCC3(CC(CN3)(F)F)C,1A0C31672837186B_429BEF7F716D244D_7022_DP,8.377592,00000000000000000000000000000000000000000010000000000010000000000010000010000001001100110011010010001100110111011101101001000111110111110110001101010101110111111111110,CZDAUKWOSCUUFB-UHFFFAOYSA-N
+C1(=C(C=CC=C1)OC2CCCCC2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,9134D2C81317BCF2_6D32DC65DCD37DDF_7022_UN,8.377392,00000000000000000000000000000000000000000000000000001000010000100100000000010000101101100001011110101000000011010101101011101111110011010110001111011111110111111111110,ZXUXWTAROLNMKB-VXKWHMMOSA-N
+O(CC1=CC=C(C=C1)C[N]2C=CC3=C2C=C(C=C3)[N](=O)=O)CC4=C(OC)C=C(C=C4)[N](=O)=O,01C29E83DFEDF7A5_B9FA6C32CC0B4666_6039_UN,8.376409,00000000000000000000000010000000000000000000000001000000100000010100001100010000100101100100011011001110010011000100000101101111001001011110101111101010110111111111110,HHZXPUBKXACMNM-UHFFFAOYSA-N
+COC2=C1N(C=CC1=CC=C2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,A2539BCB6F0C31AD_E512FA26A8FCEBD6_6034_UN,8.376096,00000000000000000000000010000000000000000000000001000000100000010100001100110001000101100000011111001110010000000100000101101111001001010100011111101110110111111111110,OGIJVQCKROFWAJ-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NCC2=C([S](N(C)C)(=O)=O)C=CC=C2F)C=CC=C3,BBDE4F65F3D4B021_CED69D8905ED61D2_6041_UN,8.375863,00000000000000000000000000000000110000000010000000010001001111001001000001100000011000111000011001001110011100001100010000101111001001111000011111101111110111111111110,BJTHBXVOVLIFQS-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CC2)C#N)NC4CCN(C3=C(CC)C=CC=C3)CC4,D49EC3C7159A1BDA_1FA2133389F33C7C_6041_UN,8.375591,00000000000000000000001000000000000000000100000000000000000000100010000000010000100001100011000000101000100000011010001001100100110001010110001011011011010110101111010,ICFHBRKPIKFRTE-UHFFFAOYSA-N
+CC2(COCCC1=CC=C(F)C=C1)CCCN(CCC#C)C2,25ED636D4487EB7E_26A37A61AF185F2A_6039_UN,8.375448,00000000000000000100000000000000000000000010000000000000000000000010000000010000000001110000000001101000000111011001101001100010110010100110000001011000010101101111110,GLHDCWIMTMMENB-UHFFFAOYSA-N
+CSCCC(OC2=C1N=CC=CC1=C(C=C2)CN3CCOCC3)CN,550F77CF8D4AEAEC_69C837DF125AD29B_6035_UN,8.375427,00000000000000000000000000000000000000000000000000000000010000000100000000010000001011101011010100101100010001010101101011100111110010000110001101011001110111111111110,HFYJFZKQUKAFJL-UHFFFAOYSA-N
+COC1=C(C=C(C=C1F)NC2=CN=C(C=C2)N3CCCC3)[N](=O)=O,E2B44EA3FF9A9796_195BC20D60A7E36D_6041_UN,8.375303,00000000000000000000000010000000000000100010000001000000100000110100001100010101100101110100011110101010000100010100001111101111011001110110001111111011110011111111110,IELWPWZWGIQPMD-UHFFFAOYSA-N
+C[S](=O)(=NC1=CN=C(C=C1)NC2=C(C=C(CCCC)C=C2)C#N)C,2596F38E40A22818_81E630CD1A1CB21F_6041_UN,8.374943,00000000000000000000000000000000110000100100000000010000001011000101000001100101100000101000011000100010000000001011111101001100001001010100011011011111000110101111110,CBOUYZGSWVKMOP-UHFFFAOYSA-N
+CC(C)(C)[C@H]1C[C@H](CNC1)COC2=CC=C(C3=C2CN(C)CC3)F,8C351AD01FBF9D2F_9C8D77CC864C2B05_6035_UN,8.374587,00000000000000000000000000000000000000000010000000000000000000000010000000110000001001110010010001101100010101011101101011100011110000100110011111011101110101101111110,JFOODXZRBFICQK-CABCVRRESA-N
+CC(C)(CC1=CC(=CC=C1)NCC2(COC)CNC2)C#N,AF5F495DAFA222AC_732D97F49B80DBFA_6041_DP,8.374068,00000000100100000000000000000000000000000100000000000100000000000010000000100000101000100011010001001000000011001001000001000010100101010110011000000101010111101111110,YCUIKINUESORGO-UHFFFAOYSA-N
+CC(=O)CC1=CC(=C(C=C1)NC2CCN(C)C23CCCNC3)F,E8198340C57621EE_EC6B0616EFF98091_6041_DP,8.373946,00000000000000000000000000000000000000000010000000000100000000000010000000010001101101110011010010101000110110011001101011100000110111110110001011011111111110101111110,SACKLFNRYGECBC-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NC3(CC3(C)C)C#N,AA79D812DFE9E60F_B6B0341A2C24E6BB_6041_UN,8.373915,00000000000000000000001000000000000000000100000000000000000000000110000000100001000000000010000000100100110000011001100001000100000001010100001001000111000010101111010,GEVYSUYEZJBNCG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2CC#N)NC3(C)COCCC3,979AE21B927F6B15_2A515ED9237E3B17_6041_UN,8.373761,00000000000000000000000000000000000000000100000000000000010000000110000000000000000100100011000110100100110011011001101011000100110111010110001001010001010111101111110,VFLXYHNJKVODBG-UHFFFAOYSA-N
+CN(C)[C@@H]3CCC[C@H](OC2=C1C=CC=NC1=CC=C2)C3,9DDF6C0209870FD4_71CB78DF13B5C88C_6035_UN,8.373607,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010001100100010010010100101001100111110011000100001101011100100011101111110,AEOSEGNTHIHJNT-KGLIPLIRSA-N
+COC1=CC2=C(C=C1)[NH]C=C2NCC3=CC=C([S](N(C)C)(=O)=O)S3,C3DB45488C0D8F45_2ABD7EC602B38D98_6041_UN,8.373573,00000000000000000000000000000000110010000000000000010111001111001101000001100001111100101001011010001110011000001100010011101111001101011100011100101101110111111111110,WDAMMJREZSAHPZ-UHFFFAOYSA-N
+C[C]4(C)C[C]3(C[CH](OC1=CC=C(C=C1)CCC2CCNCC2)C3)C4,2D367DA1D9C8D225_2518B83548D06A6C_6035_UN,8.373358,00000000000100000000000000000000000000000000000000000000000000000010000000100000001000100001000000101000110010011101001001000011110010000110000101010101110101101111110,BNTSMLCYWBZQOE-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=CC3=C(C=C2)N=CC=C3,AEE9AA5B19C02569_AD32D23A3091C5E0_6035_UN,8.373076,00000000000000000000000010000000000000000000000001000000100000010100001100000000001000000000011101101110110001010100001101101111001011010110101111111011110111111111110,YIKNLYNIBCIWEF-UHFFFAOYSA-N
+COCCOC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC=CC(=C2)N(C)C)C,12924E6081B0EA0C_ED67178E0CAC212A_6026_UN,8.372986,00000000000000000000000000000000110000000000000000010001001111001001010011100000110001101000011000000010001011001101111000101111001011011010111111111111110111111111110,KXELOFRPORLINL-UHFFFAOYSA-N
+COC2=C1C=CN=CC1=C(C=C2)NCC(OC)(C)COCC3=CC=CC=C3,C309F3BEED9FBE35_B7008E15244B9D83_6041_UN,8.372746,00000000000000000000000000000000000000000000000000000000000000000110000010000000101000100010010101101100010011001101100001000111100011010110011101100101110111111111110,TZPPQRYRQOKJLF-UHFFFAOYSA-N
+C2(=C(C=C1[NH]C=NC1=C2)C#N)NC3=C(C=NC=C3)[N](=O)=O,4F6B7E26BBA68CE5_1AFF193B2C275758_6041_UN,8.372426,00000000000000000000000010000000000000000100000001000000100000010100001100000101100100000000001011100110010000000000000111101100001101010100001011001011000010110111110,VHKKTHOAAAGFKN-UHFFFAOYSA-N
+CCOCC(OC1=C(C=C(C2=C1N=C(C)C=C2)Cl)Cl)CN3CCNCC3,46BD342EF0D555A4_7C9728EFFC7BB2FF_6035_UN,8.372315,00000000000000000000000000000000000000000000000000000000000000000100000010010001001001110001000101101101110101010110101011100111110010100110001111011111110111111111110,RDYUSLLLZLDZDI-UHFFFAOYSA-N
+CC1=C(N=C(N1CC3(CC2=CC=C(C=C2)F)CCNC3)C4CCCN4)C5=CC=CC=C5,3F298D0907B75A6C_9E2E6CAD4BBA2314_6034_UN,8.372206,00000000000000000000000000000000000000100010000000000000000000100110000000010101101101110011000010001000100100011000101011100100110100100110001011011011010110101111010,NCJRBIMZLJYBLK-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1NC(C)(COC2=CC(=C(C=C2)F)F)C#N)C3,03DC81EAFFADDC85_680E706A8F853E24_6041_DP,8.372091,00000000000000000000000000000000000000000110000000000000000000000010000000000001001000110011000101101100110101011101001001000111110101110110001111010011110111101111110,XUXSWCCWVCAWJE-UHFFFAOYSA-N
+N(CC1=CC2=C(N=C1)C=CC=C2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,3FFD496E15C232D5_552BC3E558F577BA_6028_UN,8.372064,00000000000000000000000000000000110000000100000000010001001111001101010001000000111000001000011000101110011000001100010001001111001000001100001111101011110111111111110,HHRKEUHTSAKVCG-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)OC[C@@]23CCN(C)C[C@H]2CNC3,72CCFF776C4D1FC3_82B86F0448696EAE_7022_DP,8.37189,00000000000000000000100000000010000000000000000000000000000000000010000000110000101101100011010011101100010011011101101011100011110000000110011101011101110101101111110,LINDVDASISNHLN-QAPCUYQASA-N
+C2(=C1CC=CC1=CC=C2)NCCN3CCN([S](C)(=O)=O)CC3,26E6D3C93DF31E16_31A6EDB0A9B4214A_6041_UN,8.371744,00000000000000000000000000000000110000000000000000010001001011001001000001010001011001101011011010111110111010011000111011101000111001011110001011011001010110111111110,ASLFBHREWFTIMO-UHFFFAOYSA-N
+O(CCC1=CC2=C(C=C1)COCC2)CC3=CSC(=N3)C(C)(C)C,F5173F836FFF12E4_DC3197FCDEE9AE13_6039_UN,8.371447,00000000000000000000000000000000000010000000000100000000010000000110000000100000010100101000000110100100010001011000001011000110110010000110010011010100010111011111110,BFMTUOPGUYSGBH-UHFFFAOYSA-N
+C1(=C(C=CC=N1)CC#N)NC3=CC2=C(C(C)(C)CO2)C=C3,4A8EE0B5197AAD54_35E7556E575F14F7_6041_UN,8.371334,00000000000000000000000000000000000000100100000000000000010000000110000000100100000100000010000011100100010001011101000011000100000001010100001011000111110111101111110,YRTQTFWTMDQHKK-UHFFFAOYSA-N
+COCC1=CC(=C(N=C1)OC)COC3=C(N2CC(C)(C)C2=O)C=C(C=C3)N,8295DF9616864BE1_3FBE0D96572FBA1D_6035_UN,8.371287,00000000100100000000000000000000000000000000000000000000000000100110000000110000100011100100110101101000000011101101010011100111100001010110111111101111111111111111110,TVKKDLNCEJCJCC-UHFFFAOYSA-N
+COCOC1=C(C=CC=C1)[S](=O)(=O)NC2=C(N(C)C)C=NC=C2,D921C384418FC742_C385C404FDF8FE15_6026_UN,8.370893,00000000000000000000000000001000110000000000000000010001001111001101010001100001110001101100011001100010001001001101010001111111001001011100111111101111110111111111110,VCGAUHUSPGFRHV-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=CC=CC1=C(C=C2)NC4=C3C=CC=NC3=C(C=C4)[N](=O)=O,CFEEC4E30253226A_62E626531852E46C_6041_UN,8.370434,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000000001001100110010000000000000111101100001001011100101001101001000010110111110,BVPAQCLKHYCAOO-UHFFFAOYSA-N
+COC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C)CC4CNCC(O4)C(F)(F)F,81D35606E3924AD2_1DA789CA3F17767E_6034_UN,8.369977,00000000000000000000000000000000000000100010000000000000010000000100000000010101101101100010010110101100011100001100100011100111100111110110001111001111110111111111110,PZNYSMBWLRFYIS-UHFFFAOYSA-N
+C(N1CCNCC1)C3=CC2=C(C=CC=C2)N3CC4(C)CCOCC4,08607FDFC78C0452_2D300759878FA14B_6034_UN,8.369922,00000000000000000000000000000000000000000000000000000000010000000110000000010001001101100001000010101100110001011001101011100100110010000110001011011011010111101111110,DVGQLMJUMGWFRJ-UHFFFAOYSA-N
+COC3(CC(COCC2=CC1=C(C=C[NH]1)C=C2)(CN)C3)OC,120F8D781B921485_F2D91E86B2AEBD1F_6039_DP,8.36987,00000000000100000000000000000000000000000000000000000000000000000110000000000000001110100011010011001100010001001000100001010111100110000110001100100101110111111111110,QBWXGTMRFZKEPC-UHFFFAOYSA-N
+CN(C)CC1=CC=C(C=C1)[S](=O)(=O)NCC2=C3C(=CC=N2)C=CC=C3,7AE2423574985825_7450C06D0DB71BAB_6026_UN,8.369821,00000000000000000000000000000000110000000000000000010001001111001101010001100001011001101000011000101110011000011001010001101100001000001110001001001101010110111111110,CECGJGDPLNKXPN-UHFFFAOYSA-N
+CC(COC1=C(C=C(SCC)C=C1)C)(N2CCNCC2)C3=CC=C(C=C3)Br,B096A68E757F9F21_7CBED0E5D14E7343_6035_UN,8.36967,00000000000000000000000000000000000000000000001000000000000100001010000000010001011001111001000100101000100111011111101011100111110000100110011111011111110111101111110,GWBJXXGKAYMNTK-UHFFFAOYSA-N
+O(CC2COC1(CCCC1)O2)CC4=CN=C(C3=CC=C(C(C)C)C=C3)S4,B27052123B6AEB7B_22D9AD5A62B4CC6F_6039_UN,8.36932,00000000000000000000000000000000000010000000000100000000010000100100000010100000010100101100000011000000010001001000001011010110110010000110000000110100110111011111110,ODXSNECDLJKEGG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C=C2C3CC3)NC4=C([N](N=C4C)C)C5CNC5,2634D13DAC8BB3D8_5398DDE3EFF84957_6041_DP,8.369202,00000000100100000000001000000000000000000000000000001000000000100100000000010001101100100011011010001100010010000000000011101100000101010110001010011111010010101111010,TVVXHLBREKEHBQ-UHFFFAOYSA-N
+N[C@H]1[C@@H](OCC1)C2=CC(=CN=C2)C3=CC(=C(C=C3)Cl)OC(F)(F)F,DB49E811F7737920_971E61F6921BB9EE_6004_UN,8.369,00000000000000000000000000000000000000000010000000000000010000100100000000000000000110010011000111100001101101011100001011000111000011100100001111010011110011110111110,HNENGVBZTWGGES-HIFRSBDPSA-N
+N(CC1=CC2=C(C=C1)C(=O)CC2)C(C3=CC=C(C(N)=O)[NH]3)=O,C163C36FCE2A17D8_E03451701576EFCD_6038_UN,8.368925,00000000000000000000000000000000000000000000000000000010000000000100000000000001001110000001100110001100010000100000011001000101100110001100001110110001111110110111110,LHOBHZGHVXTSRI-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=CC(=C2)[S](=O)(=O)NCCOC3=CC=C(C=C3)C#N,AB4CEE5F9D4180D6_1DFE79DB71981BAC_6026_UN,8.368884,00000000000000000000000000000000110000000100000000010001001111001101010001010000011101001000011110001110111001011100011001101111001010001110001101111001110111111111110,BJKOBHMRHRFDDM-UHFFFAOYSA-N
+CN(C)C1=CC(=C(C=C1)C)NCC2CC3(CN2)CCOCC3,BDC5E96FDB801E19_F53B25EAFFE16237_6041_DP,8.368717,00000000000000000000000000000000000000000000000000000010010000000010000000100001101101100011010010101000110011011000001011100000110111010110011011011111010111101111110,BPAAKVCUBYYMPV-UHFFFAOYSA-N
+BrC2=C1C=CN(C1=CC(=C2)C#N)C[C@H]3[C@@H](CCNC3)C4=CC=C(C=C4)F,3B5EA7F553791479_189595EB756725F3_6034_UN,8.3686905,00000000000000000000000000000000000000000110001000000000000000100100000000010000101101110011000010101100110100010000001011100100110000100110001001011011010110100111010,ZCEBBRCGVSUNHV-WMZOPIPTSA-N
+N(C2=C1CNNCC1=CC=C2)C(=O)CC3=CC=C(C=C3)C#N,A8177EBC730BF6C9_58D9599E07102D4B_6038_UN,8.36859,00000000000000000000000000000000000000000100000000001100000000000000110000000000101000000011101000101100110000110000010011001100010111010110001011000001011110100111110,AOZQSUYAMILQOH-UHFFFAOYSA-N
+N(C1=C(C=CC=C1)N2CCOCC2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,E3383BE2813B8301_E1515C48E60FB96C_6028_UN,8.368256,00000000000000000000000000000000110000000100000000010001011111101001010001010001010001101001011100101010001001011100011011101111111011011110101111111011110011111111110,VNPZHKTWPZIFQK-UHFFFAOYSA-N
+CN(C)CCC2(OC1=C(C=C(SCC)C=C1)C)CCNCC2,8835BDB54D8D0F4C_234AD02C254A96B2_6035_UN,8.368197,00000000000000000000000000000000000000000000000000000000000100001010000000100000011001101001010001101000100000011111101001100011110010000110011111011111110101101111110,FRAMHOJCYBUSRU-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NC3CCN(C2=CC=C(N(C)C)C=C2)CC3,E1C15F8E20DCA599_C4A182C52AD2C3F6_7022_UN,8.367867,00000000000000000000000000000000000000000100000000000000000000100000000000110000100001110010010000101001100100010000001001100100110001110110001001011101010010101111010,YOVFOCOQBJNEGI-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)F)C1)C2=CN=C3C(=C2CN(C)C)C=CC=C3,ECC9E0733AF34DD4_876C715F699BED54_6035_UN,8.367786,00000000000000000000000000000000000000000010000000000000000000000100000000110000000101100000010111101100010100010101001011100111110010100110001111011110110111101111110,DGKGANHZBGIPCT-ZDUSSCGKSA-N
+COC1=NC=C(C=C1)NCC(C)(C)C2=CC3=C(C=C2)OCO3,73009AB7105CBE8F_C4BF5C2498FC0854_6041_UN,8.367319,00000000000000000000000000001000000000000000000000000000010000000110000010100001001100000000110010101100010001101101010011010111000001010110011111100101110111111111110,QHBMEYSFOHRKCL-UHFFFAOYSA-N
+CCC1=NC(=CC(=C1)NCC2(CNC2)C3=NC=C(C=C3)F)C#N,7FBDA08A657E7F5C_D4B7198B4A96AB8B_6041_DP,8.367297,00000000100100000000000000000000000000000110000000000100000000100110000000000001101000110011000000101000000100011010000011000100100101110110001001000001010110101111010,UYXFROGIGJQHEJ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)N4CCC3=C(C=C([N](=O)=O)C=C3)C4,FAED09BE879247CB_74B23C39D85514C9_6026_UN,8.367275,00000000000000000000000010000000110000000000001001010001101111011001001101010000010000111000001000101110011100011000011101101100111001111110101011111000010010110111110,YJJVILYJLGDGEJ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C(C=C(C(=C4)Cl)F)[N](=O)=O,76426AEAB91D4066_835B202DDB2A4609_6041_UN,8.367045,00000000000000000000000010000000000010000010000001000000100000010100001100000001000100111011001011100111110100010000001111101100111101110110001011011011010010110111110,DKUUPRWOVFOFBQ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C3=C2CSCC3)NC4=C(C=C(C(=C4)F)F)[N](=O)=O,DF3E4A520E57874A_BD99307266727BAE_6041_UN,8.367043,00000000000000000000000010000000000010000010000001000000100000010100001100000001000100111011001011100110110100010000001111101100111101110110001011011011010010110111110,LOXGWAPJWSXNCF-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CC#N)NCCCC2=CC=C(N(C)C)C=C2,715364756F818395_0E9178D470C5940B_6041_UN,8.366892,00000000000000000000000000000000000000000100000000000000000000000000000000100000001001100010010100001000100000010100001000100111100001010000011111011111110111101111110,NZJBZKRSIHDKET-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC(=C1)F)CNCC2)CC3=CC(=CC(=C3)F)C#N,7DEB4578DB45D9ED_F19DD2543E7CE1DA_6031_UN,8.366827,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101100110101010000001001010110110000100110001011010001011101110111110,NIRWAPWYYINIAZ-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC(=C1)F)CNCC2)CC3=CC(=CC(=C3)Br)C#N,65E964E2F3705D81_700BF0A05570AD9B_6031_UN,8.366817,00000000000000000000000000000000000000000110001000000000000000000000000000000000001000110001000000101100110101010000001001010110110000100110001011010001011101110111110,ZNURMOMCWUEVCS-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC(=C2)Cl)CC3(C)NCC(C3)(F)F,DBB57FB121184D90_FC20604701D3D552_6034_UN,8.366805,00000000000000000000000000000000000000000010000000000000000000000110000000010001001111010011000010001101110110011001101011100100110100100110001000011001010110101111010,KGYQRNCOHKGYBZ-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC(=C2)F)CC3(C)NCC(C3)(F)F,63B04172498C79EA_FE52B0CF908C41E4_6034_UN,8.366799,00000000000000000000000000000000000000000010000000000000000000000110000000010001001111010011000010001100110110011001101011100100110100100110001000011001010110101111010,NZSSECSMFYKBPE-UHFFFAOYSA-N
+COC1=CC2=C(C(=C1)OC)N(C=C2)[S](C3=CC4=C(C=C3)CCC4)(=O)=O,C956C3E9C3A82A0E_353AE9789DF08157_6028_UN,8.366405,00000000000000000000000000000000110000000000000000010001001111001101000001010000010100001100011110000110011000001100011001101111011000001100100111111100100011011111110,TUDLPZFYBNPEBG-UHFFFAOYSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)OC3CNCCC3(OC)OC,CA5190732C93CB64_EA5859CA5572124B_7022_DP,8.366384,00000000000000000000000000001000000000000000000000000000000000000000000010000000001000100001010101101100110011011101101001010111110010000110110111110111110101111111110,OXEOEROGQKMQRF-UHFFFAOYSA-N
+N3C[C@@H]2CC[C@H](OC1=C(C(=CC=C1)OC(F)F)C#N)[C@@H]2C3,123A206D3F2F4680_54C8C7DA636C01BF_6003_DP,8.366291,00000000000000000000000000000000000000000110000000000000000000000000000000000000001100100111000011001100011100000100001001000011110010100110001110010011110001110111110,WTCWBNGWQZOHFR-PXWWUCIGSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3CCNCC3)CC4(C)CN(C4)C5=CC=C(C=C5)F,4ACBAD7ED85DEF63_D704A7A58F7F4437_6034_UN,8.366246,00000000100100000000000000000000000000000010000000000000000000100110000000010000101101110001000010101100110100011011001011100100110001110110001001011101010110101111010,GFAAXQOYTPZUNE-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC3CC(OCC)C34CCOCC4,F73ACE3F3F53814A_854F6290F5A0D8E0_6041_UN,8.366031,00000000000100000000000000000000000000000010000000000000010000000110000000000000000000110011000001100100110111011010001011000111110011110110001101010001110111111111110,WVPVTPJVJNPSFV-UHFFFAOYSA-N
+O(CC1(F)CNCC12COC2)C3=CC=C(C=C3)C4NCCC4,7933071361F2AF07_8C6D652A1025FF3E_6035_UN,8.365632,00000000100100000000000000000000000000000010000000000000010000100010000000000000001100110011000011001000110101011100001011000011110100100110001100010001110111110111110,UHUILAHBUUPWFI-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC2(Br)CC2,EFB0434601A18AD2_4459C789B751C944_7022_UN,8.365384,00000000000000000000001000001000000000000000001000000000000000000010000000100000001000110011010100001000000101001101000000010011010001110010010110010111110111111111110,PNSOHTSUNFYHQT-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C2=C(C=CN=C2Br)C#N,C7EBD094A3EFA07B_EB095CFD93B9B6B9_6035_UN,8.365174,00000000000000000000000000000000000000000110001000000000010000000100000010000000001000110010000101101000001101001100000011000011100010100110001111000011110111110111110,BQQXHFCEMTVPRL-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)OCC2=CC(=CC=C2)Cl)NC3=C(N(C)C)C=CC=C3Br,FDA86FCB0D662EDD_9107F95EC95B5704_7022_UN,8.365156,00000000000000000000000000000000000000000000001000000000000000000000000000100001000001110000010000000001000101000100000000100111000001110000011111001111110111101111110,BJTJNCADPHRJBM-UHFFFAOYSA-N
+C2(=C1N=C([NH]C1=CC=C2)CC#N)NCC(C)(C)N3CCSCC3,ECFB7361D141AD9B_08DE65AA07531D8A_6041_UN,8.365022,00000000000000000000000000000000000010100100000000000100000000000110000000110101101101101001000010101100110010011001101011100100110101010110001001011101010110101111010,XVAWDMCGSJPXNO-UHFFFAOYSA-N
+COC(=O)C1=CC2=C(C=C1)N(C3=C2CNCC3)CC4=C(C=CC(=C4)N)F,3DC263D4429F8B9A_789897EB02E9458A_6034_UN,8.364651,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111110001010010101100110100010000001011110110110101110110001011011011011111111111110,XHYNKZHJESXPKE-UHFFFAOYSA-N
+COC(=O)C1=CC2=C(C=C1)N(C3=C2CNCC3)CC4=C(C=CC(=C4)N)Br,2490988931297D7A_AC95B1DEBB7CB9F6_6034_UN,8.364629,00000000000000000000000000000000000000000000001000000000000000000100000000010000101111110001010010101100110100010000001011110110110101110110001011011011011111111111110,UMTROIYNCKYSAI-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NCC3(N(C)C)CCSC3,5AC11B05DA718F18_72A6F121C9A3BC3A_6041_DP,8.364592,00000000000000000000000000000000000010000000000000000000000000000010000000100001001101101011010011101000100011011000101011100011110111010110001101011101110111101111110,IZYMNOQEDXKVCW-UHFFFAOYSA-N
+O(CC1CCC(F)(F)CC1)C3=CC2=C(N)C=CC(=C2C=C3)C#N,B43CF74FC5533323_2004DDEB831CEF19_6035_UN,8.364306,00000000000000000000000000000000000000000110000000000000000000000000000000000000000010010000000000000100010101001100001000000111110001110000001101010001110111100111110,WOOYUNNTXDKITN-UHFFFAOYSA-N
+CN(C)[C@@H]3CC[C@H](COC1=CC=C(C=C1)CC2CCCCN2)C3,3CA03E7457786330_D330C64AE517B8E3_6035_UN,8.363649,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100011010010101000100011010100101001100011110001000110001101011101110111101111110,AKQVTAWAMBEPIP-LJJQOFDWSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NC[C@@H]3COC[C@H]3N(C)C,3199AFB758392250_0760D7D5D46DD7F0_6041_UN,8.363375,00000000000000000000000000000000000000000100000000000100010000000100000000100000101101100011010111001100010011010000100011100100110101010110001000001111010111101111110,UFZLZFNWTDCXBV-CXAGYDPISA-N
+C1(=CC=C(C=C1)OCC#N)NC(C2=CC(=C(OCCOC)C=C2)OC)C,DB617C7724E2D914_1E8F5EEA49B95D43_6041_UN,8.363336,00000000000000000000000000000000000000000100000000000000000000000000000010000000000000100000010100000000000001010101101000000111000011010010111111110111110111111111110,NOJSFNCLKHNCQW-UHFFFAOYSA-N
+CCC(F)(F)C(C)(C)COC1=CC=C(C=C1)N2CCNCC2,521C37E3577E08DD_C8DE3AD34FE47728_6035_UN,8.363168,00000000000000000000000000000000000000000010000000000000000000100010000000110001001001100001000000101000100111011111101011100011110001110110011101011101110111101111110,KVLXJYZKLUOFAT-UHFFFAOYSA-N
+N3CCC1(CC1C=CC2=C(C)[N](C(=C2)C)CC#N)CC3,7F3B2A97B565E9C4_4CB5294B0415BD3F_7019_DP,8.362445,00000000000000000000001000000000000000000100000000000000000000000110000000010001001101100001000010111000110000011000101011100000110000000110001010011111010110101111010,VCERGZQWTCNTEX-UHFFFAOYSA-N
+CC3=CC1=C(C=C(C=C1C)NCC(C2CCNCC2)(C)C)[NH]3,161DB7069F0E5281_476B303736642F4C_6041_DP,8.362121,00000000000000000000000000000000000000000000000000000100000000000110000000100000101100100001000010101100110010011001101011000100110101010110011001010101010110101111010,JGZNEJSZEDVXPJ-UHFFFAOYSA-N
+CC1=CC=C(C#N)[N]1[S](C2=CC=CC3=C2N=C(OC)C=C3)(=O)=O,1CBC4DB0B6A46FFD_038D0B361369D321_6029_UN,8.361977,00000000000000000000000000000000110000000100000000010001001111001101000001010001110100001000111011100110011000101100010011101111001000001100001111101110000011011111110,ZPVKFSSEKDRNHL-UHFFFAOYSA-N
+COC1=NC=C(C=C1)[S](=O)(=O)NC3=CC=C(OC2=C(OC)C=C(C=C2)C#N)C=C3,AD2C91D213D3B0B3_4F5E7B101D8C5C09_6026_UN,8.361826,00000000000000000000000000000000110000000100000000010001001111001101010011000000110000001000111001100010001000101100010001001111001001011100101111101111100011111111110,FLDSVTIBLPNHJJ-UHFFFAOYSA-N
+CC1=C(N=CC=C1)COCC2=CC(=C(N(C)C)C=C2)C,E60670AB5818684D_060A12A176102082_6039_UN,8.3617525,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010100100000000011010000100001100110000001010110011011001110010111101111110,ULRVCJZBZDYVRB-UHFFFAOYSA-N
+O(CC2CCC1(CCN1)CC2)C3=C(C#C[Si](C)(C)C)C=CC=C3,113F4E6A458617F9_6F0F59A2060565F8_6035_UN,8.3616085,00000000100100000100100000000010000000000000000000000000000000000010000000100000001000100011010000001000110001011100001001000011110000000110010111011111110111101111110,GREGFROUSFRSTH-UHFFFAOYSA-N
+C1(=NC(=CC=C1)C#C)NCCCN2CCC(N(C)C)CC2,46EDA01103A52B67_73FEAF40F6887FB2_6041_UN,8.361517,00000000000000000100000000000000000000100000000000000000000000000100000000110100101001100010010000101000100010010000101011100000110001010110001001011101010110101111010,JYSGUCJCUZGWGD-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCC2)C#N)NCC3(CCNCC3)C,69E52C7B36D5A892_F13384A254474F3A_6041_DP,8.361473,00000000000100000000000000000000000000000100000000000000000000100110000000000001101000100011000000101000100000011001101011000000110101010110001001010001010110101111010,JZVVDSUAIYIYCQ-UHFFFAOYSA-N
+C[C@@]2(COCC1=CC(=CC(=C1)C(F)(F)F)N)COC[C@@H]3CCCN23,804F07A0673D1C6D_F2A6EDCBC4997A8F_6039_DP,8.361146,00000000000000000000000000000000000000000010000000000000010000000010000000000000000111100101000110101100011111011001101011100010110001110110001001011001010111111111110,LMTFHMHKNLIJJG-JKSUJKDBSA-N
+COCCOC1=C(C=C(C=C1)NC2=CN=C(N(C)C)C=C2)C#N,C774B78C8DF65C34_3720DFA15A1948D3_6041_UN,8.361048,00000000000000000000000000000000000000100100000000000000000000000100000010100101000001100000010001100000000001000101101001100111000011010110011111011111110111111111110,OUINSSQUPAZFFL-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CSCC#N)NC2CNC(CC2)(C)C,72775D0D337F2600_9450F97EBE22E4D9_6041_DP,8.360937,00000000000000000000000000000000000000000100000000000010000000000010000000100001001000101011000000101000100000011001101001000000110101010110001001010101010110101111010,GCEGFADYOZCSIH-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)NC2=C(C=C(OC)C=C2)OC)CC#N,BE8B54319950934B_B47A5ED16830BCA4_6041_UN,8.36093,00000000000000000000000000000000000000000100000000000000000000000000000000000000000000000100010101000000000010010100000000000111000001010000011111100111100111111111110,ASIROIHWEMBGIY-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NCC3=C4C(=CC(=C3)F)COCO4,68C8FEAA9E6570CA_23FC4505D077C62B_6041_UN,8.36067,00000000000000000000000000001000000000000110000000000000010000000100000000000000001000110100000001101100010101000100000011010100100001110110001011000001110111110111110,HBFPXCYKCGJXPM-UHFFFAOYSA-N
+COCOC1=C(C=CC(=C1)Br)[S](=O)(=O)NC2=CC(=C(C=C2)F)[N]3C=CC=C3,4D341CA12AC4280F_AE5077D590F76B73_6026_UN,8.360547,00000000000000000000000000001000110000000010001000010001001111101101010001010000110101111100011011000010001101001101010001111111001001111100101111101011110111111111110,DTUIJMAZQFGCGZ-UHFFFAOYSA-N
+COC1=CC=C(C=C1)CC(C)(N)COC2=C3C(=CC=C2)OCCNC3,D908628429C26A36_20CF87BF433F2431_6035_UN,8.360503,00000000000000000001000000000000000000000000000000000000010000000010000000000000001010100100010101001100110001011101001011000111110110000110001111110101110111111111110,ZTBYSLNQOLLPQF-UHFFFAOYSA-N
+C1(=CC(=NC=C1)C#N)NCCC2=CC(=C(OC)C=C2C)OC,FF48FACBB2732B24_938C19051D2A4E8E_6041_UN,8.360494,00000000000000000000000000000000000000000100000000000000000000000100000010000001101000000000010000101000100010010100101001000111000001010100011111010111110111111111110,YSDZZMDQIMXPPO-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1CC2CC(=NO2)C3CC3)C=CC=C4)C5,9886E721AD5B5204_4E7B0D14EF41EAC7_6034_UN,8.360457,00000000000000000000001010000000000000000000000000000000010000100110000100110010100101000000001111001110010000011001101111101100110010000100001011011100110111101111110,JYNNDXGBWTUBTO-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NC2CC(CSC)C2)C#N,A9497107B66B5968_20C0A64A011A9147_6041_UN,8.360386,00000000000100000000000000001000000000000100000000000000000000000000000000000000100000101001010000000000100011010101000000010011100001010010001110000111110111111111110,FSGCLZLWQBCABS-UHFFFAOYSA-N
+C1(=CC2=C(N=C1)C(=CC=C2)F)N[C@H]3[C@@H](C3)C4CCOCC4,9C8052F0704F8153_89161AA035DDF79B_7022_UN,8.360203,00000000000000000000001000000000000000000010000000000000010000100100000000000001000000110011000000100100110101010000001011000100110011110110001001010011010011100111110,KDPFHLNAUHVJQG-GOEBONIOSA-N
+N(CC1=CC2=C(C=C1)COCC2)[S](C3=CC(=C(OC)C=C3)C#N)(=O)=O,183D0BC93B8F77D1_E419A0251F3DFED3_6029_UN,8.36018,00000000000000000000000000000000110000000100000000010001011111001001010001000000011000101000011001101110011001001100011000001111111010001110101111111011110111111111110,OLAGFQCIKALEDG-UHFFFAOYSA-N
+N2CCN(CC(C)(C)OC1=C(C)C=CC(=C1)CCN)CC2,28C3C71C46282F3B_0C69F4BEDC68887E_6035_DP,8.360005,00000000000000000000000000000000000000000000000000000000000000000010000000110001001011100001000100101000100010011101001011100011110110000110011111011111110101101111110,DOINXUKVGXNLDA-UHFFFAOYSA-N
+NCC3(OC1=CC=C2C(=C1CN)C=CC=C2)CCNCC3,DF670EBA5AA19E4E_89983C230BF7362C_6035_DP,8.359681,00000000000000000000000000000000000000000000000000000000000000000010000000000000001010100011000101101100110000011100001001000111110110000110001111010011110101100111110,LKJNYCKMHVKOOZ-UHFFFAOYSA-N
+NC3(COC1=CC2=C(C=C1)CNCCO2)CCCNC3,9266D07987AA593D_F1D22FCC756D85BC_6035_DP,8.359615,00000000000000000001000000000000000000000000000000000010010000000010000000000001001010100111000101101100110001011100001011000011110111000110001111010001110111110111110,COALRZLJKAQWOG-UHFFFAOYSA-N
+O(CCC1CNCC1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F,439727603192E461_230838574B4810AE_6035_UN,8.359614,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100100011000010001000101101011100001001000011110010100110000100010001110101100111110,GUACJPWPIVEETA-UHFFFAOYSA-N
+COCC(OC2=C1N=CC=CC1=C(C=C2)CN3CCOCC3)CN4CCOC(C)C4,3F53961C462F13B9_53B828CC5682ED95_6035_UN,8.359563,00000000000000000000000000000000000000000000000000000000010000000100000010010000000001100000010101101100010011010101101011100111110010000110101101111100110111111111110,YOLGVTOEQDHGJM-UHFFFAOYSA-N
+N2CC[C@@H]([C@H](OCC1=C(N=C(C)[NH]1)C)C2)C3=CC(=CC=C3)C(F)(F)F,C10D2CDA7AB8A4C6_5C97277C017128CC_6039_DP,8.35955,00000000000000000000000000000000000000100010000000000000000000100100000000000101001100100001000111101000101111011000101011000111110110100110001111010111110111101111110,IFPVPZXRNJFGOH-NVXWUHKLSA-N
+COCCCC(C#N)C1=CC=C(C=C1)NC[C@H]2N(C[C@@H](OC)C2)C3=NC=NC=C3,8DE44A3C125CC7E7_E02470FADD989351_6041_UN,8.359498,00000000000000000000000000000000000000100100000000000000000000100100000000010101101101100011010111101000000011010001101011100111110011010110001101011111110111111111110,GRKMEACMYXTTFZ-LLQWEQGGSA-N
+C1(=CC=C(O1)C(F)(F)F)N[C@H]2[C@@H](CCCC2)OC3=C(C=CC=C3)F,209F723117A81640_8EB2692A219FBE7E_7022_UN,8.358963,00000000000000000000000000000000000000000010000000000000010000000000000000000000000100010011100110000000101100111100011000000111110011110100000111010011100011110111110,XZIRAJMCSYFLCY-TZMCWYRMSA-N
+N1CCC(=CC1)C2=C[N](C3=C2N=CC=C3)CC4(CN)COC4,7ACDF23562B621D0_AD98289AC335269D_6034_DP,8.35854,00000000100100000000000000000000000000000000000000100000010000100110000000011001101111100011000011111100110001011000001011100100110100000110001001011001010111100111110,SYMQPKNHKOZJPC-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC3=C2C=NC=CC2=C(N(C)C)C=C3,65FD822A9A8959FC_E8552B005F81A2FC_6041_UN,8.358505,00000000000000000000000010000000000000100000000001000000100000010100001100100101100001100000011101100110010000000100000111101111001001010100011111101111100011111111110,KMQUQDFATQRXCF-UHFFFAOYSA-N
+NC[C@H]1[C@H](C2(CC1)CCOCC2)OC4=CC=C([C@@H]3[C@H](C)CCNC3)C=C4,BEF808FB110A7949_1AC220DB29566FA3_6035_UN,8.358381,00000000000000000000000000000000000000000000000000000000010000100010000000000000001010100011000011101000110001011101101011000011110110000110001101010011110101111111110,GMFPAOXFDCBRPP-GKBFQHABSA-N
+C1(=CC(=CC=C1)C2CCCC(=O)C2)NC3=CC(=CC(=C3)F)N(C)C,47D60F053152BDB1_CC8ECEACE5CB0B5D_6041_UN,8.358318,00000000000000000000000000000000000000000010000000000000000000100000000000100000100001110000010000000000000100000000001000100101110011110000001101011101101010101111110,IWERAYBTSMJUNX-UHFFFAOYSA-N
+N2CCC(CCC=CC1=C(C=C(N(C)C)C=C1)C(F)(F)F)CC2,593C1C5A4278D1AA_DC3AC6C8E3FE39F9_7019_DP,8.357978,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001100001010000111000101100011000001001100000110001110110001011011111010110101111010,DTKYOJWMXUDNII-UHFFFAOYSA-N
+CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2NCC3(SCC)CC3,8C5995B7774B7E0C_F5DD7310301D7717_6041_UN,8.357834,00000000000000000000001000000000000000000000000000000000000000001110000000100000111000001011000000101100010010001110000001000111110001010110011101010101110111101111110,MRVWPLGJDPIBNC-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C=C2C3CC3)CCOCCNCCN,6F9B0F889459A114_4BB6390987538731_6034_UN,8.357817,00000000000000000000001000000000000000000000001000000010000000100100000000010001001111110001000110001100110101010000001001100110110110100110001000011001010111100111110,NSJPXMSJCJKTQN-UHFFFAOYSA-N
+CC2=C(C=C1C=NC=CC1=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,01185C201F4A2770_111072418E76161F_6041_UN,8.35766,00000000000000000000000001000000000000100010000000000000000000100100000000110101101101110011010010101100011110010000000011100100110001110110011011001111010110101111010,XWKQXPHIDMMVJU-ROUUACIJSA-N
+C1(=CC2=C(N=C1)OCC2)NC(CCN(CCOC)C)C3=CC=CC=C3,8D21A4B2A3B36E05_614A25DF4241A8B1_6041_UN,8.357594,00000000000000000000000000000000000000000000000000000000010000000100000000000001100101100011110110101100110001110101111011100110110011010110001011011101010111111111110,HUWYQTOSWXKRPQ-UHFFFAOYSA-N
+C1N(CC(C1)C2=C3C(=CC=C2)C=CC=C3)[S](C4=C(OC)C=CC(=C4)C#N)(=O)=O,DD2E46D609C697CC_425914E48EAA2983_6029_UN,8.357346,00000000000000000000000000000000110000000100000000010001001111101001000001010000010100101100011011001110011000011100011001101111011000001110001111111010110011111111110,ZNNMQFHVYOXVJK-UHFFFAOYSA-N
+O(C(=O)C1=CC2=C(C=C1)NCCC2)CC3=C(SC)C=CC=C3,97F7A649CC413ACA_EB9EACF501E7AA23_6031_UN,8.356991,00000000000000000000000000000000000000000000000000000000000100001000000000000000011000001011010000101100110011010000001001010110100000010110000011010011011111111111110,PMYGHUHLJCZKQN-UHFFFAOYSA-N
+CC(C)(C)[C@H]1C[C@H](CNC1)C=CC3=CC2=C(C=C(F)C=C2)N=C3Cl,854D88C178458FE1_7AFF5E6B95E8839D_7019_UN,8.356224,00000000000000000000000000000000000000000010000000000000000000000110000000100000001000110010000000111101010100001000100011000100100000100110011011000111010010101111010,LWWKAJPYDSMFRZ-CJNGLKHVSA-N
+C1(=CN=C(C=C1)SC2CCOCC2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,B7AC5B7078B00185_15E4441CF5BDA680_6041_UN,8.355458,00000000000000000000000000000000000000000010000100000000010100101100000000010001110101111011010010101000100111010001101011100100110011110110001011011011010011101111110,LRTBWWZLBJLTEH-CTNGQTDRSA-N
+COC1=C(C(=C(C=C1)NC[C@@H]2CCN(C)[C@H]2C3=CN=CC=C3)Cl)F,38AB25D63BBA7136_EF5975C64AB26A57_7022_UN,8.355022,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011010010101001000110010101101011100111110001110110001111011111110111101111110,ZEOLZMZGSFAAPM-UGSOOPFHSA-N
+CC(OCCCN1CCN(C)CC1)C2=CC3=C(C=C2)OCC3,CA3274B65E112462_7BC6D4BADB0041AB_6039_UN,8.354986,00000000000000000000000000000000000000000000000000000000010000000000000000010001000101100000010011101100010011010101101011100010110010000110001011011100110101111111110,SEQOFEYTTSMVBI-UHFFFAOYSA-N
+N(C1=C(C=C(C=C1)[N](=O)=O)C#N)C(C2=C(CCC)[NH]C=C2)=O,7EF6B6CCA4D7D115_3FE3AC411E7DDBEB_6038_UN,8.354869,00000000000000000000000010000000000000000100000001000100100000010100001100000000100100000011101011000010100000110011011101101100001101011100001010111011001110111111110,YXULXTAWULPHSU-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC(=CC=C1)C2=CC=CS2)N4CC3=C(C=C(OC)C=C3)CC45CC5,ABDAF5C09FFB4FB8_F7543100C375AE0C_6026_UN,8.354847,00000000000000000000001000000000110010000000000000010001001111101011000001010000010100001000011010101110011000011100010011101111111000001100000111111000110011111111110,JXQFEXHLHGXAHG-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NCC2=CC=C(C[S](N(C)C)(=O)=O)C=C2)C=CC=C3,027E09A1B0A4AB92_664A85884AB39E0A_6041_UN,8.354832,00000000000000000000000000000000110000000000000000010001001011000001000001100000011000101000011001001110011000011100110000101111001011011010011101101101110111111111110,YSIVVQPDNRLPKI-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC(=O)C2=CC3=C(C=C2)[NH]C=C3,D9DD4650383E5D33_F1CEAA662C44961D_6038_UN,8.354674,00000000000000000000000000000000000000000000000000000000000000000100000000100000000101100000010110000100010010010000101001110111110011000100001101011111101011111111110,DDOSYAOKPDOJAH-HZPDHXFCSA-N
+N1CCC(CC1)N4CC(OCC2COC(O2)C3=CC=CC=C3)C4,22E14104E9E49ADC_B61FB6836CFFAB65_6039_DP,8.353949,00000000100100000000000000000000000000000000000000000000010000100000000010010000101101100101000110101000100001010000001011110011110011000110001101111001110111110111110,AYVZSZHXHGMGJM-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)NC2=CC=C(C[S](N(C)C)(=O)=O)C=C2)OC,6DB9208D7AFB26AA_E6340532287DFEF7_6041_UN,8.353787,00000000000000000000000000000000110000000000000000010001001011000001000011100000010000101000011001000010001000011100110000101111001011011000111111101111110111111111110,FBAHLOGFACPTCW-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=CC(=CC(=C2)[S](=O)(=O)C)C,19573CB995773E6C_FAF7222F2616DAED_7022_UN,8.353743,00000000000000000000000000000000000000000000000000010001001111001001000001000000010000101001010100000010000000001101000000001111001001011000010111101111110111111111110,KKWTYUJXWUUJIS-UHFFFAOYSA-N
+CCOC4CC(OC2=C1N=CC=CC1=C(C=C2)CN3CCOCC3)(CN)C4,668265BC8376D85D_6321356BDAA33597_6035_UN,8.353358,00000000000100000000000000000000000000000000000000000000010000000110000000010000001011100110000100101100010011011110001011100111110010000110001101111001110111111111110,AOGXNOUPBSTYTD-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)N[S](C2=CC(=C(C=C2)CBr)C)(=O)=O)C,6E73813772ECAD2E_62D63D988E0FB8FC_6029_UN,8.353297,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000001000011000000010001000001100110000001111001001111000010111101111110111111111110,QUZABDZISLPWJF-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C=C(S2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3,A9ED54AC5B7DBE14_D725BF7EB8C9F21F_7022_UN,8.353115,00000000000000000000000000000000110010000000000100010001001111001001000001100000011100101000011010001110011000001000010000101100001001011100011011001111010110111111110,RNBMBEXYPAIJRF-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NC2C(CN(CC)CC2)(F)F,6F88B5CD4032B5CB_D8CBFBB422E1BAB7_7022_UN,8.352935,00000000000000000000000000001000000000000010000000000000000000000010000000110000100001110011010100101000100111011111101001110011110001110110011111011111110111111111110,HYXLDGZRPYNLHD-UHFFFAOYSA-N
+CCOC1=C(C=CC(=C1)CN[S](C2=CC=CC(=C2C#N)F)(=O)=O)OC,3E3A6F4FD51F1377_ED8B530228693635_6028_UN,8.352815,00000000000000000000000000000000110000000110000000010001001111001001010011000000011000011000011000001010001101001110010000001111001000101010101111101111110111111111110,XRVJWRDMAKXAES-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)[S](=O)(=O)NC2=C(CN(C)C)C=CC=C2)OC,2EF2F45EBDA16F2A_097996172D532CA0_6026_UN,8.352572,00000000000000000000000000000000110000000000000000010001001111001001010011100000110001101010011000001010001000001101010000101111001001011000111111101111110111111111110,FLPTUPXOJTWTAS-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=CC(=C(C=C1)NC2=C(OC)C=CC=C2C#N)F,A8BF243824A5EA40_D7B6FA671B5606EA_6041_UN,8.351646,00000000000000000000000000000000000000011110000010010001001011000001000001000000100000011000010100000010001101001100100000001111001001111000101111101111110111111111110,NXUAUKUPYUYUMF-UHFFFAOYSA-N
+N1C4(CC(C1)CNC(=O)C2=C[NH]C=C2C3=C(C=CC=C3)F)CCC4,7C0D41ECAEE879CE_3482D0FBC05D18FF_6038_DP,8.351101,00000000000100000000000000000000000000000010000000000100000000100110000000000000101100010011100011001000110100111000011011000100110100100110001010010011011110100111110,HWOAADJGKCXUKG-UHFFFAOYSA-N
+COC3(CC(COC1=C(C=CC=C1)C2=NC=CS2)(CN)C3)OC,C3616A96234D2654_39FCF60C1153DD7F_6035_DP,8.351025,00000000000100000000000000000000000010000000000100000000000000100110000000000000011110001010010011001000000001001100100011010111100010000110001110100111110111111111110,ORPSSVZPJKWTHT-UHFFFAOYSA-N
+NOCC1=NC(=CC=C1)NCCC2=CC(=C(C=C2)N3CCOCC3)F,AE099F3EBD483BF8_FC105A8D3D6B201F_6041_UN,8.350892,00000000000000000000000010000000000000100010000000000000010000100100010100010100101011110001001100101010100101010000001011101110110111110110001011011011010111110111110,NFNDOMMMOZCLGS-UHFFFAOYSA-N
+N2CCC(OCC1=CC=CC(=C1)SCCCC)(C2)C(F)(F)F,6EF2F7F4405135AF_11B9D5EA958FA7F8_6039_DP,8.350733,00000000000000000000000000000000000000000010000000000000000100001010000000000000011100101011000111001000101101011011101001000011110010100110000100010001110101101111110,PVDKXDNWKPESGB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OCC#N)NCC(C2=CC(=C(OC)C=C2)OC)C,1A39D5BA7EE3FDCA_5FE26897D4EFCB53_6041_UN,8.350698,00000000000000000000000000000000000000000100000000000000000000000000000010000000001000000000010100001000000001010101000000000111000001010010011111100111110111111111110,KQMORQIWIMJRNB-UHFFFAOYSA-N
+IC2=CN(C1=C(CNCC1)C2=O)CC3(CCNCC3)NC4=CC=CC=C4,EA96228FF7C08584_E08527A38EE8B8CC_6034_UN,8.350547,00000000000000000000000000010000000000000000000000000100000000000110000000010001101001110011000001101100110100011100001011100101110101110110001111011011111110100111110,RKCXSDWWNLNNIF-UHFFFAOYSA-N
+CC1=C(N=CC(=C1)C#N)NCC(N2CCCC(C)C2)(C)C,F8FEA20275DE8170_16FA0BA7DE93DF75_6041_UN,8.350418,00000000000000000000000000000000000000100100000000000000000000000110000000110101101001100001000000101000000010011001101011100000110001010110011011011111010110101111010,KIJRXZVFPIPWMO-UHFFFAOYSA-N
+C1(=CC(=NC=C1)N2CCOCC2)NC3=C(C=C(C=C3)F)[N](=O)=O,02973EBAD6647F25_2D91871EDAEE92D2_6041_UN,8.350143,00000000000000000000000010000000000000100010000001000000110000110100001100010101100001110000001101101010000101010000001111101100111011110110001011111011010011110111110,IUNMVRXWAWYJPF-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NC3=CC=C([S](N(C)C)(=O)=O)C=C3,6515C0A1AA8CFBC3_36E0F15F8431823A_6041_UN,8.349958,00000000000000000000000000000000110000000100000000010001001111001101000001100001010000101000011000100110011000001000010001101100001001011100001001001101000010111111110,ONQSRLBBGAKHMP-UHFFFAOYSA-N
+CC2=C1N=CC=CC1=CC(=C2)NCCC3=CC(=C(OC)C=C3)[N](=O)=O,C40792A934230F79_F1E7C6B51B0F6DB3_6041_UN,8.34963,00000000000000000000000010000000000000000000000001000000100000010100001100000000001000000100011100101110110000010100001101101111001001010100001111111111110111111111110,HFMOUMGKULLEDH-UHFFFAOYSA-N
+O(CC1=CC(=C(C=C1)N2CCCCC2)F)CC3=CC(=C(OC)C=C3)[N](=O)=O,A4776D11A31D3C87_9A9A004F924CA6D3_6039_UN,8.349421,00000000000000000000000010000000000000000010000001000000100000110000001100010000000001110100011100101010000101010100001101101111111001110110101111111010110111111111110,IRLSMEBKCSMEJS-UHFFFAOYSA-N
+CN(C)C1=CC4=C(C=C1)C=C(NC(=O)C2=CC3=C(C=C2)C(=O)CCC3)C=C4,BD118612D575EA9B_B3BE786EE2BD026E_6038_UN,8.349054,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001100000110000000100010000100000011000100101100011011000001111011101101010111111110,HLEHBKKATKCGEN-UHFFFAOYSA-N
+CC(C)(C)C1(CNCC1)OC2=C(C=C(C3=C2N=C(C)C=C3)Cl)Cl,9B3AF8D87977FE9D_AD3CC1D1B2A9A52A_6035_UN,8.348761,00000000000000000000000000000000000000000000000000000000000000000110000000100000001100110011000111101101110110011100101011000111010010100110011111010111110011101111110,JTJULVIINKUDOH-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)N2CCOCC2)CC3CNC(CO3)(C)C,3DD09E7BC82BEA57_BA48977D80C0A629_6039_DP,8.348491,00000000000000000000000000000000000000000000000000000000010000100010000010110000001001100011000101101000100001011001101011100010110011010110001001111101110111111111110,DJOSALWOQBGBBJ-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)C)[C@@H]2CCCC[C@H]2OCC3OCCN(CC)C3,FD6BCCB38B3BDBFD_3888F1A8645A1EE2_6039_UN,8.348357,00000000000000000000000000000000000000000000000000000000010000100000000010010000000001100000000101101000000011010010101011100011110010000110010111011110110101111111110,LPCXJFQACAKHTP-IZOREMLJSA-N
+COC1(COC1)C2=CC=C(C=C2)NC3=CC=C(C=C3)CCC#N,3A9B30D6BED3AE39_1EF331FF049C0BC1_6041_UN,8.348086,00000000100100000000000000000000000000000100000000000000010000100010000010000000000000100000010000000000000001011000101000000111000011010110001101010001110111111111110,PVQBPFDQHLNPKH-UHFFFAOYSA-N
+CC1=C(C=NC(=C1)NC2=C(CN(C)C)C=CC=C2)[N](=O)=O,477839AED6E8FF4A_326382A80F091D61_6041_UN,8.347808,00000000000000000000000010000000000000100000000001000000100000010100001100100101100001100010011001101010000000000001000101101100001001010100011011001111010110111111110,SVLNVSVZQVKSBC-UHFFFAOYSA-N
+C1(=NC(=CC=C1)C#N)NC2=CC=C(CO[Si](C)(C)C)C=C2,36875DADCE85AAB5_2595CD07CF644588_6041_UN,8.347673,00000000000000000000100000000010000000100100000000000000000000000100000000100101000000100000010000100010000001001000100001001110000001010100011001001101010111101111110,IKGBAASFJXUMPD-UHFFFAOYSA-N
+COCC3(COC1=CC=C(C=C1)C[C@@H]2COCCN2)CC=CC3,B1596748D036FBAD_177E8CB3B11B8D0D_6035_UN,8.347648,00000000000000000000000000000000000000000000000000000000010000000010000000000000001000100101010110111000100011011101001011000011110010000110000101110001110111111111110,QYEDWWBTVBFUBE-QGZVFWFLSA-N
+COC1(CCOCC1OC2=CC4=C(C=C2)C(COCC3=CC=CC=C3)NCC4)OC,D8C962CB4F195901_75469615163C43D6_6035_UN,8.34756,00000000000000000000000000000000000000000000000000000000010000000000000010000000001000100101010100101100110011011100101011010111110010000110100111110111110111111111110,OWAVRUIZCPQDQG-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1OC=CC1=CC=C2)N4C3=C(C=C(N(C)C)C=C3)CCC4,8E1213BAD94D5E79_75BA67BC9900F4A5_6026_UN,8.347503,00000000000000000000000000000000110000000000000000010001011111001001000001110000010101101100011011101110011000011000011011101100101001011100001011111100110010111111110,IPHQEPJFSPREBO-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)SC#N)N[S](C2=CC=C(CSC)C=C2)(=O)=O,BDA3A32A982FB4EE_AEFB7A8530A28EAE_6029_UN,8.347376,00000000000000000000000000000000110000000100000100010001001111001001010001000000010000101000011000000010001000001001010000001100001001011000001011001111010110111111110,MVEWEDRKAUOAMO-UHFFFAOYSA-N
+COC1(CCNCC1OCC2=C(C)C=CC(=C2)F)OC,A840681AFDB406D5_959C73AFE7A4EC2D_6039_DP,8.347221,00000000000000000000000000000000000000000010000000000000000000000000000010000000001000110001010101101000100111011000101001010011110010100110010111110111110101111111110,YMKQVIQGOYLOMT-UHFFFAOYSA-N
+N4C[C@@H]3CN(CC1=NN=C(C=C1)NC2=CC(=CC(=C2)F)N(C)C)C[C@@H]3C4,D5C92ABFD1B09901_64BC87D4A3E85986_6041_DP,8.347169,00000000000000000000000000000000000000100010000000001000000000000100000000110101101101110011011010101100010100010000000011101100110101110110001001001101010110101111010,CZYIMQBZIDXBJW-OKILXGFUSA-N
+C1(=CC2=C(N=C1)[NH]C=C2C#N)NCCC3=CC=C([Si](C)(C)C)C=C3,FB5DCAB7633EF54C_1B743525DFFEB170_6041_UN,8.347081,00000000000000000000100000000010000000100100000000000000000000000100000000100101101100100000010010101100110000011000001011000100000101010100011001011101010110101111010,MGITUCMFIGLJPK-UHFFFAOYSA-N
+C[N]1C=NC(=C1OC2=CC=C(C=C2)NCC4=CC3=C(C=C(OC)C=C3)C=C4)[N](=O)=O,3BC25B805E82ACB2_78857B722B7FAFFC_6041_UN,8.347079,00000000000000000000000010000000000000100000000001000000100000010100001100010101101101000100111111001110010000100100010111101111001001010100101111101111110111111111110,YXSNJPXQKJXVGW-UHFFFAOYSA-N
+OC1=C(C=C(C=C1)N[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O)C#N,6706AA3124DF27EE_C8D2858735D3C3B9_6029_DP,8.346976,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001000011001000010001000001100010000001111001101011001101111101011100011111111110,VXEAMVFTECWTJY-UHFFFAOYSA-N
+C(CCC1(CCOCC1)C#N)=CC3=CC2=C(F)C=CC=C2[NH]3,8E7FB5EC5EB1943A_DD916D91FFE4C45A_7019_UN,8.346615,00000000000000000000000000000000000000000110000000000000010000000110000000000000000100110001000010110100010101001000001011000100110010100110001001010001010111000111110,IPKBAPBVTLVPST-UHFFFAOYSA-N
+CC(C)C2=C1N=C(C=C(C1=CC=C2)C)NC3CCCC4=C3N=C(S4)C5=CC=C(C=C5)F,4C4482DE0FE36E4C_A79276C5AEC010DC_6041_UN,8.346037,00000000000000000000000000000000000010100010000100000000000000100100000000100101010100011011000010100100110100010000001011000100100001110100011011010101000010101111010,VJKQKKHIMWSISZ-UHFFFAOYSA-N
+COC1(CC4(C1)CNCC(OC3=CC=C([N]2C(=C(C)C(=C2N)C#N)C)C=C3)C4)OC,F56CD1A816498177_6DFBFF8B47914694_6035_UN,8.345888,00000000000100000000000000000000000000100100000000000000000000100110000000010100101111100010010110101000010000001100100011110111100111010110011111101111110011111111110,NDXXQARTMDTQLU-UHFFFAOYSA-N
+NC[C@@]12[C@@H](CNC1)CCC2OC3=C(C=CC=C3)C4=CCCNC4,B0AF745AAEDF0CA5_C927F208B0C3C7EA_6035_UN,8.345608,00000000000000000000000000000000000000000000000000100100000000100010000000001000101110100011000011111100110000011100001011000011110110000110001111010011110101100111110,GEMHKHGTRLBUFI-JNBCYNBSSA-N
+COC1=CC=C(C=C1)C2N(CCCC2)[S](=O)(=O)C4=C3C=CN=CC3=CC=C4,A03F7050FDAD3B80_AFDE424928F7B9C9_7015_UN,8.345472,00000000000000000000000000000000110000000000000000010001001111101101000001010000010000001000011000101110011000011100011011101111111000001100001101111010110011111111110,SJABRNUOCGYNBU-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NCC3=CC=C([S](C)(=O)=O)C=C3,CD139FC9F83413EF_B065ABA3D751682A_6041_UN,8.345406,00000000000000000000000000000000000000000100000000010001001111001101000001000000011000001000010000101110010000001000000001001100001001011100001001001001010110111111110,HBWBKKWGSDWDSE-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)SC=C2[S](=O)(=O)N4CCCC3=C(C=C(N(C)C)C=C3)C4,82A0C7023B9D4A39_58F03C7FCF4F631A_6026_UN,8.345166,00000000000000000001000000000000110010000000000000010001001111001001000001110000010101111000011010001111011100011000011011101100111001111110001011011100010010111111110,MKWWQMBSLRPFJF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)SC=C2[S](=O)(=O)N4CCCC3=C(C=C(N(C)C)C=C3)C4,7BA59236EE79DC16_0A7F5212DA3E63CA_6026_UN,8.345142,00000000000000000001000000000000110010000010000000010001001111001001000001110000010101111000011010001110011100011000011011101100111001111110001011011100010010111111110,YYXZNJNHHNMONI-UHFFFAOYSA-N
+N3CCC(COCC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)CC3,6FE85FCD99B20649_3277CFE2D93D3B95_6039_DP,8.34514,00000000000000000000000000000000000000000100000000000000000000100000000000000000001000100001000000101000100001010000001001000110110000000110001011010011010101100111110,XLSGKMBTWHZOND-UHFFFAOYSA-N
+N(C1=CC(=C(C=C1)F)N2CCOCC2)[S](C4=CC3=CC=NC(=C3C=C4)Cl)(=O)=O,382698D6F27D13FF_C9C0C111F0B0EAA4_6029_UN,8.344522,00000000000000000000000000000000110000000010000000010001011111101101010001010000110001111000001100101111011101011000011011101100111011111110001011111011010011110111110,SOEGZFIEOLHLGM-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(COC)C=C(C=C2)F)C#N,5E766DCAC65AA525_FF660F4817E0C188_6026_UN,8.3445015,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000111010011001000010001101001101010000001111001001111000101111101111110111111111110,ZPEZNWUSKANXAU-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=C(COC)C=C(C=C2)Cl)C#N,0160BFC92515B64C_F834662D27423F8A_6026_UN,8.344501,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000111010011001000011001101001101010000001111001001111000101111101111110111111111110,GNAJHRDNVMVHAS-UHFFFAOYSA-N
+N4CCN(CC1=NN=C(C=C1)C2=CC=CC3=C(N(C)C)C=CC=C23)CC4,7855FA390F2B75E6_6F96C7FE6E62690B_6006_DP,8.343796,00000000000000000000000000000000000000000000000000001000000000100100000000110001101001100001011000101100110000010000001011101100110001010110001001011101010110101111010,DGFALHVVPGHHQM-UHFFFAOYSA-N
+COC(=O)C1=C(C(=CC(=C1)[N](=O)=O)NC3=C2CCNC2=CC=C3)C,A061E595F258E71E_E0A6C5FDD0868686_6041_DP,8.343641,00000000000000000000000010000000000000000000000001000100100000010000001100000000101100000011011010001110110000010000001101111110001101011100101011111111011011111111110,LBOZJOSCOZMDET-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=C2N=C(C=CC2=CC=C3)Br,F794EB74E849DA7A_26C7DF33E90A1E29_7022_UN,8.3436,00000000000000000000000010000000000000000000001001000000100000010100001100000001100000010001001100100110010101000110000101101111001001110100001111101011110111111111110,CZXCIIYLKSIFHB-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)[N](=O)=O)NC3=C2N=C(C=CC2=CC=C3)Cl,9EF2DDBAE241FDEF_514BE6BBDDCB7612_7022_UN,8.34355,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000010001001100100111010101000110000101101111001001110100001111101011110111111111110,LFAJXKMPPDPZJU-UHFFFAOYSA-N
+CC1=NC(=CC(=C1)NCCCN2CCC(N(C)C)CC2)C,DCC85740D2022878_02CF377FACF5DE68_6041_UN,8.34342,00000000000000000000000000000000000000000000000000000000000000000100000000110000101001100010010000101000100010010000101011100000110001010110011001011101010110101111010,VRQHQWOOFPIBJL-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NCC2=C([S](N(C)C)(=O)=O)C=CC=C2)N=CC=C3,97F09B60A862D4F8_E26F9FAA4E1CF039_6041_UN,8.343168,00000000000000000000000000000000110000000000000000010001001111001101000001100001011000101000011001101110011000001100010001101111001001011100011111101111110111111111110,JHDRDQHPTXQEHG-UHFFFAOYSA-N
+COCC2(COCC(OC)C1=CC=C(C=C1)F)CCNC2,AB4FA5A24256517B_FAD16A62418D18E9_6039_DP,8.342932,00000000000000000000000000000000000000000010000000000000000000000010000010000000001100110111010011001000100111011001101001000010110010100110000000110101110101111111110,DWRANXJQEGJGHA-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NC(C)(C#N)C3CC3,AC56F450429A8445_FA6FD15B59736B55_6041_UN,8.342225,00000000000000000000001000000000000000000100000000000000000000000110000000000001000000000011000000100100010000001000100001000100000001010100001001010001000010101111010,MOQSMZFESCWNLG-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC(F)(F)F)NCC2=C(N(C)C)C=CC=N2,2328B4C6D4431B88_7521E4D0D783F942_7022_UN,8.342075,00000000000000000000000000000000000000000010000000000000000000000100000000100001101001100000010001101000001110011100000001100111000001110100001111001111110111101111110,PFKRAUBZFXRLIS-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NCCC2=C(N(C)C)N=CC=C2)CCl,3A750FAD02353631_8AC2C2F0DD7C5C36_6026_UN,8.341919,00000000000000000000000000000000110000100000000000010001001111001101010001100100011001101001011000101011101010011100011001101111001001111110011111111111110111111111110,BLMFAQYUPKHXEK-UHFFFAOYSA-N
+C[N]2C1=C(C=CC=C1)C3=C2C=CC(=C3)[S](=O)(=O)N4CCCC4C5=C(C=CC(=C5)OC)OC,0B9ABE99976F088D_4A1C420091BF6567_6026_UN,8.3419,00000000000000000000000000000000110000000000000000010001001111101101000001010000010101001000011011001110011000011100011011101111011000001100111111111110110011111111110,LNPXBWJWBWFQHG-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC2=C(C=C(C)C=C2)[S](=O)(=O)C)CC#N,CD45E3B140FD463A_0FC5AFA92170AF09_6041_UN,8.341759,00000000000000000000000000000000000000000100000000010001001111001001000001000000010000001001010001000010000010011100000000001111001001011000011111101111100111111111110,AIZDOJQPWCQISZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)N2CC#C)NCC3=C(N(C)C)C=CC=N3,5C0191F7EBD992AF_9FF6FF7D86AD32DE_6041_UN,8.341742,00000000000000000100000000000000000000000000000000000000010000000100000010110001101001100000110100101100010011110100010011100101010011010110001111001111111111111111110,ACEVIARXDADXCV-UHFFFAOYSA-N
+COCC2(COCC1=CC=C(OC(F)F)C=C1)CCNC2,926A4624540D49EF_EE9E5AEF55B07291_6039_DP,8.341214,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100100111010011001000101111011101001001000011110000100110000100110001110101111111110,PSCOGPFEYGITIS-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)NCCC3=CC(=C(C(=C3)OC)C)OC,811D19DC878648D8_97970D45E3686F88_6041_UN,8.341012,00000000000000000000000000000000000000000000000000000000000000100000000000010000101101000100110010011000100010110100011001100111000001011100111111111111111111111111110,QBPLHUZEPWDAIQ-UHFFFAOYSA-N
+CC1=C(C4=C(N1CCN2CCCC3NCCC23)C=CC=C4Br)C,1A95F387759E732C_82D8221DB4A5C29B_6034_UN,8.34079,00000000000000000000000000000000000000000000001000000000000000000100000000010001101101110011000010101100110110010000101011100100110000100110001011011111010110101111010,ICWBKOMGPWVILX-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC4=CC3=C(CCCN3C)C=C4)Br,E798B75CBFDBA0EB_3C21C8A9194F9F4A_6026_UN,8.340461,00000000000000000000000000000000110000000010001000010001001111001001010001010000110001111000011000101110011110011101111001101111101001111100001111111011110011111111110,YNAVZASAQUHIHE-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C4C(COC3=C2C=C(C=CC2=CC=C3)C#N)CCCN4C,BC52CE1DF443E0F1_95B72100DC771799_6035_UN,8.340384,00000000000000000000000000000000000000000100000000000000000000100000000000010000000001100000010001101100010011010101101001100111110000000110001101011110110111111111110,MSSATTJLGKQUCE-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)NC3=C2C=CC=C(C2=CC=C3)OC4=CC=C(C=C4)[N](=O)=O)SC,F111038DB0FA0F45_B35A6CEE6262A34F_6041_UN,8.340366,00000000000000000000000010000000000000000000000101000000100100011100001100000001010000001000011101100110010000000100000101101111001001010100101111101111100011111111110,RCEKPMQRLZIUJE-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)N[C@H](COC)C2=NC=CC=C2)C3(CC3)C#N,6B99AF4EA2BCAF98_F8E282BAD3C505B8_6041_UN,8.340258,00000000000000000000001000000000000000000110000000000000000000100110000000000001000000110000010101100000100101011001000001000110000001110100001001010001010111101111110,XOIAALXAUMSBMM-QGZVFWFLSA-N
+O(CC1(CC=CCO1)C(F)(F)F)CC3=CN=C(OCC2=C(F)C=CC=C2)C=C3,1BC1FCF52A79292E_3531FA62B58676E7_6039_UN,8.340237,00000000000000000000000000000000000000000010000000000000010000000110000010000000000000110000100001110000001101101100010011000111110010100110000111100010110111010111110,FVZWMELARDJILN-UHFFFAOYSA-N
+CCC(C)N=C1N(C(=CS1)C2=CC=C(C=C2)Cl)C[C@@]34[C@@H](C3)CCCN4,8158540FE6B27FC8_90830760AFBB3923_6034_UN,8.340081,00000000000000000001001000000000000010000000000100000000000000100110000000010111011101011011000010101001111100011011001111100100110001110110001011011111010110101111010,LLSWIYQMRMDCRT-ANGYQSCVSA-N
+CC1=CC2=C(C=C1)C(=CN2C[C@H]3NCC4(C3)CC4)C5=CCNCC5,F3666D629BD98DD2_4EAA0AF455014552_6034_UN,8.340012,00000000000000000000001000000000000000000000000000100000000000100110000000011001001101100011000010111100110000011000001011100100110100000110001001011001010110101111010,DZVDJCCCUGVCGR-KRWDZBQOSA-N
+NCC1(CCC(F)(F)CC1)OCCOC2=CC(=C(C=C2)N)CCOC,1770CF1B3B404378_6DD06B4165226DB2_6035_UN,8.340007,00000000000000000000000000000000000000000010000000000000000000000010000010000000001010110011010100001000000101001101101000000011110111110010001111110011110111111111110,WLYSUKHWEXIVGS-UHFFFAOYSA-N
+CO[C@@H]1C[C@H](CNC1)OC2=CC(=C(C=C2)C(F)(F)F)CN,69DC2C902A3FB26A_977F9F4845742C3E_6035_UN,8.339711,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010100110010100101000001100001100100001000011100110100110001111000011110101111111110,ROKQZVWDKYGONV-VXGBXAGGSA-N
+CNCCCCOC2=C1C=CC=NC1=C(C=C2)[N](=O)=O,05D7001294DD0046_E0B02F2C4BF24A09_6035_DP,8.339681,00000000000000000000000010000000000000000000000001000000100000010100001100000001001000100011011001101110110011010101101101101111011011010110001101111001110111111111110,SPFXIEOLZGLCRP-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)C#N)NCC3=CC=C(S3)[S](=O)(=O)N4CCOCC4,0CE2B9D092401A8D_C34895D1D7FB4EA4_6041_UN,8.339516,00000000000000000000000000000000110010000100000000010001011111001101000001010000111100101000001110101110011001011000011011101100111011011110001001111001010111110111110,VOLRVDVPQZZNPF-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)[S](=O)(=O)NC2=CC=C(C=C2)C3=C(ON=C3COC)C)Cl,8AE637A4BFE3FD6C_D3F3850E2B2F19A0_6005_UN,8.339307,00000000000000000000000000000000110000000000000000010001011111101101010101000000010110111100011111000011001111011001010011001110001101111100101011101111110111111111110,UIJXFOUFESSBPK-UHFFFAOYSA-N
+CN(C)CC(OC3=CC1=C([N](C)C2=C1CCCC2)C=C3)CN4CCNCC4,3CCFCB80C2A29F86_2BF3D2EF6FB4AF15_6035_UN,8.339276,00000000000000000000000000000000000000000000000000000000000000000100000000110001101101100001010110101100110010010101101011100111110010000110011111011101110111101111110,MPBIMKPKUJDSAM-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(OC)CCOCC2)C=CC=C3)C4=CCNCC4,E77ADEE877DD1BF0_14F85A3AA04DE90F_6034_UN,8.339203,00000000000000000000000000000000000000000000000000100000010000100110000000011000001101100101010110111100110011011000101011100111110010000110001111011111110111111111110,OWFLUTSDYROAIK-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1)F)CC2=CC=CC(=C2)N(C)C,7306CEBC3CC27BBE_3C50C02DDBB82680_6039_UN,8.339113,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010000000000000101000000001000100110010011110010000011011110010111101111110,QKYBFOPXLGAEPD-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C(=CC(=O)O2)CCl)C4=C3CCNCC3=C(C=C4)[N](=O)=O,6B572D8ED17D6CCF_7CBE38975D69F9DE_6003_DP,8.339003,00000000000000000000000010000000000000000000000001000000110000010000001100000000101000100101001000101111110000010100001111111111111001111110101111111001111111110111110,YBTWSEPRUMVXJF-UHFFFAOYSA-N
+C1(=CC(=CC=C1)[S](=O)CCCC#N)NC2=CC(=CC=C2)CN3CCOCC3,1B80F7AAF5AE6C64_DC10D368D8B5C821_6041_UN,8.338899,00000000000000000000000000000000000000000100000000010000010111001001000001010000010001101001000100101010000001010000001011101100110011010110001001011001010111110111110,UGSVZPGGQDIBJF-UHFFFAOYSA-N
+CCOC1=C(C=CC(=C1)F)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)Cl,6D524CFF996ACEAB_0859626BEB63C2E4_7022_UN,8.338796,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010110001001100111010111101001100111000001110110001111011111110111101111110,SQQFOGXPUIOYMY-MJGOQNOKSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3=CC=C(SCCC)C=C3)C4=CCNCC4,40BDA535883929B3_53123D83992BE115_6034_UN,8.338389,00000000000000000000000000000000000000000000000000100000000100101100000000011000011101101001000010111100110000010011001011100100110000000110001001011101010110101111010,KNMJYCYMOUUTDG-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CC#N)NC3=C2C=NC=CC2=C([S](C)(=O)=O)C=C3,53237A0EF9EBC338_28968CAAD3EE949B_6041_UN,8.338378,00000000000000000000000000000000000000000100000000010001001111001101000001000000110000001010010100100110010000011100000001001111001001011100001111101111100111111111110,QJOJKJSIFJUIGG-UHFFFAOYSA-N
+N(C1=C(C=NC=C1)O)[S](C2=CC(=CC(=C2OC)OCC)C#N)(=O)=O,50C0B3E9780DC8FB_E14EA879D61E4E6F_6029_UN,8.338336,00000000000000000000000000000000110000000100000000010011001111001101010011000000110000001100011101100010001001001110010001001111001101011101101111101111110111111111110,QPWOLRBSFGVWDB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CSCC#N)NC2=CC(=CC=C2)CN3CCOCC3,2716D1966F129D7F_1CAF869AD8F4A76B_6041_UN,8.338044,00000000000000000000000000000000000000000100000000000000010000000000000000010000000001101001000100101000000001010000001011100100110011010110001001011001010111100111110,CZLOZDFVOQYLLJ-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)N=C=O)NCC2=CC=C(C)N(C2=O)C,BCE5E918729B89C5_6FEC9043FAAE6856_6041_UN,8.337983,00000000000000000000000000000000000000000000000000000000000000000100000000010011101001000000110001101000000010100100010101100101000001011100011111001111011110111111110,ZMDYQXMMPWSDAN-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)OCC2C(CCNC2)(C)C)C(F)(F)F,1FBD3BC25C9FF9E9_DFCC0275EB9AC46D_7022_DP,8.337698,00000000000000000000000000000000000000000010000000000000000000000010000000100000001000100011000001101000101101011101101001000011110000100110010111010111110101101111110,LEEPHUTYPOZPSB-UHFFFAOYSA-N
+C2(=C1C=CC=C(C1=CC=C2)C#N)NCC3=CC(=C(OC)C=C3)[N](=O)=O,D5BBA0D8DB48A24A_BA9E34D0FE7CC25B_6041_UN,8.337278,00000000000000000000000010000000000000000100000001000000100000010000001100000000001000000100011100001110010000000100000100101111001001010000001111101011110111111111110,GEISXGOPZHRIND-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC4=CC=C(OC2=CC=NC3=CC(=C(C=C23)OC)OC)C=C4,BF38B2AF2473E45C_AD5E8B55B3C4CE5E_6041_UN,8.337273,00000000000000000000000010000000000000100000000001000000100000010100001110000101000000000000111001100110010000100100010111101111001001010100111111101111100011111111110,RLTBPNKADKDOOP-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)CN[S](C2=CC(=C(C=C2)F)SC)(=O)=O)OC,89AD8BA05A746612_8D2B28B82A472DEB_6029_UN,8.337213,00000000000000000000000000000000110000000010000000010001001111001001010001000000011000011100011001001010001110001100010000001111001000101000110111101111110111111111110,WISAAVJHZMXGDT-UHFFFAOYSA-N
+C[C@@H]3C[C@@H](OC1=CC(=C(C=C1)CN2CCCC2)Cl)CC(C)(C)C3,9BAD31A90BC12B75_33F2FA14341FA566_6035_UN,8.336881,00000000000000000000000000000000000000000000000000000000000000000010000000110000000101110000000010001001000110011101001001100011110010100110010111011110110101101111110,BAAFGSRAPLCMKR-CRAIPNDOSA-N
+CC1=C(C(=CC=C1)CC#N)NC2(CCNCC2)CC=C,74831A8C6CE670E1_3C33F1F39D964831_6041_DP,8.336702,00000000000000000000000000000000001000000100000000000100000000000010000000000000101000100011000000111000100010011000001001000000110101010110001011010011010110101111010,XPZDWWQMQDJNQA-UHFFFAOYSA-N
+O[C@H](CCl)C1=CC(=CC=C1)NCC(C2=CC=C(OC)C=C2)N3CCOCC3,6877D4205A3924C6_DD999A8525FE5A4D_6041_UN,8.336608,00000000000000000000000000000000000000000000000000000000010000000000000000010001001001100001010100101001100001010100001011100111110111110111001101111001110111111111110,XOEQQROHEADSNV-BPGUCPLFSA-N
+O[C@H](CF)C1=CC(=CC=C1)NCC(C2=CC=C(OC)C=C2)N3CCOCC3,3E3CA6FE80613EAF_903746041225F11A_6041_UN,8.336602,00000000000000000000000000000000000000000010000000000000010000000000000000010001001001100001010100101000100001010100001011100111110111110111001101111001110111111111110,OASUDIBWNZDVNC-BPGUCPLFSA-N
+O(CCCCN1CCCC1)CC#CC2=CC(=CC(=C2)F)C#N,B6EEF4A9489C3FC7_90932D2D84C32B4D_6039_UN,8.336148,00000000000000000100000000000000000000000110000000000000000000000000000000010000000101110000000010001000000101010000001001100010110010100110001000011000010101100111110,OASCXYJBPKLMCI-UHFFFAOYSA-N
+C1(=C(C=CC=C1)CN2CCCC2=O)NC4=CC3=C(C=CC(N3C)=O)C=C4,86B3BFCF06AA7CC8_B0CD0E3D0DB7DF9C_6041_UN,8.336089,00000000000000000000000000000000000000000000000000000000000000000100000000010000100101100010110010101100010000110100011011100101110011011110001111011011011110111111110,GCXSWSDHGFUJMS-UHFFFAOYSA-N
+C1[C@H]3SC[C@@H](N1[S](C2=CC=C(C(CBr)=O)C=C2)(=O)=O)C3,F1AD9BE55A7C3598_B3BC5A7ECD5EFEDE_6029_UN,8.33574,00000000000000000000000000000000110010000000001000010001001111001001000001010000010100001000001010101010011000011000010011101000111010101110000001101000111110110111110,GKLSDIJKPNBFKU-QWRGUYRKSA-N
+C1[C@H]3SC[C@@H](N1[S](C2=CC=C(C(CF)=O)C=C2)(=O)=O)C3,F3E1045AAD03E5A9_F37AEBDC3BA67303_6029_UN,8.335725,00000000000000000000000000000000110010000010000000010001001111001001000001010000010100001000001010101010011000011000010011101000111010101110000001101000111110110111110,LZQYAHPOKMPCPD-QWRGUYRKSA-N
+C1[C@H]3SC[C@@H](N1[S](C2=CC=C(C(CCl)=O)C=C2)(=O)=O)C3,51BFA7F87A019A37_B449F35783E7E31E_6029_UN,8.335708,00000000000000000000000000000000110010000000000000010001001111001001000001010000010100001000001010101011011000011000010011101000111010101110000001101000111110110111110,JRSXKOLJMFMWKI-QWRGUYRKSA-N
+FC1=C(C=C(C=C1)N[S](C2=C(C=C(OC)C=C2)CCl)(=O)=O)C#N,71564C3112E4169C_6C45274FE0B1820E_6043_UN,8.335175,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011001011000000011001100001100010000001111001001111000001111101011110111111111110,JHFVKJZDEFMKNG-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC3=CC(=C(OC)C=C3)F,1AE8CBA32C9A678A_86D5131FC59A2D7A_6041_DP,8.335154,00000000000000000000000000000000000000000010000000000000010000100000000000000000001000110001010100101000100101010100001011000111110111110110001111010011110011111111110,LHAFCNWQQNQIJP-UHFFFAOYSA-N
+N2CCC(OCC1=CC=CC(=C1)SC(F)(F)F)C(C)(C)C2,9EF25C0146BBEC6E_32094D4E12DC4FAF_6039_DP,8.334931,00000000000000000000000000000000000000000010000000000000000100001010000000100000011000101001000001101000101111011001101001000011110010100110000101010111110101101111110,FXDFMPWQDVRYTI-UHFFFAOYSA-N
+N(CC1=C2C(=NC=C1)C=CC=C2)[S](C3=CC(=CC(=C3)C#N)SC)(=O)=O,B71821AAC05DDC3F_C3493D1E21B293BA_6029_UN,8.334817,00000000000000000000000000000000110000000100000000010001001111001101010001000000011000001000011000101110011000001000010001001100001000001100001001001001010110111111110,QGSATQGWTWKKFI-UHFFFAOYSA-N
+FC1=CC(=NC=C1)NC[C@@H]2CCCN(C)[C@H]2C3=C[N](N=C3)C,0DEB6A6A8A532D43_02061EBCA30962BA_6041_UN,8.33481,00000000000000000000000000000000000000100010000000001000000000100100000000010100101101110011011010101000000110010001101011101100110001110110001001011111010110101111010,BATNYFMHIXOFDH-BLLLJJGKSA-N
+N(C2=C1OCCC(C1=CC=C2)=O)C(C3=CC(=CC(=C3)N(C)C)C#N)=O,A9E1D104F1A267D0_412D8F07A13DB14A_6038_UN,8.334736,00000000000000000000000000000000000000000100000000000000010000000000000000100000000001100101110100100100010001100100011000100101000011011100001111111101111011111111110,YJYXUDNADFTAFX-UHFFFAOYSA-N
+CN(C)C1=NC(=CC=C1)C=CCC2(CCNCC2)C#N,5E3F31B852CAF5DE_8DADF34D4724862C_7019_DP,8.334572,00000000000000000000000000000000000000100100000000000000000000000110000000100100001001100001010000111000100000011000001011100000110001010110001001011101010110101111010,HNAYCYMEFILQPC-UHFFFAOYSA-N
+N3CCC1(CC1(CN)COC2=CC=C(C(C)(C)C(F)(F)F)C=C2)CC3,06DB086817F8BE46_E128DD57B681DD76_6035_DP,8.334449,00000000000000000000001000000000000000000010000000000000000000000010000000100000001010100011000001101000111101011100001001000011110100100110001101010101110101101111110,HRGLGSPPDJYUIL-UHFFFAOYSA-N
+COC1=CC=C(C=C1)OC2=CC=C(C=C2)COCC3=CC=CC(=C3)N(C)C,D6110BD43A9D7EDD_8548D7D25E07E315_6039_UN,8.334365,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001100000010000000000000001000100000000100111000001010010010101101100110111111111110,NHKCZXGIOFRULN-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)NCC34CC(CNC3)(F)C4,D4F3F8240E487541_08C9513A33D0F759_7022_DP,8.334091,00000000000100000000000000000000000000000010000000001100000000000110000000010000101100110010001010101000010100011000000011101100100101110110001011001011010110100111010,DVIAWSFXAHFVJL-UHFFFAOYSA-N
+O(C1=CC(=C(C=C1)C#N)F)C(C2=CC=C(CCN[S](C)(=O)=O)C=C2)=O,10CB2762A9200BC3_6F6BCBC275F6D5D3_6038_UN,8.334006,00000000000000000000000000000000110000000110000000010001001011000001010001000000001000011000011000001010101110011100111000011111001000101000101111111011111111111111110,XGMPDKLGSPSNIM-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)COC2=C(OC)C=C(C=C2Br)C#N)C3,19160679E4187FC8_6FE6AEA3209D3243_6035_DP,8.333475,00000000000000000000000000000000000000000100001000000000000000000000000010000000001100110001010010001100010101000100000001000111110000100110001111000011110101111111110,AAAZULIKCLXLTO-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)COC2=C(OC)C=C(C=C2Cl)C#N)C3,71DAC4F3A5D6931A_51E05FE7E229F584_6035_DP,8.333457,00000000000000000000000000000000000000000100000000000000000000000000000010000000001100110001010010001101010101000100000001000111110000100110001111000011110101111111110,QOZIPJGJGIXXBL-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[N](=O)=O)NC3=CN=C(N2CCN(C)CC2)C=C3,956D2515409071DF_4003EE95C1E65FD1_6041_UN,8.333424,00000000000000000000000010000000000000100000000001000000100000110100001100010101000001100000011001101010000000010101101111101111111001010110001111111111110011111111110,SRJMJXQJPBUQKD-UHFFFAOYSA-N
+O([C@H]1CC[C@H](CC1)C(F)(F)F)CC2=CC(=C(N(C)C)C=C2)C,233768572655F000_31C0920ACE40F160_6039_UN,8.333242,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001100000010000000000001111001000001000100011110011110000010111011110110111101111110,KULRUQMZHDOXHR-GASCZTMLSA-N
+O([C@@H](CC#N)C1=CC=CC=C1)C2=C(C=NC3=C2CNCC3)Br,216EB3632D84521B_199C9D6BB54E793E_6035_DP,8.333129,00000000000000000000000000000000000000000100001000000000000000000100000000000000101000110001000001101100110100010100001011000111110010100110001111010011110111100111110,CWGLBJUJLLDUAP-INIZCTEOSA-N
+O([C@@H](CC#N)C1=CC=CC=C1)C2=C(C=NC3=C2CNCC3)I,5CA7E645C147E4A9_9C43462AC493A42F_6035_DP,8.333107,00000000000000000000000000010000000000000100000000000000000000000100000000000000101000110001000001101100110100010100001011000111110010100110001111010011110111100111110,CWBAUXQXEAQTIH-INIZCTEOSA-N
+CC1=C(N=CC(=C1)[N](=O)=O)NC2=CN=C(OCCOC)C=C2,9C12E0604D6ACEE9_4EAA553D41877559_6041_UN,8.332532,00000000000000000000000010000000000000100000000001000000100000010100001110000101000000100000111001100010000001100101111111101111001011010110101111111111010111111111110,KVLNJYDYYPXJEU-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=N2)CCC3)NC4=CC(=C(C(=C4)F)N5CCCCC5)F,124058CFF125FBB2_75720490B2A44C38_6041_UN,8.332466,00000000000000000000000000000000000000100010000000000010000000100100000000010101000101110011000010101100110100010000001011100100110101110110001011011011010010100111010,RWYLCBBKFYVMKD-UHFFFAOYSA-N
+ClC1=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3CC4NCC5(C4)CCSCC5,7726730979A590B8_E3C5C1F12E4DC8D2_6034_UN,8.332228,00000000000000000000000000000000000010000000000000000000000000000110000000010001001101111011000011101101110100011100001011100101110000100110001111011001111110100111110,JADYREMNVYJYNY-UHFFFAOYSA-N
+CC(C)(C)CC1=C(C=CC=C1)NCCN2CCC(N(C)C)CC2,9175D5B0BD9077D6_A32E73572554A021_6041_UN,8.332016,00000000000000000000000000000000000000000000000000000000000000000010000000110001101001100011010000101000100010011001101001100000110001010110011011011111010110101111010,MHVCCFWOTKDOGR-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC(=C(C=C2)CBr)C)(=O)=O)F,A5E2393FA421BE2E_69F92F736BB7BAC2_6029_UN,8.331847,00000000000000000000000000000000110000000010001000010001001111001001010001000000011000011000011000001010101100011100111000001111001000101010000111111111110111111111110,YLURWLJKOHGDDQ-UHFFFAOYSA-N
+N(CCCOC1=C2C(=CC=C1)C=CC=C2)[S](C3=CC(=CC(=C3)CC#N)F)(=O)=O,DAFC12CD57F98F0E_54D3F009D12CC814_6029_UN,8.331827,00000000000000000000000000000000110000000110000000010001001111001001010001000000011000011010001001001110111101011100011000001111001010101010001101111001110111110111110,RQCIJMVUOLAYFU-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)C2=NN=C[N]2C)NC[C@@H]3CN(C[C@H]3OCC)CC4=CC=CC=C4,FB52A3394BC47DEB_7124AAB174F78BD7_6041_UN,8.331755,00000000000000000000000000000000000000100000000000001000000000100100000000010101101101100011011111001000000011000010000011101111110011010110011111001111110111101111110,GJMJNUBLUXVKBP-FYYLOGMGSA-N
+[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCCNOCC3=CC=CC=C3,E02F3F97EA74845C_161F871339A2E2CE_6026_DP,8.331308,00000000000000000000000010000000110000000000000000010011001111001101010101000001011100001000001011001110111001011000011001001110111110001110001001111001010111110111110,SPGSSQMHDSLMMB-UHFFFAOYSA-N
+C1(=CC(=CS1)C2OCCO2)NC3=CC(=C(N(C)C)C(=C3)F)F,F1BE0EF4E8E283A6_EE73C19475F21713_6041_UN,8.331209,00000000000000000000000000000000000010000010000100000000010000100000000010100000010101111000010010000000000101000000001010110100000011110110001010011111010011111111110,CSGIZWCVLBNITH-UHFFFAOYSA-N
+C2(=C(N=C1C=CC=CC1=C2)C#N)NC(C)(C)C3=N[NH]C(=N3)C4=CC=CS4,6EA959D03691F3D4_83413DA2E203B240_6041_UN,8.331017,00000000000000000000000000000000000010100100000000001100000000100110010000100101110100001000001010100100010000001000000011001100000101010100001011000111000010101111010,CVODYZCWNIJEMC-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)N2CCNCC2C3=CC=C(OC)C=C3,0EC72040B39BC6A9_60676597FCB9E89E_6026_DP,8.330941,00000000000000000000000000000000110000000100000000010001011111101001000011010001011100101001011110101010101000011100011011101111111000001110101101111011110011111111110,HIWAWJVVHUKYLP-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC=CC(=C2C)CSC)OC,B9608D0EB05065E9_29D47A7F67856F08_6026_UN,8.330898,00000000000000000000000000000000110000000000000000010001001111001001010011000000010000101001011000000010001000001101110000001111001001011000110111101111110111111111110,PFJVHFNORHMIEW-UHFFFAOYSA-N
+N(CCCC1=CC2=C(C=C1)OCO2)C(=O)C[N]3C=CC4=C3C=CC(=C4)[N](=O)=O,01DC007F69B52993_4C123EB452EC965F_6038_UN,8.330827,00000000000000000000000010001000000000000000000001000000110000010100001110010001001101000010101110001110110001110100011111111100111011011110101011111001111111110111110,CPXMSMPMJXHZRC-UHFFFAOYSA-N
+CC1=C(C=CC=C1)CC2(CCNCC2)OC4=CC(=C3OCOC3=C4)Cl,CE3010C2CBE00EE7_5401BCFFBE2C6FF2_6035_UN,8.330701,00000000000000000000000000001000000000000000000000000000010000000010000010000000001100110101000011101101110101011100101011010111110010100110000111110011110101111111110,SXHHNQGRBAVBHE-UHFFFAOYSA-N
+CCN3CCOC(CCOCC1=CC2=C(C=C1)COCC2)C3,333B5A2C2A6CD80D_8F1DA488985EF60C_6039_UN,8.330605,00000000000000000000000000000000000000000000000000000000010000000000000000010000000001100100000100101100010011010010101011100010110010000110000011111000110101111111110,GSRUGIHLNVTSGS-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)NCC2=C([S](C)(=O)=O)SC=C2)CC#N)OC,9C1448E655B72961_A71B31CF35A52309_6041_UN,8.330507,00000000000000000000000000000000000010000100000000010001001111001001000011000000011100001010010011001010000010011100000000001111101001011100111110101111110111111111110,YKVPQZDTQYHUBS-UHFFFAOYSA-N
+CCCC1=CC2=C(C=C1)N=CC=C2NCCOC3=CC=C([S](C)(=O)=O)C=C3,F46F5EED76DBB3C3_16810005E75520F6_6041_UN,8.330307,00000000000000000000000000000000000000000000000000010001001111001101000001000000111000001000010100101110110001011111001001001111001011011110001101111101110111111111110,MDKHMWYIYKYEPL-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2=NNC(=O)C2)NC3=CC(=C(SC)C=C3)C#N,08C7734D83673B16_A6C9623C797D50CE_6041_UN,8.330275,00000000000000000000000000000000000000000100000000001000000100101000010000000010110100001011111111000000100000110000010111001101000111010100001111000011001010101111110,RRXLJOSMBYCKDS-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3CNCC34COC4)C5CCNCC5,65A5F17F376396AE_47C61628B8F1CC0B_6034_UN,8.330193,00000000100100000000000000000000000000000000000000000000010000100110000000010000101101100011000011101100110001011000001011100100110100000110001001011001010111101111110,FROLAQILQVKTHI-UHFFFAOYSA-N
+CC1(CC2=C(CC1)N=C(S2)COCCCC3=CC=C(C)C=C3)C,430DC27E9762E0DE_4ED976DF28A6C677_6039_UN,8.330063,00000000000000000000000000000000000010000000000100000000000000000110000000100000010100101000000110000100010001011001101011000110110010000110010011010100010111001111110,GSJZDHBGQFKMBU-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)Cl)[S](=O)(=O)NC2=C(COC)C=C(C=C2)[N](=O)=O,E9EF2E47574DE2C9_C7FA509F627C70F7_6026_UN,8.329649,00000000000000000000000010000000110000000000000001010001101111011001011101000000010000111010011001000011001101001101010100101111001001111000101111101111110111111111110,JSUSTBFBOLNCCD-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)F)[S](=O)(=O)NC2=C(COC)C=C(C=C2)[N](=O)=O,89376485C28035E2_95E09F8B419A8D7C_6026_UN,8.329647,00000000000000000000000010000000110000000010000001010001101111011001011101000000010000111010011001000010001101001101010100101111001001111000101111101111110111111111110,SWYAMJWATNBJBJ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)I)[S](=O)(=O)NC2=C(COC)C=C(C=C2)[N](=O)=O,23D8CA70C39EDECD_57013F7245AE398B_6026_UN,8.329646,00000000000000000000000010010000110000000000000001010001101111011001011101000000010000111010011001000010001101001101010100101111001001111000101111101111110111111111110,HGFGQOZGVKOUPA-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)Br)[S](=O)(=O)NC2=C(COC)C=C(C=C2)[N](=O)=O,F634CC0C8C5F9734_AB4F92BE5511BDDF_6026_UN,8.329637,00000000000000000000000010000000110000000000001001010001101111011001011101000000010000111010011001000010001101001101010100101111001001111000101111101111110111111111110,SWRZYCJNZLLGIB-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)N[S](C2=C(C=C(C)C=C2)C#N)(=O)=O)N=CC=C3OC,E2E1612F92DFAEB7_5813C6CADFAD28C2_6028_UN,8.329308,00000000000000000000000000000000110000000100000000010001001111001101010001000001010000001000011001100110011000001100010001001111001001011100111111101111100011111111110,NKTJVQHAUCZRGN-UHFFFAOYSA-N
+C1(=CC=C(O1)C(F)(F)F)NCC3=CC2=C(N(C)CC2)C=C3,BEAA8565465F2CDE_6B8D017A748CAE4E_7022_UN,8.329004,00000000000000000000000000000000000000000010000000000000010000000000000000010000001101100000110010001100011110111001111011100100100001110110001010011001110110101111110,AJQFBDKJPXWXSH-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC3CC(OCC)C3[N]4C=CC=N4,9FEB97A2718727D1_093AEBB098FCB0D2_6041_UN,8.3284855,00000000000100000000001000000000000000000100000000001000000000100110000000010001100100000001001111000000100011011010000011101111010011010100001100011011110111101111110,NZAVHDZDSGWQJT-UHFFFAOYSA-N
+CC(C)(OCC1=C(ON=C1C)C2CC2)CC3=CC4=C(C=C3)CCCC4,91905D45F930FD3B_2CCDABC29BAFF5CE_6039_UN,8.328454,00000000000000000000001000000000000000000000000000000000010000100110000100100000000100000100001011000110010001001001101011001110110010000100010011010110110111011111110,QXFMZIOWOARIIV-UHFFFAOYSA-N
+C[Si](C)(C)CCOC[N]1C=CC2=C1N=CC=C2NCC(N(C)C)C3CCCCC3,23C170DDD98A25F4_9B20E8F7C2DDA6D6_6041_UN,8.328448,00000000000000000000100000001010000000100000000000000000000000000100000000110101101101100001010011101100010011111001111011100110110011010110011001011101010111101111110,PKWLQFCPYYITGW-UHFFFAOYSA-N
+CC2COC1=C(C=CC=C1)C2OCC3=NO[C@@H]4COC[C@H]34,18303418619A4C5D_2D7B1899C8EE6A07_6039_UN,8.328247,00000000000000000000000010000000000000000000000000000000010000000000000110000010000100100100001111100110010011010101000111001011110010000110100111100010110111011111110,MLYPXYASSUBPSH-URYPXGAPSA-N
+ClC1=C2C(=NC=C1)N(C=C2C3CC3)C[C@H](CC)NC4CC5=C(CC4)C=CC=C5,E7632082C75A10BA_D11619C9CB3AD4AC_6034_UN,8.327376,00000000000000000000001000000000000000100000000000000000000000100100000000010101000101010010000010101101110100010010101011100100110001100100001011011001010110101111010,SSOCWIBEBJDWMU-XJDOXCRVSA-N
+CC(OC1=CC=CC2=C1NCCC2)COC3CCOC3,E961B668A3D69A41_39EB113910DBDD76_6035_DP,8.327334,00000000000000000000000000000000000000000000000000000000010000000000000010000000001100100111000110101100110001010101001011000011110010010110000111110001110111111111110,KGOWWNMTOHQPMV-UHFFFAOYSA-N
+COC1=CC2=C(C(=C1)F)C=CN2CCOC3=C(C=C([S](C)(=O)=O)C=C3)N,C8F2C4651FAB1AC5_7E7728C601FED600_6034_UN,8.327251,00000000000000000000000000000000000000000010000000010001001111001101000001010000010111011001010111001110010101011100001001101111001011111110101111111111110111111111110,AHFKVHNUQUHAQB-UHFFFAOYSA-N
+NC[C@@H]1[C@H](CCC1)OC2=C(C3=C(C=C2)C=CC=C3)CN4CCOCC4,5F8A9916AF8ECDE7_7837DA55EA36C0E5_6035_UN,8.327096,00000000000000000000000000000000000000000000000000000000010000000000000000010000001011100011000111101100010001010100001011100111110010000110001111011011110101110111110,HPKDNVQXKWKQMB-XLIONFOSSA-N
+O(CC2CCC1COCCC1C2)CCCN3CCOCC3,4F1937592BA26531_3096C528C06FC98A_6039_UN,8.326886,00000000000000000000000000000000000000000000000000000000010000000000000000010000000001100000000101101100010001010000001011100010110010000110000001111000010101110101110,TZRAZXDCIZRDHX-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[N](=O)=O)NC2=CC4=C(C=C2)N=C3CCCN3C4=O,5ECCE8DB5D3E96A7_D909FFF07FC3CD1D_6041_UN,8.326745,00000000000000000000000010000000000000100000000001000000100000010100001100000100100101000000111111101110010000110100011111101111011001011100101111111011111011111111110,FJJHFJAXQORVMD-UHFFFAOYSA-N
+NC1=C(C=CC=C1)C3=NC2=C(C=C(C(=C2)F)F)N3CC4(OCC)CCOCC4,2575902D98A21FF2_8C058D687C52C077_6034_UN,8.326678,00000000000000000000000000000000000000100010000000000000010000100110000000010101100111110100000110101100010111001010001011100111110011110110001111011011110111111111110,MDDLNFZAZGGCST-UHFFFAOYSA-N
+CCOC1=C(C=CC(=C1)CN[S](C2=C(C=C(CCl)C=C2)Cl)(=O)=O)OC,F879CCEEA3889833_1DF97A0D686386CB_6029_UN,8.326242,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000011000011000001011001101001110010000001111001000101010100111101111110111111111110,FSGIRSYVMLTSCK-UHFFFAOYSA-N
+CC1(C)CCCC2=C1N=C(C(=C2)C#N)NCC(C)(C)C3=CN=CC=C3,E37A72387D28CA52_65A792BA29AE40FA_6041_UN,8.325966,00000000000000000000000000000000000000100100000000000000000000000110000000100100101000000000000000101100010010001001101011000100100001010100011011010111010110101111010,RPQZKAWLQLVLCW-UHFFFAOYSA-N
+N(CC1ON=C(C1)C2=CC3=C(C=C2)OCC3)C(C4=CC(=C(N(C)C)C=C4)F)=O,2E04CC71CDD0F6AE_503B9EEE53CD2043_6038_UN,8.32585,00000000000000000000000010000000000000000010000000000000010000100000000100100010101101110010111111001110010101110100011111101100000011110110001011111111111111111111110,KBTWMWSDSFQLGS-UHFFFAOYSA-N
+NCC(C)(OCCCN1CCC(F)(CC1)F)C2=CC=CC=C2,0777A76ACEA3E4B1_1D6AB3278F886002_6039_DP,8.325815,00000000000000000000000000000000000000000010000000000000000000000010000000010000001011110001000101101000000111011001101001100010110010100110001001011001110101101111110,FJKVTVUOGWFMTK-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NC2=C(C=CC(=C2)OC)C)Cl,8F75CDD5472AE853_75ACEE58DF2CAC1D_7022_UN,8.325776,00000000000000000000000000000000000000000000000000000000000000000000000000000000000000110001010001000001000101000101000000000111000001110000010111000111110111111111110,SBKITNSKVZCQFL-UHFFFAOYSA-N
+CN(C)CC1=CC=C(C=C1)[S](=O)(=O)NCCC2=C(C=CC(=C2)OC)Br,C52386822E7EFC31_638BDBE835EEAA14_6026_UN,8.325232,00000000000000000000000000000000110000000000001000010001001111001001010001100000011001111000011000001010101100011101011000101111001000101010011111111111110111111111110,CRNQBCARXWBDDS-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)C#N)NCC3(CCNC3)C(C)(C)C,C5E279BFB123FDAD_F06A70314814055B_6041_DP,8.325041,00000000000000000000000000000000000000000100000000000100000000000110000000100000101100100011000010101100110010011000101011000100110101010110011001010101010110101111010,YCXODNABJSDICP-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCN(CC2)C3CC3)NCCC4CN(C)C4,691C7ED75D67FDE7_B9EC8CFA7B5E5B7E_7022_UN,8.324885,00000000100100000000001000000000000000000000000000000000000000100000000000010001001001100001010000101000100010010001001011100000110001010110001001011001010110101111010,VTKVTHXOKUJWTA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=CC(=C([S](C)(=O)=O)C=C2)Cl,7D40CAC2A008706E_9EA0AD143A26BBE8_7022_UN,8.324842,00000000000000000000000000000000000000000000000000010001001111001001000001000000010000111001010100000011000100001101000000001111001001111000010111101111110111111111110,ATQRUSVQSGBFSV-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=CC(=C([S](C)(=O)=O)C=C2)F,08A6D7C45E804DF2_F80615B711776F09_7022_UN,8.324833,00000000000000000000000000000000000000000010000000010001001111001001000001000000010000111001010100000010000100001101000000001111001001111000010111101111110111111111110,QCZBRASINNZCTN-UHFFFAOYSA-N
+C1(=CC(=CC=C1)[S](=O)CCCC#N)NC2=CC3=C(C=C2)COCC3,C2AC18E3E327A3B1_E7FC92C05AA74623_6041_UN,8.324559,00000000000000000000000000000000000000000100000000010000010111001001000001000000010000101001000000100110010001010000001000001100110011010110001011011001010111110111110,NLDDBAUVOURZSF-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCOCC2)C#N)NC[C@@]3(CCCN3)C,18EC2DE40DDC5167_D27EC780EA295452_6041_DP,8.324383,00000000000000000000000000000000000000000100000000000010010000100110000000000001101100100011000010101000100011011001101011000000110111010110001001010001010111101111110,ODHGXBAUGWOCHC-INIZCTEOSA-N
+NCCC1=CN(C2=C1C=C(C=C2)F)CCOC3(CN)CCCC3,C4117681557C8749_857636A2F5ED39D9_6034_UN,8.3243,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111010011000110001100110101011000001001100111110110100110001100011001110111100111110,DNSCWERQRJRDRA-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Cl)CCOC3(CN)CCCC3,EE2489B423BC712F_D09FFBCCD9B85E90_6034_UN,8.32429,00000000000000000000000000000000000000000000000000000000000000000110000000010000001111010011000110001101110101011000001001100111110110100110001100011001110111100111110,HQVXWEYATWOUQC-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Br)CCOC3(CN)CCCC3,0ADC5B2EB2044B80_F827255538F939EC_6034_UN,8.3242855,00000000000000000000000000000000000000000000001000000000000000000110000000010000001111010011000110001100110101011000001001100111110110100110001100011001110111100111110,MOUXNEWNICLYMZ-UHFFFAOYSA-N
+COC(=O)C2=CC1=C(C=C(C=C1)OC)[N]2CC3=CC=C(C4=C3CNCC4)N,766B1F75D6A2E3B4_9265398AADE8A652_6034_DP,8.324034,00000000000000000000000000000000000000000000000000000000000000000100000000010000001111100011010111101100110000010100001011110111110101010110001111111111111111111111110,BPKGBHZCWKNHNK-UHFFFAOYSA-N
+CC(CC1=CC=C(C=C1)NCC23CCNC2CCCC3)C#N,E7FDD8406A07281D_8069781D7BE969E6_6041_DP,8.323666,00000000000000000000000000000000000000000100000000000100000000000010000000000000101100000011000010001100110000011001001001000000110101010110001001010001010110101111010,SODMGBQLLKGVHS-UHFFFAOYSA-N
+CC(=O)CCC1=CC=C(C=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O,D1CC56B771F6F94A_D8F0DD32237B63DB_6041_UN,8.323575,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000000010001000000010000000000011101100101100001011011000001011111111101110111111110,NOOHWTWUWBMXBH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)C2)NC3=CC=CC4=C3CCN(C)C4=O,669E9AA16DE776DB_3FBCB5101EE879A6_6041_UN,8.323431,00000000000000000000000000000000000000000000000000000000010000000000000010010000000001100011110000101100010001110101111011100101100011011110001111111011111011111111110,BKRVXMQUECIARQ-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=CC(=C(C=C1)NC2=C(C=CC(=C2)OC)F)F,E83141E79B06419C_0B41581A8202549D_6041_UN,8.323262,00000000000000000000000000000000000000011010000010010001001011000001000001000000000000011000010001000010001101001100100000001111001001111000100111101111110111111111110,WRJLSBASVGCLEJ-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NCC3(CCNCC3)C,D9D0CDF016CC0D73_811CE65F0B64D3DC_7022_DP,8.322744,00000000000000000000000000000000000000000010000000000000000000000010000000000000001000110011000000101000100101011001101001000011110111110110001101010001110111101111110,LFJYDJLTCMDXCY-UHFFFAOYSA-N
+COC1(CCNCC1OC2=C(C)C=CC3=C2C=CC=C3)OC,8B95FCD40C250771_66049ED183B0C75C_6035_DP,8.322713,00000000000000000000000000000000000000000000000000000000000000000000000010000000001000100001010101101100110010011100101001010111110010000110010111110111110001111111110,DSNRRTDWZKUTDD-UHFFFAOYSA-N
+CC4=CC1=C(C=C(C=C1C)NC2=CC(=C(C=C2)N3CCOCC3)F)[NH]4,05D2E7524CC4F294_C3F796081D3CFDA4_6041_UN,8.322623,00000000000000000000000000000000000000000010000000000100010000100100000000010000100101110000000110101100010101010000001011100100110111110110001011011111010011101111110,PRMBDPXQKSTDGD-UHFFFAOYSA-N
+NC1(CCNCC1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F,1474BD719F547556_1DEFB30EBB25FE33_6035_UN,8.322562,00000000000000000000000000000000000000000010000000000100000000100010000000000000101010100011000001101000101101011100001001000111110111100110001101010001110111100111110,KUVNHHWLICFGJU-UHFFFAOYSA-N
+CN1CC2(C1)CCNCC2COC3=CC(=C(SC)C=C3)Br,97949293C3238281_463AFC05EC768F5B_6035_UN,8.322527,00000000100100000000000000000000000000000000001000000000000100001010000000010000011001111011010001101000110111011101001011100011110000100110001111011111110101101111110,NXTCSUCJPUBXJQ-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=C(C=C2)F)NCC3CCN(CC3)C4=NC=CC=N4,672624580B257358_40EC2ED51C2883B9_6041_UN,8.322436,00000000000000000000000001000000000000000010000000000000000000100100000000010101101101110011010010101100011110010000001011100100110001110110001011011011010110101111010,XFHDSNMSCGZCKS-UHFFFAOYSA-N
+CN(C)[C@H]1[C@@H](CCC1)COC2=CC=C(C=C2)CC3CCCNC3,25987074FA2C876F_28246BECC611D20E_6035_UN,8.322042,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100011010011101000100011010100101001100011110001000110001101011111110111101111110,UPJZMCSZSRTSLA-AQCCAAQSSA-N
+COC1=CC(=C(C=C1)NC2=CC=C(SCCCOC)C=C2)[N](=O)=O,4F3B15564FB110FC_80E41758B157B9CE_6041_UN,8.32189,00000000000000000000000010000000000000000000000001000000100100011000001100000001010000101000011001000010000011000101101100101111001011010010101111111111110111111111110,WILNXNAJKMHMAU-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C(=O)CC2)[S](C3=C(CBr)C=CC(=C3)C#N)(=O)=O,46E298839D4207E3_1B793968A0C7F1F5_6029_UN,8.321808,00000000000000000000000000000000110000000100001000010001001111001001010001000000010000001001001010000110011000001000011000001101001011111000001111111011111110110111110,WBMHJJFDVNJAMC-UHFFFAOYSA-N
+COC(=O)C2=CC1=C(C=C(C=C1)OC)N2CC3NCCC4=C3C=CC=C4,368522372D6FDFE7_CE7AFF9F93197046_6034_UN,8.321692,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101000001010111101100110000010100001011110111110000000110001111111111111111111111110,PSNNRRZMXDSIBF-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NCC4=CC=C(OC3=C(OC)C=CC=C3)C=C4,844D70DA6F6F1F06_26BDB63C10C85F5B_6026_UN,8.321518,00000000000000000000000000000000110000000000001000010001001111001001010011000000011000011000011000001110011100001100010000001111001000101000100111101011110111111111110,QMNNQTXNHQKULB-UHFFFAOYSA-N
+ClC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC4C3=C(C=C(OC)C=C3)OCC4,516C034E68FEAF63_6E504A4584215666_6026_UN,8.320972,00000000000000000000000000000000110000000000000000010001011111001001010001000000010000011110011001100111111101011100011000001111001011101100100111111001110011111111110,IWKFVNWBTMLQJR-UHFFFAOYSA-N
+FC1=CC(=CC=C1)OC2=CC=C(C=C2)[S](=O)(=O)NC4C3=C(C=C(OC)C=C3)OCC4,D9011BB00A0D445F_531F460290AF9F85_6026_UN,8.320965,00000000000000000000000000000000110000000010000000010001011111001001010001000000010000011110011001100110111101011100011000001111001011101100100111111001110011111111110,OPXSXWOMQLYSHQ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)NC2=CC(=C(C=C2)F)N3CCC[S]3(=O)=O,D8911BD2FE3C5583_3EBAA3DBFB5595A2_6041_UN,8.320958,00000000000000000000000000000000110010000010000000010001001011100001000001010000110100011000011111001010001100011100011011101111011011111110101111111111110011111111110,IRIWPUZXBSQFQK-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)NC2=CC(=C(C=C2)Cl)N3CCC[S]3(=O)=O,E545E1622DF21187_B22B70AD95C790B5_7022_UN,8.320948,00000000000000000000000000000000110010000000000000010001001011100001000001010000110100011000011111001011001100011100011011101111011011111110101111111111110011111111110,WTQVZANYTNATTQ-UHFFFAOYSA-N
+N2CC(OC1=C(OC)C=CC(=C1)Br)(C2)C3=C(C=CC=C3)F,9DA9AB9D47B5C4FE_774FFCBF812905EA_6035_DP,8.320635,00000000100100000000000000000000000000000010001000000000000000100010000010000000001000110010010100001000000100001100000001000111000010100110000111000011110001111111110,FZFOYRQVOZDONM-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC(N2CCOCC2)C3=CC(=CC=C3)Cl,4D4460F09B7CA4C0_63E41375B4CAA3B4_7022_UN,8.3206215,00000000000000000000000000001000000000000000000000000000010000000010000000110001001001110001010100101001000101011101001011110111110011110110011111111111110111111111110,LAWQRBDAMGPMND-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCC(N2CCOCC2)C3=CC(=CC=C3)F,F4B1492B570BB1BE_9840695BB72D0322_7022_UN,8.320605,00000000000000000000000000001000000000000010000000000000010000000010000000110001001001110001010100101000000101011101001011110111110011110110011111111111110111111111110,RLWAAQHPHAUSPF-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)NCC4=C(C(=C(C(=C4F)F)F)F)F,5D8219D4E70FBF9F_B4E92BB565A8F0AB_6041_DP,8.320564,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011000010101100110100010000001011100100110101110110001011011011010110100111010,UNNDKEBEAQFAJK-ZJUUUORDSA-N
+FC1=C(C(=CC=C1)CC#N)NC3=CC=C(C2OCCNC2)C=C3,9723428229DEB8D1_0C68F02F12B3090F_6041_DP,8.319719,00000000000000000000000000000000000000000110000000000000010000100000000000000000001000110011000100101000100101010000001011000100110111110110001011010011110111100111110,HLHWJESANRYVEK-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1F)F)NCC(C)(C)C[N]2C=CC=N2,23335E1971ECB5BA_006866729918C2A5_6041_UN,8.319628,00000000000000000000000000001000000000000010000000001000000000000110000000110000101100110011011110001000000101011101000011111111000001110110011110001111110111111111110,BBCPCXKFGMSMHF-UHFFFAOYSA-N
+CCOC3CC(OC1=C(C=CC=C1)CNC2=CC(=C(C=C2)F)Cl)C34CCCCC4,31E1E47A5C12F088_CDED7D181D121177_6035_UN,8.319136,00000000000100000000000000000000000000000010000000000000000000000010000000000000001000010100000001001001010111001110001000000111110011110010000111010011110111111111110,OBRZJPLOVAQSHE-UHFFFAOYSA-N
+ClC2=C1N(C=C(C1=CC=C2)CC#N)CC3C(C)(NCCO3)C,53156D1B2C8D8BFD_EAB1010BFBC31EC1_6034_UN,8.319003,00000000000000000000000000000000000000000100000000000000010000000110000000110000101101010011000110101101110111011000101011100100110010100110001001011111110111101111110,HFTJITBVNMPTNP-UHFFFAOYSA-N
+BrC2=C1N(C=C(C1=CC=C2)CC#N)CC3C(C)(NCCO3)C,ACAD2C7599359440_DFFDE8FECC760ABB_6034_UN,8.318996,00000000000000000000000000000000000000000100001000000000010000000110000000110000101101010011000110101100110111011000101011100100110010100110001001011111110111101111110,FVIVCGCXEMTMBR-UHFFFAOYSA-N
+COC4(COCC1=CC(=CC2=C1OC(OC2)C3=CSC=C3)F)CCNC4,45AC144B61332EDC_D60A062DE3EF0509_6039_DP,8.31892,00000000000000000000000000000000000010000010000000000000010000100010000010000000001100111111010111101100110111011100101011010111110010100110100111110001110101111111110,RSQOGSKYJWBCIM-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)C2CC2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,0BA1B65A58FCBC92_A2A4D9A6889B1D2C_6041_UN,8.318873,00000000000000000000001000000000000000000010000000001000010000100100000000010000101101110001011110101000000111010001101011101100110011110110001011011111110111101111110,REXKBEFLYIKVBB-OALUTQOASA-N
+O([C@@H]2CC[C@@H]1CCCN[C@@H]1C2)C4=C(C3=C(N=C(C)C=C3)C=C4)Cl,86055929EDB6E348_87CC9A6EB02C0D63_6035_UN,8.318855,00000000000000000000000000000000000000000000000000000000000000000100000000000000001000010011000001101101110100010100001011000111110010100100001111010011110011101111110,LUJPITWBYHPJPM-JJRVBVJISA-N
+O(C2=C1N=CC=CC1=C(C=C2)[N](=O)=O)CC3=CC(=CC(=C3)C#N)F,AD666A3CF435CD37_957AF65D0BB715EE_6039_UN,8.318647,00000000000000000000000010000000000000000110000001000000100000010100001100000000100000010000001100100110010101000100000101101111001001110100001101101000110111110111110,ZFDRXSLYVINMRW-UHFFFAOYSA-N
+CCC1(CNC1)OC3=CC=C(CNCC2N(CC)CCC2)C=C3,AD9D9B32D2E636B4_4EC6DE072C740ED1_6035_UN,8.318497,00000000100100000000000000000000000000000000000000000000000000000010000000010001001101100011000110001000000010011110101011100011110110000110001100011111110111101111110,OLOKWHXPDCACFX-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)[N](=O)=O)NCCC2=CC=CS2,966FC75BD63CE352_E32B8378B3372FCF_6041_UN,8.317759,00000000000000000000000010000000000010000000000001000000100000010000001100000000011100101010011011001010100001010001001100101110101001010110001010111011010111111111110,SJOSELCUOQTCBQ-UHFFFAOYSA-N
+ClC1=CC=C(C=C1)C2=COC(=O)N2CC4CNC3(CCC3)C4,A36E36CA7CF45C2F_8CD05BA814F40A76_6034_UN,8.317473,00000000000100000000000100000000000000000000000000000000010000100110000000010000101101010011000110001001111100111100011011110101110000100110001110011011011110110111110,JTIPAEBHWQISHE-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)C2=COC(=O)N2CC4CNC3(CCC3)C4,C53527E7A7FC848F_53E7309D85C465D7_6034_UN,8.317473,00000000000100000000000100000000000000000000001000000000010000100110000000010000101101010011000110001000111100111100011011110101110000100110001110011011011110110111110,LOFMZVMDJZKHNS-UHFFFAOYSA-N
+CC1=C(C=NC(=C1)[N](=O)=O)NC3=C(OC2=CC=C(OC)C=C2)N=CC=C3,6C1D6BBEADB46C76_EEB0D1DCAB0E5784_6041_UN,8.317302,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000000111100100010000000100100010111101111001001010100101111101111100011111111110,ZUYGTKNFILXQFI-UHFFFAOYSA-N
+NCC(F)(F)C3(OC1=CC=C(C=C1)C2=CC=N[NH]2)CCOCC3,6E04A18A3ABD1672_CDA10B4EEE61D994_6035_UN,8.317134,00000000000000000000000000000000000000000010000000001000010000100110010000000000101110100101001011101000000101001100001011001111110110100110001101010001110111110111110,QGRZRQULMVPYNZ-UHFFFAOYSA-N
+O(C1CCC2=C1C=CC(=C2)F)C4=CC=C(CNCC3N(CC)CCC3)C=C4,8E343C880BF6D39B_03C34C045DE38BEC_6035_UN,8.317108,00000000000000000000000000000000000000000010000000000000000000000000000000010001001101110011000010001100010110010110101001100111110010100110001111011011110111101111110,SYZCFLBRPYGQIM-UHFFFAOYSA-N
+O(C1CCC2=C1C=CC(=C2)Cl)C4=CC=C(CNCC3N(CC)CCC3)C=C4,A79AE86346808179_73A154CF180BC88F_6035_UN,8.317101,00000000000000000000000000000000000000000000000000000000000000000000000000010001001101110011000010001101010110010110101001100111110010100110001111011011110111101111110,LBKUZOPWXHWEFI-UHFFFAOYSA-N
+O(C1CCC2=C1C=CC(=C2)Br)C4=CC=C(CNCC3N(CC)CCC3)C=C4,FDD1AF850AE6997B_773C83992001CB94_6035_UN,8.317095,00000000000000000000000000000000000000000000001000000000000000000000000000010001001101110011000010001100010110010110101001100111110010100110001111011011110111101111110,FLXBYXCHBBJIPC-UHFFFAOYSA-N
+O(C1C2(OCCC1)CNC2)C3=C(CN)C=C(C=C3)C(F)(F)F,E6F3E57C5835BFE3_D282C3B11CB6C577_6035_UN,8.316958,00000000100100000000000000000000000000000010000000000000010000000010000010000000001010100011000101101000011101001100001011000011110110100110001111010011110101110111110,RCDIENCXQHAOBH-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC3=CC2=C(OCCNC2)C=C3)CCl,0B29D8218C36C62D_BDE2F3965B5E89D9_6026_DP,8.315951,00000000000000000001000000000000110000000000000000010001011111001001010001000000011000101001011101001111111001011100011011001111111111111110101111111011110111111111110,UQLXGEYMYXDZHL-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)NCCC2CCCCN2,C0E9672FF42523EE_8B58EEE529FF3A24_6041_DP,8.315628,00000000000000000000000000000000000000000100000000000100000000000010000000100000101000000011000000101000100010011000001001000000110101010110011011010111010110101111010,NAWDBIGOXHZFKG-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NC3=C(C(=CC=C3)C#N)F,837C2EE30ADB4DB8_65655336A470FD4F_6041_DP,8.315436,00000000000000000000000000000000000000000110000000000000010000100000000000000000001000110001000100101000100101010000001011000100110111110110001011010011110011100111110,YUYATBIYCPVLTO-UHFFFAOYSA-N
+C1(=CSC(=N1)C2OCCO2)NC3=CC=C(CO[Si](C)(C)C)C=C3,B025D16D7D544202_2811798A24C1FDC2_6041_UN,8.315418,00000000000000000000100000000010000010100000000100000000010000100100000010100100010100101000010110000010000001001000101011011110000011010110011000111101010111111111110,VXSREZSAADGJMV-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N=[N]#N)NC2=CC=C(SCCOC)C=C2,BABE798D7886C608_8579C0AB65843A5A_6041_UN,8.315263,00000000000000000000000000000000000000000000000001001000000100001000001000000100010000101000011000000000000001000001101100001110001011010010001011010111010111101111110,SGERPJYBURYNTG-UHFFFAOYSA-N
+CC2=C1C(=C(C=CC1=CC=N2)F)NCC3(CCNC3)C,B324E1AA303C4A7D_3BA7631F4B560C71_6041_DP,8.314741,00000000000000000000000000000000000000000010000000000100000000000110000000000000101100110011000010101100110110011001101011000100110101110110001011010111010110101111010,YVQDJIVXHHZBDN-UHFFFAOYSA-N
+O(CCCC1=CC2=C(C=C1)OCC2)CC3=C([N](=O)=O)C=CC(=C3)F,A7E0C0BCACB88F55_7A1C9967865BDFAF_6039_UN,8.313624,00000000000000000000000010000000000000000010000001000000110000010000001100000000000100110000001011000110010101000100001100101110111011110110100011111010110111110111110,LUNNSLDVBCXMNU-UHFFFAOYSA-N
+O(C(CC#N)(C1=CC=CO1)C(F)(F)F)CC2OCCNC2,DDA4629CE0F32F23_2C38FECE1E124037_6039_DP,8.3134575,00000000000000000000000000000000000000000110000000000000010000000010000010000000001100100011000111101000101101011000001011000010110010100110001000110001110101110111110,VYYUGNWXAMIQDE-UHFFFAOYSA-N
+C1(=CC=C(S1)[S](=O)(=O)N2CCOCC2)NC3=C(C=C(CC)C=C3)C#N,72B2312D46397A3C_9C5F86EB4A642808_6041_UN,8.313307,00000000000000000000000000000000110010000100000100010001011111001001000001010000110100101000001110101010001001011010011011101100111011011110001011111011010111111111110,YGZCZUZJYUKMBA-UHFFFAOYSA-N
+COC3CNC(C)(COC1=C(C=NC2=C(C)C=C(C=C12)Br)C#N)C3,C4BD058A305DE3C2_45B09BD532E3EA73_6035_UN,8.31316,00000000000000000000000000000000000000000100001000000000000000000110000000000000101100010011010111101100110111011101100011000111110010100110011111000111110111111111110,BVSWEUQZBUNRLY-UHFFFAOYSA-N
+CC3(C)CNCCC(OC1=CC=C(C=C1)CN2CCOCC2)C3,3B962470C0626563_F345AA96DF8673DD_6035_UN,8.313154,00000000000000000001000000000000000000000000000000000000010000000010000000110000001001100011000101101000100011011101001011100011110010000110001101011101110101111111110,PEAJBBSENZRNIP-UHFFFAOYSA-N
+O[C@@H](CF)C1=CC(=CC=C1)NC(CN2CCNCC2)(C)C,A4B9CBE5B3C05F7F_83C25334320C4CDD_6041_DP,8.312897,00000000000000000000000000000000000000000010000000000000000000000010000000110001001001100001000000101000100010011001001011100000110111110111001001011101110111101111110,BTWRLDRFFOLOSU-HNNXBMFYSA-N
+CC1(C)CCC2=C1N=C(C(=C2)C#N)NCCCC3=CC=N[N]3C,3AEC0A32D73E882F_BBAAD15760C6B502_6041_UN,8.312881,00000000000000000000000000000000000000100100000000001000000000000110000000110100101100000010011010101100110010011001101011101100000001010100011010011111010110101111010,ZNDYNKUNPYEIBV-UHFFFAOYSA-N
+O[C@@H](CCl)C1=CC(=CC=C1)NC(CN2CCNCC2)(C)C,4CCE217893A757AD_20CA4EBE51DDB42C_6041_DP,8.312879,00000000000000000000000000000000000000000000000000000000000000000010000000110001001001100001000000101001100010011001001011100000110111110111001001011101110111101111110,MBDYEYJANUONNH-HNNXBMFYSA-N
+C1(=C(C(=C(C=C1)Cl)C#N)F)NC3(C2=C(OC)C=CC(=C2)Br)CC3,B13963ABF01F697E_62C205F879E167F5_7022_UN,8.31262,00000000000000000000001000000000000000000110001000000000000000100010000000000000000000010010010001000001100100011100000000000111000001110000001111010011100011101111110,SUPITJRBRDKNKC-UHFFFAOYSA-N
+CC1=C(C=CC(=C1F)NC[C@H]2CNCC(O2)(C)C)C#N,CBFAF0C78856EE53_8B75DF4015156468_6041_DP,8.31257,00000000000000000000000000000000000000000110000000000100010000000010000000100000101000110010000100101000000110001001000011000000100111110110011011000111110111101111110,LSNMGDTYTNYRMS-GFCCVEGCSA-N
+COC1=C(C(=CC=C1)[S](=O)(=O)NC2=CC=C(CN(C)C)C=C2)OC,7FC3454B9F51C79C_A5D050403D42FB2C_6026_UN,8.312336,00000000000000000000000000000000110000000000000000010001001111001001010011100000010001101100011001001010001000001101010000101111001001011000111111101111110111111111110,BMCGDTXSYKHBMR-UHFFFAOYSA-N
+CN(C)CC(OC1=C(N)C=C(C(=C1)Cl)Cl)CN2CCNCC2,F139EAF5A6F777C9_8AB33AB7349D7BC7_6035_UN,8.312331,00000000000000000000000000000000000000000000000000000000000000000000000000110001101011110001010100101001100110010101001011100011110111110110001111011111110111101111110,YHLPBPOWKAAOMK-UHFFFAOYSA-N
+N(C1=C(N=CC=C1)C#N)[S](C2=CC(=CC(=C2)CBr)Cl)(=O)=O,1EAE67D37370DBC8_F15ED8818270DE1B_6029_UN,8.312278,00000000000000000000000000000000110000000100001000010001001111001101010001000001110000011000001000100011001100001000010001001100001001111100001011001011010110110111110,UVXRLRUPJDLQAY-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NCC2CCN(CC(F)(F)F)CC2)F,ADEE32A43C3E20DB_4882894E138BFF98_7022_UN,8.312185,00000000000000000000000000000000000000000010000000000000000000000000000000110000001001110011010000101000001100011001001001100000110001110110001011011111010110101111010,HFVLHBVLIGSDDP-UHFFFAOYSA-N
+O(CC1CNCC(O1)C(F)(F)F)C3=C2C=C(C=CC2=CC=C3)C#N,BEFFB7F09F12174B_5AAD274753C0065E_6035_UN,8.312074,00000000000000000000000000000000000000000110000000000000010000000000000010000000001000100010000101101100011101001100000011000111100010100110001101000001110101110111110,LZHIZXMOMDMSLB-UHFFFAOYSA-N
+CN1CC[N]2N=CC(=C12)NC(CCOC)C3=CC=C(C)O3,E6C3C81B69DA9032_D221B336ABAEBF76_6041_UN,8.312053,00000000000000000000000000000000000000100000000000001000010000000100000000010101100101100011011111001100110011010001101011101110000011010110011010011101110111111110110,XSTMJQCDFQMCER-UHFFFAOYSA-N
+COC1=CC(=CC(=C1)OC)C(OC3=CC=C(C2=CCNCC2)C=C3)C#N,76A0D0EC907A320D_8A5012BDCFA67CDA_6035_DP,8.311967,00000000000000000000000000000000000000000100000000100000000000100000000000001000001000100101010100111000100000010100001001000111110000000110001101110101110001111111110,BFWXFAMJBHTTRW-UHFFFAOYSA-N
+CC1(C)[C@H]4C[C@@H]1C(=C)[C@@H](OC3=C2C=C(C=CC2=CC=N3)Cl)C4,BAF61CF72FFE5E02_4F59C68E67E9D8D9_6035_UN,8.311881,00000000000100000000000000000000001000000000000000100000000000000110000000101000000000010000100000110101010100101100110001000111100010100100000101000110100011001111110,FUUGCAOBNWLPNT-XKQJLSEDSA-N
+CC1(C)[C@H]4C[C@@H]1C(=C)[C@@H](OC3=C2C=C(C=CC2=CC=N3)Br)C4,970FE1F7298D5A0B_90846EBB6C81DA45_6035_UN,8.31187,00000000000100000000000000000000001000000000001000100000000000000110000000101000000000010000100000110100010100101100110001000111100010100100000101000110100011001111110,DPJSBJVPYGDARJ-XKQJLSEDSA-N
+O=[N](=O)C1=C(C(=CC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3)C#N,7B093A00BF3D3178_F6CF02BC67302FA4_6006_UN,8.311599,00000000000000000000000010001000000000000100000001000000100000110000001100000000100000100000011000000110010001000101000100111111001001010000101111101010110111111111110,XBUFABRYXFDBIH-UHFFFAOYSA-N
+O(C(=O)C2=C1[NH]C3=C(C1=CC=C2)CCC3)CCC4=C(C=C(C=C4)[N](=O)=O)Br,7786090E612BF2FD_573786D528796D9E_6031_UN,8.311494,00000000000000000000000010000000000000000000001001000000100000010100001100000000000100010011001011000110110101010000001101111110011011111100101011111011011111110111110,NBOOJWZJXZXRJT-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(COC)C(=CC=C2)C)OC,40C0B902FC6AD292_003261A500D34714_6026_UN,8.311118,00000000000000000000000000000000110000000000000000010001001111001001010011000000010000101010011001000010001001001101110000001111001001011000110111101111110111111111110,JCPTTXOTUQNHMY-UHFFFAOYSA-N
+C[S](=O)(=NC1=CC(=CC=C1)NC3=CC2=C(NCCC2)C=C3)C,3BFD84CB756F0778_D5B29FD5322DA8AE_6041_DP,8.311098,00000000000000000000000000000000110000000000000000010000001011000001000001100000101000101011011000101110110000011000011101001100101101010100001011011101010010101111110,YBCGFPFEBJSKBW-UHFFFAOYSA-N
+CN(CC1=CC=NC=C1)[C@H]2[C@@H](CNC2)OC4=C3C=COC3=C(C=C4)Br,FC0C21FDF0E4CAC9_44C668FE8CC348F0_6035_UN,8.310915,00000000000000000000000000000000000000000000001000000000010000000100000000000001101101110101010111101100010110010101100011100111110011100110001101001011110111111111110,RCDJSSGTGRGHPA-SJLPKXTDSA-N
+CC1=NC(=C(C=C1)[N](=O)=O)NC2=CC=C(C=C2)N3CCC3=O,B66BD87A514DEE0A_F0D150FFEDC85776_6041_UN,8.310715,00000000100100000000000010000000000000100000000001000000100000110100001100010101000001000000101001101010000000110000011111101101001011011100001111111011011010111111110,QMKJYZFHJLNWOC-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NCCN2CCC(C)(C)C2)Cl,B6D42620AF453E95_64725B5D5C4DEC10_7022_UN,8.309985,00000000000000000000000000000000000000000000000000000000000000000010000000110001001101110001010010001001100111011001101001100010110001110110011010011111010111101111110,RULIRNQQVZOCAS-UHFFFAOYSA-N
+O(C(=O)CC1=CC2=C(C=C1)OCC2)CCC(C3=CC=C(OC)C=C3)N,7CBE45B4E5CA3D8F_E4C7DD5CE14D4F6E_6031_UN,8.309864,00000000000000000000000000000000000000000000000000000000010000000000000000000000000110000010010011000100110001010100001000010111110010000110100111110001111111111111110,WQDWAMNHVZIUSI-UHFFFAOYSA-N
+CN2CCCN(CC1=C(C=C(C=C1)NCCOCCN(C)C)F)CC2,CE44E02416CD4371_5F1B2CE027CB2735_6041_UN,8.309273,00000000000000000001000000000000000000000010000000000000000000000000000000110001101001110001010100001000100111010001101011100010110011110110011010011111010111101111110,MMAWMLSNFPBJHJ-UHFFFAOYSA-N
+FC1=CC=C(C=C1)C3=NC2=C(C=CC=C2)N3C[C@H]5N[C@H]4CCCC[C@H]4C5,77331474514CD790_996AFB2E39A39FE2_6034_UN,8.309114,00000000000000000000000000000000000000100010000000000000000000100100000000010101000101010011000010001100110100010000001011100100110000100100001011011011010110100111010,VLNBFQQMZZNURA-WDSOQIARSA-N
+NC2(CCOCCOC1=CC=C(C=C1)CC#N)CCC(F)(F)CC2,1D1B13C05863EBCB_C5F96FB0F7137752_6039_DP,8.309016,00000000000000000000000000000000000000000110000000000000000000000010000010000000000010110010000001000000100101011100001000000011110011100010001101010001110111110111110,MFBQXOFTLYWNHV-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OCC2CCOCC2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,2407B3D8E9EC94AE_7FAE75F82C92064A_7022_UN,8.308935,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110011011110101000000111010101101011101111110011110110001111011111110111111111110,JWERIOWOXZCABM-FDDCHVKYSA-N
+O(C2(CCC1CO1)CCC2)CC3=NC4=C([N]3CC)C=CC=C4F,DB91871DE1A4508C_C8CD91FB3146133E_6039_UN,8.308827,00000000000100001000001000000000000000100010000000000000010000000110000000010101000101010000000110001100010111011010001011100111110010100110001110011010110111111111110,IIHRTYMACADLGK-UHFFFAOYSA-N
+C1(=CC=C(C=C1)SC2=CC=C(C=C2)C#N)NC4CC3(CNC3)OC4,AD02DFC28EEBBBF0_23DDB69D1A17FDAF_6041_DP,8.308665,00000000100100000000000000000000000000000100000000000000010100001010000000000000011100101011000111001000110001011000000011000100110111010110001001000001110011100111110,SDLTUQDITMWYNI-UHFFFAOYSA-N
+CC(C)(OC1=CC=CC(=C1)CCCN)C2=NN=C3CNCC[N]23,9853DF976252C888_108905FF223406E9_6035_UN,8.308021,00000000000000000000000000000000000000100000000000001000000000000110000000100101101111100011001111101100110010011100001011101111110100000110001111011101110111101111110,BZSCJXUXXLUSNE-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)NC2=C(C=C(C)C=C2)[S](=O)(=O)C)CC#N,60A74CE80E9D56FD_2DE21DEC3A72F612_6041_UN,8.30788,00000000000000000000000000000000000000000100000000010001001111001001000001000000010000001000010001000010000010011100000000001111001001011000011111101111100111111111110,PXJUGPBUVYCAMA-UHFFFAOYSA-N
+N3CCC(C=CC1=C([N](N=C1C)CC2=C(C=CC=C2)Cl)Cl)C3(C)C,42DC072556E5CEBC_77C99BFEC38FA404_7019_DP,8.307611,00000000000000000000000000000000000000000000000000001000000000000110000000110000101100010011001010011001100110011000101011101100000000100110011010011111010110101111010,CQCCYVJJDNJNPQ-UHFFFAOYSA-N
+O[C@H](CCl)C1=CC(=CC=C1)NCC2=C(C=N[N]2C)C3CCC3,EB250945280863CA_F4D0F0707C33DBD6_6041_UN,8.307564,00000000000100000000000000000000000000000000000000001000000000100100000000010001101100000000011010001001100000010000101011101100100111110111001010011011110111101111110,ISKDTJPBFZBKGM-QGZVFWFLSA-N
+O[C@H](CF)C1=CC(=CC=C1)NCC2=C(C=N[N]2C)C3CCC3,CBA631A660E851CA_B97E2CF14BE87081_6041_UN,8.307546,00000000000100000000000000000000000000000010000000001000000000100100000000010001101100000000011010001000100000010000101011101100100111110111001010011011110111101111110,XWUBRGHABUYFQF-QGZVFWFLSA-N
+COC1=C(C=C(C(=C1)C)N[S](C2=CC(=CC(=C2)COC)Cl)(=O)=O)OC,F638BE5104C01843_4A45A4EE84401492_6043_UN,8.307244,00000000000000000000000000000000110000000000000000010001001111001001010011000000010000111000011001000011001101001101010000001111001001111000110111101111110111111111110,BVJHQGQFNJWLSJ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2=CCCCC2)NCC(C)(C)CCC#N,1C8348EDC6743DB0_ADDDD11A67BFB0F3_6041_UN,8.306681,00000000000000000000000000000000000000000100000000100000000000100010000000101000001000000011000000011000000000011001101000000000110001010000001001010101010110101111010,QVDXWOHKCUFDIX-UHFFFAOYSA-N
+O(C1COCC1CC2CC2)CC4COC3=C(C=CC=C3)O4,D9025684BB37F1A1_3BC6BF3296FFF381_6039_UN,8.306662,00000000000000000000001000000000000000000000000000000000010000000000000010000000000100100100000010100100010001000100000010000011110010000110100111110010110101010011110,UOQBPPAOQRTXJT-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(NCC2)C(=O)OCC4=CC3=C(C=C(OC)C=C3)C=C4,3364FBE9C9D9D53B_8D60E1271F288B40_6031_UN,8.306652,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000000001010100101100110001010100001001010111000000000110100111110101111111111111110,NQGUZRUTAVZZIA-UHFFFAOYSA-N
+CC2=C1C(=C(C=CC1=CC=N2)F)NC3CCC(CCC(C)C)C3,AFEEB925D373A22C_D0B13AC7FF3A743B_6041_UN,8.306193,00000000000000000000000000000000000000000010000000000000000000000100000000100000100000010011000010100100110100010001101001000100110001110100011011010111000110101111010,QCNKTWKQFDRQJX-UHFFFAOYSA-N
+CN(C)CC1CCCCC1OCC2=C(C(F)(F)F)C=CC=N2,E35850BBB62B14FA_E311B2EC85CC4FFE_6039_UN,8.306018,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001100000010101101000001111011001001001100011110010100110001111011110110111101111110,OKEQCUXOQAKYDV-UHFFFAOYSA-N
+C1(=CN=C(C=C1)OC2CCCC2)NC(C)(C)CO[Si](C)(C)C,B6B65E166F1ED12D_725CB8A95C3A447C_6041_UN,8.305969,00000000000000000000100000000010000000000000000000000000000000000110000000100001000000100000110110100010100001111101111001001011010011010100011100011101110111111111110,YAJZZWHUBXFQHD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCCCC2)C#N)NCC3(OCCNC3)C,EACC38409CB667E1_D633B953985A9508_6041_DP,8.305294,00000000000000000001000000000000000000000100000000000100010000100010000000000000101000100011000100101000100011011001101011000000110111010110001001010001110111101111110,GMGOEVSNAKOLNP-UHFFFAOYSA-N
+NC2=C1N=CN(C1=CC=C2)CCOC3(CN)CCC(F)(F)CC3,E6B15C052462B62A_E1CECD939C43E092_6034_UN,8.304977,00000000000000000000000000000000000000000010000000000000000000000110000000010101101111010011000110001100010101011000001011100111110111110110001101011001110111100111110,BIJCDQRBCMCTEL-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C(=C1)C#N)NC2=CC3=C(N=C2)OCC3)F,8465954AD093AE6B_D98BB03ED3046F2C_6041_UN,8.304873,00000000000000000000000010000000000000000110000001000000110000010100001100000001100100010001101010100110010101100100011111101100001011110100001011111011010011110111110,PBQQOSBFTLDHNH-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)[N](C=C2)CC3(CC34CCNCC4)CN,E61EED6C1F706E2D_A11695DDE9C4D79B_6034_DP,8.304704,00000000000000000000001000000000000000000000000000000000000000000110000000010000101111110011000010101101110100011000001011100100110100100110001001011001010110100111010,ULBWNNGPLKZWLE-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[N](C=C2)CC3(CC34CCNCC4)CN,5D7FA0B6469617D6_77AFFDE20090FD3D_6034_DP,8.304688,00000000000000000000001000000000000000000010000000000000000000000110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,DKPBBKJHOGMFMP-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)[N](C=C2)CC3(CC34CCNCC4)CN,34842863016B80A3_18170307150D3765_6034_DP,8.304683,00000000000000000000001000000000000000000000001000000000000000000110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,YFHOLVSEZSJCGB-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(SC)C=C2)C#N,6D9AEADA5FFA3DE6_ABC939EA56EAE26D_6041_UN,8.3046665,00000000000000000000000010000000000000100100000001000000100100011100001100000101010000001000111001100010000000100100010101101111001001010100001111101111000011111111110,LLHBNUDKDHBIHA-UHFFFAOYSA-N
+O(C3CNC2=C1C=CC=CC1=CC=C2C3)C5=CC=C(CNCC4N(CC)CCC4)C=C5,F8FDF063D457BBAA_143C5ABC4D5C7717_6035_UN,8.304002,00000000000000000000000000000000000000000000000000000000000000000000000000010001001101100011000110101100010010010110101011100111110110010110001111011011110111101111110,CSMFJPKXGCJTKB-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N2CCCC2=O)NC3=CC(=C(OC)C=C3)[N](=O)=O,35F4A6856CB337AD_9B3A8B8DEB210AB9_6041_UN,8.303874,00000000000000000000000010000000000000000000000001000000100000110000001100010000100101000100111110001010000000110100011101101111011011011100101111111111111011111111110,AQIQVKWBSMNCCH-UHFFFAOYSA-N
+CN(C)[C@@H]1C[C@@H](C1)OC2=CC=C(C=C2)C3NCCCC3,8256D36825C927AE_165493ED8D858691_6035_UN,8.303864,00000000000100000000000000000000000000000000000000000000000000100000000000100000001001100011010001101000100000010100101001100011110011000100001101011101110011101111110,LKXBOSVLWMXSIR-JGHJKYEYSA-N
+CN(C)[C@@H]1C[C@H](C1)OC2=CC=C(C=C2)C3NCCCC3,4A40FD93DD7491BD_7A35A5875188925A_6035_UN,8.303855,00000000000100000000000000000000000000000000000000000000000000100000000000100000001001100011010001101000100000010100101001100011110011000100001101011101110011101111110,LKXBOSVLWMXSIR-SYPQHRIQSA-N
+C(C#CC1=C(C(=CC=C1)Cl)Cl)=CC2=CC(=N[N]2CC)C3CC3,000F258921A99099_A6B581BD6509979A_7019_UN,8.30367,00000000000000000100001000000000000000000000000000001000000000100100000000010000100100010000001010011001000100010010000011101100000000100100001010011010010110101111010,PUCAUJXTNOEYLH-UHFFFAOYSA-N
+O([C@@H]1COC[C@H]1N2CCCC2)C3=C(C)C=CC=C3C5=NC4=C(C=CC(=C4)Cl)[N]5C,C7F2FBEC9FF60EC6_089A742FE4D64BF5_6035_UN,8.303658,00000000000000000000000000000000000000100000000000000000010000100100000010010101000101110100010111001101010101010100001011100111110011100110001111011110110011111111110,GJERDYPMZAZWKH-NHCUHLMSSA-N
+O([C@@H]1COC[C@H]1N2CCCC2)C3=C(C)C=CC=C3C5=NC4=C(C=CC(=C4)F)[N]5C,E7FAA681EC954BFE_3EB74B498B22824D_6035_UN,8.303641,00000000000000000000000000000000000000100010000000000000010000100100000010010101000101110100010111001100010101010100001011100111110011100110001111011110110011111111110,ODWNRKNPFJMQKR-NHCUHLMSSA-N
+COCC1=C(C=CC(=C1)NCC2=C(C=CC(=C2)OC)F)Cl,C86382A66476B685_4FC82698898EFFD5_7022_UN,8.303588,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000110001010000001001000101000101000000000111000001110010000111000111110111111111110,BWQNQLITKFPMAA-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NCC2=C(C=CC(=C2)OC)Br)Cl,9023AAFFDF3F33D3_D40E417D88E0A3DC_7022_UN,8.303586,00000000000000000000000000000000000000000000001000000000000000000000000000000000001000110001010000001001000101000101000000000111000001110010000111000111110111111111110,ARLKBKBMPKDYRM-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NCCC2=C(OC)C=CC3=C2C=CC=C3,A732BAE274E31E4A_E8C151A14DC138FE_6041_UN,8.3033,00000000000000000000000010000000000000100000000001000000100000010100001100000100101000000000011100101110110010010100001101101111001001010100101111111111110111111111110,HVNJNKBSSFSFHS-UHFFFAOYSA-N
+C2(=C1OCCOC1=CC=C2)NC[C@@H]3C[C@@H](CN3CC4=CC=N[N]4C)F,5E8C96A7DA7649A4_7DABBD5EBAB88131_7022_UN,8.3031645,00000000000000000000000000000000000000000010000000001000010000000100000010010001101101110011011111101100010101010100101011101100110011110110001011011011110111111111110,HCNWFUOLJKUPHA-ZFWWWQNUSA-N
+COC2=C1C=CN=CC1=C(C=C2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3,172A4858741CDA80_598465E101057A25_6041_UN,8.302952,00000000000000000000000000000000110000000000000000010001001111001101000001100000111000101000011000101110011000001100010001101111001001011100011111101111110111111111110,ZJDHKVYCGZDFMF-UHFFFAOYSA-N
+COCCOC1=C(C=CC=C1)[S](=O)(=O)NC2=C(C=C(SC)C=C2)I,2AEAE00E01C0D868_F9FD11B35C755F90_6026_UN,8.302454,00000000000000000000000000010000110000000000000000010001001111001001010011000000010000111100011001000010001101001101111000001111001011111010100111111111110111111111110,NBCZXRYUVAOADZ-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)OC(F)(F)F)NCCSCC2=C(C=CC=C2)C#N,DD8A908B497E6E0E_9E810A4D63B2631B_7022_UN,8.302187,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000101101010100001000101100011100001000000111010001110010001111010011110111111111110,RBHUXCSGPAEATR-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)C[C@H](CC)NC4CC5=C(CC4)C=CC=C5,2B650E7C39A3D840_BECD6DD06297F832_6034_UN,8.302179,00000000000000000000000000000000000000000000001000000000000000000100000000010001101101110011000010101100110100010010101011100100110101100110001011011001010110101111010,IXWZAHBFVYLHTE-BGERDNNASA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)C[C@H](CC)NC4CC5=C(CC4)C=CC=C5,2E718D539F17C4FC_4DD2386484C4D1BC_6034_UN,8.302173,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101110011000010101101110100010010101011100100110101100110001011011001010110101111010,YDUVKIFNOHGLJN-BGERDNNASA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)C[C@H](CC)NC4CC5=C(CC4)C=CC=C5,B45475B41A9C562A_507237079E042994_6034_UN,8.302165,00000000000000000000000000000000000000000010000000000000000000000100000000010001101101110011000010101100110100010010101011100100110101100110001011011001010110101111010,CHHUDCJXNIWALO-BGERDNNASA-N
+COC(OC)C(OCCC1(CCNCC1)C#N)C(F)(F)F,ADFE8C19E44D2689_00E5FDE7AAB3E25F_6039_DP,8.302088,00000000000000000000000000000000000000000110000000000000000000000010000010000000001000100001010000101000101101011000001001010010110010100110001000110101110101111101110,KAQSXCOZQARGKB-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=NC=C(C=C1)NCC2C3CCCCC23,2C82F91B3A3DD9DA_59F2A6B5ED27AFE6_6041_UN,8.301849,00000000000000000101101000000010000000000000000000000000000000000100000000100001001000100001010000101000010000001000001001000000110001010100011001011101010110101111010,RWUNTGVZWXJIFQ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)C[C@H](CC)NC4CC5=C(CC4)C=CC=C5,9F4CA7CB96441ED1_89D027BE13501A2D_6034_UN,8.3014965,00000000000000000001000000000000000000000010000000000000000000000100000000010001101101110011000010001100110100010010101011100100110101100110001011011001010110101111010,MNDRAYTZRNPIDX-HMTLIYDFSA-N
+COC(CC(C)(OC1=CC2=C(C=C1)CNC2)C(F)(F)F)OC,A3CB1C158021434C_7BDDAC7A09F087A3_6035_UN,8.301133,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100100101010010001100011100001101100001010011010010100110010110100101110101111111110,RTKBTJPNDBSAGA-UHFFFAOYSA-N
+FC1=CC=C(C=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C,C0F084164C8C596A_050AFEF196B34E5F_6041_UN,8.301003,00000000000000000000000000000000000000000010000000000000000000100000000000010000101101110011010010001000000110010101101001100111110001110110001101011111110111101111110,GATLVKNYFDIDDU-DNVCBOLYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NC2=CC=NC(=C2OC)F,5B7D9F5C85BEBA05_A2036292839F4CFA_7022_UN,8.300585,00000000000000000000000000001000000000000010000000000000000000000110000000100000100000110001010100100000000101001101000001010111000001110100011111100111110111111111110,HNNZTYJFZFYVMA-UHFFFAOYSA-N
+C1(=C(C=CC=C1C#N)C#N)NCC2CNCC(C2)(C)C,1E563DDF2225C09A_7E21EE965DA867BF_6041_DP,8.300567,00000000000000000000000000000000000000000100000000000100000000000010000000100000101000100010000000101000000010001001000001000000100101010110001011000111010110101111010,RCDUFOUNHUCKQI-UHFFFAOYSA-N
+O(CCCN1CCOCCC1)CC#CC2=CC(=CC(=C2)F)C#N,2C1B0601B470D2D3_1B0037F9776A7371_6039_UN,8.300439,00000000000000000101000000000000000000000110000000000000010000000000000000010000000001110000000101001000000101010000001011100010110010100110001000011000010101110111110,UHJZJAVRQLEQAL-UHFFFAOYSA-N
+CC2=C1N(C=C(C1=CC=C2)CC#N)CC34C(C3)CNC4,E9784BE89FAD74AB_45D9104F21234301_6034_UN,8.30012,00000000000000000000001000000000000000000100000000000000000000000110000000010000101101100011000010101100010010011000000011100100110000000110001001001001010110101111010,ZNDOQXJHLVLJRC-UHFFFAOYSA-N
+FC2=C(C=C1C=COC1=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,35575EE9CF502CB9_F1DC12513B621B47_6041_UN,8.2998905,00000000000000000000100000000010000000000010000000000000010000000000000000100000000100110000010010000110010101001000100000001110000001110100010011001111110111111111110,WVAGMPBWGIHFEI-UHFFFAOYSA-N
+N1CCC2(C1)CCN(CC2)C3=NC(=CN=C3)NC4=CC(=C(C(=C4)F)N5CCCC5)F,C4F20012AAF848E4_F09BD9EAB1939691_6041_DP,8.299853,00000000000000000000000000000000000000100010000000000000000000100110000000010101101101110011000010101000110100011000001011100100110101110110001011011011010010100111010,XWMALAWEVDHBHC-UHFFFAOYSA-N
+CC(N)(COC1=CC=C(C=C1)C2CCNCC2)CC(F)F,66401032FCEB649C_4123F9B271AE2BA9_6035_UN,8.299566,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010100001000100101000100101011101001001000011110100100110001101010001110111101111110,ZYGLDXNIPOILCV-UHFFFAOYSA-N
+C1(=NC=C(S1)C2OCCO2)NC3=CC=C(CO[Si](C)(C)C)C=C3,190AB5A43A5A0863_3D3C2434C06B8203_6041_UN,8.299553,00000000000000000000100000000010000010000000000100000000010000100100000010100100010100101000010011000010001001001000101011011110000011010110011000111101010111111111110,UJSATBJRRRIBCF-UHFFFAOYSA-N
+CC1=C(N=C(N1CC2CCN(CC(F)F)CC2)C3CCCN3)C4=CC=CC=C4,4E49C71058978900_FC6DE857467B8FD7_6034_UN,8.299524,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101100011000010101000100100010000101011100100110000100110001011011011010110101111010,CQQHHQNBGMBSDH-UHFFFAOYSA-N
+C1NCCC(C1)C2=C3C(=CC=C2)N(C=C3)CC(CC4=CC(=C(C)C=C4)Br)CN,3BE9EF2986CC5769_E7F678D83EB0C1AB_6034_UN,8.299454,00000000000000000000000000000000000000000000001000000000000000100100000000010000101111110011000010101100110100010000001011100100110100100110001011011011010110101111010,SMTGXSPUNUTJJG-UHFFFAOYSA-N
+CC2=C1N(C=CC1=C(C=C2)F)CCOC3(CN)CCC(F)(F)CC3,122BD074D683BDBB_EA5287B93E37BEF9_6034_UN,8.298961,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111010011000110001100010111011000001001100111110010100110001101011001110111101111110,BFHMFBPQEBTKKL-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)C=NC=C2)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,16E06E9360216F34_26781690688DDF4F_6029_UN,8.298785,00000000000000000000000000000000110000000100000000010001001111001101010001100000110001101000011001100110011000001000010001101100001001011100001011001111000010111111110,WJAWQVIWNGXXLY-UHFFFAOYSA-N
+C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC(=C(C=C3)F)SC,145CFA23491E53C6_9F30F74394DF8334_6004_UN,8.298598,00000000000000000000000000000000000010000010000000000000010100101000000000010001011101111001010110101000100101010000001011100100110010100110001011011011010101101111110,ZXRBIUGFNUOBRY-UHFFFAOYSA-N
+CC1=C(N=C(S1)NCC2(OC)CCCC(C)(C)CC2)C3=CC=C(C=C3)F,143CB91CCE22EAA7_D70D14E6479B7894_6041_UN,8.2983055,00000000000000000001000000000000000010000010000100000000000000100110000000100100011100011011010110001000001110001001101011000111110011110100011110010111110111101111110,PFYXLGMANYFZDM-UHFFFAOYSA-N
+COC2=C1C=CN(C(C1=CC=C2)=O)CC4C(C3=CC=C(OC)C=C3)N(CCC4)C,AF9DF4CAD691AFE8_16FCBB5249A202BF_6034_UN,8.298291,00000000000000000000000000000000000000000000000000000000000000100100000000010000100001100000110000101100010010110101111011100111110000000110011111111110111111111111110,ZYBAVONTUBZZFS-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)NCC2=C(C=N[N]2C)C3CCC3)Cl)C4CC4,F9034C351E4FF896_08EC343C0584A728_7022_UN,8.298282,00000000000100000000001000000000000000000000000000001000000000100100000000010001101100010000011010001001000110010000101011101100100001110100001010011111010110101111010,SYEQMBNSJPISEP-UHFFFAOYSA-N
+NCC(COC1=CC(=C(C)C=C1C2CNCC2)Cl)C3CCC3,EB0AD9C8C5109C11_3D4A5DB8A1E84F96_6035_UN,8.297719,00000000000100000000000000000000000000000000000000000000000000100000000000000000001110110011000011001001100101010100001001000011110100100110001110010011110101101111110,TUSQPKXRGFEPOK-UHFFFAOYSA-N
+COCCOC1CCN(CC1)[S](C2=CC3=C(C=C2)CC4=C3C=CC=C4)(=O)=O,2D3E21BFC8CDBAC2_E6241D7B66ABA40B_6029_UN,8.297201,00000000000000000000000000000000110000000000000000010001001111001001000011010000010000101000011011101110011001011001111001101111111010001110100111111000110111111111110,UPQGIHSVIKFSLY-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=C(C=CC=C1F)CC=C)C[C@H]2C3=CN=CC=C3,FBC5A7D438E3053C_C64DB02E31EA4FC2_6035_UN,8.29698,00000000000100000000000000000000001000000010000000000000000000100110000000100000000000010000000000110000000100001100100001000111000010100100000111000110100101001111110,AIDDDZBCAIKYLE-WMZOPIPTSA-N
+O(CC1=C(C=CC(=C1)C2=CN=CC=C2)F)CCOC3(CCOCC3)C#N,ADB40BDD9CF680D4_0563AA2BA6181B8B_6039_UN,8.296869,00000000000000000000000000000000000000000110000000000000010000100110000010000000000000110100000100100000000101001000001011000111110010100110001111110010110101010111110,VXUKQGOYKVKYRX-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)N(OC)CC2=C(C=CC=C2)OC)CN(C)C,18EA62580C58B62F_8DA41BFF3ED6CE4D_7022_UN,8.296462,00000000000001000000000010000000000000000000000000000000000000000000000100100000100001100000011001001010000010000101100000101111100011010010011111101110110111111111110,DPJOAQNJAKMNRN-UHFFFAOYSA-N
+C[C@@H](OCCC1CCCNCC1)C2=CC3=C(C=C2)CCCC3,56E809B2776D92B3_E1A650E2383200CB_6039_DP,8.296025,00000000000000000001000000000000000000000000000000000000000000000000000000000000001000100011000000001100110011010000101001000010110010000110000011010001110101101111110,RIPKGMAUHFFBMY-TZHYSIJRSA-N
+N(C1=CC2=C(C=C1)N=CC=C2)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,9AFA319798966221_6C6D1D80148EF74B_6029_UN,8.296,00000000000000000000000000000000110000000100000000010001001111001101010001100000110001101000011001100110011000001000010001101100001001011100001011001111000010111111110,QYWPNCJSNYHTBH-UHFFFAOYSA-N
+C2(=C1OCCCOC1=CC(=C2)CC#N)NCC3(CCCNC3)C,EDD0445B87F9F965_FDE7BD8903219180_6041_DP,8.295651,00000000000000000001000000000000000000000100000000000100010000000010000010000000101000100111000101101100110011011101101011000000110111010110001011010001110111111111110,UARMZWHEIVPYPI-UHFFFAOYSA-N
+N(CCC1=CC2=C(C=C1)OCC2)C(C3=CC=C(CSC)C=C3)=O,D8138BC7867424FA_F5E3661AA1C23F1E_6038_UN,8.29559,00000000000000000000000000000000000000000000000000000000010000000000000000000000001100101000110010001100110001110101011000000100100010000110000011010001111111111111110,DUWUNFCMVWHGLQ-UHFFFAOYSA-N
+N1CCOC(C1)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)C#N)F,368336E3063C7770_44B3A5826186862B_6041_DP,8.29497,00000000000000000000000000000000000000000110000000000000010000100000000000000000001000110001000100101000100101010000001011000100110111110110001011010011110111100111110,MLBYQDQUWVIFQZ-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)CN=C=O)NCCC2=CC(=C(OC)C=C2)[N](=O)=O,F6E714ABC850A230_049DA7D6BCB00B6C_6041_UN,8.294955,00000000000000000000000010000000000000000010000001000000100000010000001100000010001000010100011100001010100100110100011100101111001001111010101111111011111111111111110,JFXRLJVDKDXLRG-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=CC(=C1)C#N)NC3=CC2=C(C(N(C)C)CC2)C=C3,BD36555D3B21E3E0_8C94BB4EB94379DB_6041_UN,8.294755,00000000000000000000000010000000000000100100000001000000100000010100001100100101100001100001011011100110010010010000101101101100001001010100001011011111000010111111110,NFHAMKHPUHIZQV-UHFFFAOYSA-N
+COC2(C[C@@H]3CC(COC1=C(N)C=CC(=N1)Br)C[C@H]23)OC,07F6DA550A266298_754AE4E54AACEFA5_6035_UN,8.294712,00000000000100000001000000000000000000000000001000000000000000000100000000000001000010010001110110100000010111101100110001010011110011110100001110100111110111111111110,VSRATPZFPKOSAV-DVRYWGNFSA-N
+COC1(CC3(C1)CNCC(OC2=C(C=CC(=C2)C)N)C3)OC,FDFCCBCC04B6C62B_43F10953885C0480_6035_DP,8.294397,00000000000100000000000000000000000000000000000000000000000000000010000000000000001010100010010100101000010000001100100001010011100111010110011111100111110011111111110,CKMQHXVCBHHNRA-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=C(C=CC(=C3)SC)Br,2119537B7B6B551E_AE6487184CC87EAF_6035_UN,8.294252,00000000000000000000000000000000000000000000001000000000000100101010000000000000011100111011010111001000100100011100001001000111010010100110000111010111110001101111110,ANSGWAOVUKMDCI-UHFFFAOYSA-N
+O(C3CCN(CC1CCCC2=C1C=CC=C2)CC3)CC4=CN=C(C)S4,FCBE4535D03F2909_25F16AF6699FC2FF_6039_UN,8.294222,00000000000000000000000000000000000010000000000100000000000000000100000000010000010101101000000011101100010011010000001011100111110010000110001111011000110111101111110,XAPCUPBTSGLMFJ-UHFFFAOYSA-N
+C[C@H]3CC(OC1=C(C=NC2=C(C)C=C(C=C12)Br)C#N)C[C@@H](C)N3,6F79EAD188E915D3_E30DD34E86354B3A_6035_UN,8.294079,00000000000000000000000000000000000000000100001000000000000000000100000000000000100000010001000001100100110110010101000011000111100010100100011111000111100011101111110,CAFBWEXVUAMZEJ-ODOQXGPZSA-N
+N1CC2CCC1CN2C3=CC=C(C=C3)NCC4=CC(=C(C=C4)C#N)F,6A5106FCC5DDDD19_9F6ECFC98F2B9693_6041_DP,8.294028,00000000000000000000000000000000000000000110000000000000000000100000000000010001001001010011000000101000110100010000001011100100110101110110001011011011010110100111010,WWDWJOZSXFTUEP-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)C(F)(F)F)N[C@@H]2C[C@H]3CN[C@@H]2C3,7B9E70EEED97FCC2_A7D9D40E57B272B7_7022_DP,8.293985,00000000000000000000000000000000000000000010000000000010000000000000000000000001001100000011010110101000111100011100000001000011110101110100001111000011110011101111110,GZIPTJXMLRWCEH-XXILOJSOSA-N
+COC1=C(C=C(C(=C1)NCCC2=CC=CC(=N2)C)[N](=O)=O)C,F30170D512FB6087_1BF81F6EDEB0FAEE_6041_UN,8.2939,00000000000000000000000010000000000000000000000001000000100000010100001100000001101000000000011001101010100010010100001101101111001001010100011111111111110111111111110,YHKHLSXPISUZHA-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)C#N)NCCCSC[Si](C)(C)C,844E580F6D486FFA_10AA4914DFF85E47_6041_UN,8.293742,00000000000000000000100000001010000000000100000000000000000000000100000000100000101000101010010000101100110010011001001001000100110001010110011001011101010110101111010,HFPSPYHNRBCGFL-UHFFFAOYSA-N
+COC2=CC(=C1OCC(C1=C2)OC3=CC=C(C=C3)C4=CCNCC4)Br,C6A265B10C3FB51A_367BBC88323E4F9B_6035_UN,8.293738,00000000000000000000000000000000000000000000001000100000010000100000000010001000001100110101010010111100110101010100001011000111110010100110000111110001110001111111110,YBZOYFOBOQGJHA-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@@H](CC1)OC3=C2N=CC(=CC2=CC=C3)Br,BDA055632C96658F_58D8F943FFA016AC_6035_UN,8.293738,00000000000000000000000000000000000000000000001000000000000000000100000000100000000001110000010111100100010110010100101001100111010011100100001101011100100011101111110,YFLXJODXBFYNPE-ZIAGYGMSSA-N
+COC2CNC(C)(COCCCC1(CCOCC1)C#N)C2,4DE5F44E945C1FD6_892368D2AAD3C797_6039_DP,8.293687,00000000000000000000000000000000000000000100000000000000010000000010000000000000001100100011010111101000100011011001101011000011110010000110001100110101110111111101110,JPGTZJDLNRKFNE-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NC3CCOC34CCOCC4,0998ED62142340A1_C3B51D933AEF6C22_7022_UN,8.293618,00000000000000000000000000000000000000000000001000000000010000000010000000000000000100110111000111100100110101011000001010000100110011110110000011010011110011110111110,KWOQZTQSYSJMGL-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CCOC34CCOCC4,709836DF8F992358_935555A5D1640854_7022_UN,8.29361,00000000000000000000000000000000000000000000000000000000010000000010000000000000000100110111000111100101110101011000001010000100110011110110000011010011110011110111110,CPAJUFLARYKZGC-UHFFFAOYSA-N
+O([C@@H](CC#N)C1=CC=CC=C1)C2=C(C=CC=C2Cl)N3CCNCC3,CCEFBAF6F6E51787_605505E7093D617A_6035_UN,8.292736,00000000000000000000000000000000000000000100000000000000000000100000000000010001001001110001000101101001100100010100001011100111110011110110001111011011110111100111110,GRIVJEZLAPVPDN-SFHVURJKSA-N
+C2(=C1CCC[N]1N=C2)NC3=CC=C(CO[Si](C)(C)C)C=C3,8FE3109B0AAAEB3D_EA4361DB06398555_6041_UN,8.292731,00000000000000000000100000000010000000000000000000001000000000000100000000100001100100100011011010001110010001011000101011101110011001010110011010011101010111101111110,UFVOSPMPCZDJMX-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)F)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F,700F58A36F12FE06_0E27EED83FD3CA11_6041_UN,8.2914715,00000000000000000000000000000000000000100010000000000000000000100100000000010101100101110011010110101000100110010101101011100111000001110100001111011111110011101111110,LKPFBWOBAKPYKQ-CJNGLKHVSA-N
+CC1=C(C=C(C=C1)C2=NNC(=O)N2CC3(F)CNCC34CCC4)N,BAD6282A1C6DE645_2E2595DAC461333F_6034_UN,8.291406,00000000000100000000000000000000000001100010000000001000000000100110010000010101101111110011001111001000011100101100011011101101110101110110001110011011011110101111110,VPLNHUMLLMQVQR-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)CC#N)NC2=CC=C(OCC[S](C)(=O)=O)C=C2,A69F158928DFDE48_11B40D6A37E33C2E_6041_UN,8.291037,00000000000000000000000000000000000000000100000000010001001011000001000001000000000000101100010000000010000011011101101000001111001011011010001111111111110111111111110,XRHPJVBUQFCVTB-UHFFFAOYSA-N
+N(C1=C(C=C(C(=C1)F)Cl)N2CCOCC2)C(=O)C4=C3C=C[NH]C3=CN=C4,0AA407841B4A4205_D6682A4A13C7021B_6038_UN,8.291027,00000000000000000000000000000000000000000010000000000000010000100100000000010001100101110001100111101101010101110000011011100100110111110110001011011011011011110111110,RFMDQIKDMCFJDB-UHFFFAOYSA-N
+N(C1=C(C=C(C(=C1)Br)F)N2CCOCC2)C(=O)C4=C3C=C[NH]C3=CN=C4,CCC44EEA21B44A19_66A6D4D4A0F6EE95_6038_UN,8.291012,00000000000000000000000000000000000000000010001000000000010000100100000000010001100101110001100111101100010101110000011011100100110111110110001011011011011011110111110,NNZFSLQHCPBXTE-UHFFFAOYSA-N
+N(C1=C(C=C(C(=C1)F)F)N2CCOCC2)C(=O)C4=C3C=C[NH]C3=CN=C4,9315D4AB2D38B7D8_253B0541058F248D_6038_UN,8.2909975,00000000000000000000000000000000000000000010000000000000010000100100000000010001100101110001100111101100010101110000011011100100110111110110001011011011011011110111110,GVFGHHOSSMODBJ-UHFFFAOYSA-N
+O(C1CCCC2=C1C=C[NH]2)CC3OCCN(CC(C)C)C3,D4374167A4589079_6B79E9BB2B8FCFCC_6039_UN,8.290864,00000000000000000000000000000000000000000000000000000000010000000100000010110000000101100011000111101100110011010001001011100011110010000110001111011101110111111111110,KPALMQXTRWPWPU-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C=CO2)NCCC3=CC=C([Si](C)(C)C)C=C3,8FFD7E925165BB1A_5B866A5DA2E8E35A_6041_UN,8.290627,00000000000000000000100000000010000000000010000000000000010000000000000000100000001100110000010110001100110100011000001000000100000001110100010011011111110110101111110,NKUDEHQHWFZTAJ-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NCCC(OCC)C2CCCC2,06ADED875DD5011C_30439ED4A7F604E8_6041_UN,8.290483,00000000000000000100100000000010000000100000000000000000000000000100000000100100001000100000010011101000100011011010001001000010110011010110011000011101110111101111110,LNHSQVKRGFEEBN-UHFFFAOYSA-N
+C1(=C(C=CC=C1)OC2=NC=CC(=C2)C#N)NC(COC)(C)C#N,8D51A588A5DFFD75_0F5D573F82C451E1_6041_UN,8.290417,00000000000000000000000000000000000000000100000000000000000000000110000000000001000000100000110101100000100001111101010001000111000001010100001111000111110111111111110,DJGVTOPPYSPQLV-UHFFFAOYSA-N
+N(CC1=CC(=CC=C1)CN2CCOCC2)[S](C3=CC4=C(C=C3)C=CN=C4C#N)(=O)=O,61409DAA1E90333D_AB93397C922A98B0_6029_UN,8.290001,00000000000000000000000000000000110000000100000000010001011111001101010001010001011001101000001100101110011001011000011011101100111010001110001001111001010111110111110,GJCCODNCSWEGSZ-UHFFFAOYSA-N
+C(C1=C(C=NC=C1)C#N)=CCC2(N)CCC(F)(F)CC2,D60A7AED24358855_09604A51BBD60A52_7019_DP,8.289689,00000000000000000000000000000000000000000110000000000000000000000110000000000000100010010010000000110000100100011000001001000000110001100100001011010011000110100111010,VDQVWTBETZXZHO-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC34C(OCC3)CCCCC4,B23348330892E7A0_D80F6712F506282A_6041_UN,8.289467,00000000000000000001000000000000000000000010000000000000010000000110000000000000000100010011000111100100110101011000001011000100110011110100001001010001110011100111110,DQJFLWRMQGHZTH-UHFFFAOYSA-N
+C1CC(CNC1)C2=CN(C3=C2C=CC=C3)CC(CN)(F)C4=CC=CC=C4,09A167F01873010C_5B9B29794C297CF6_6034_UN,8.289303,00000000000000000000000000000000000000000010000000000000000000100110000000010000101111100011000010101100110100011000001011100100110100100110001001011001010110100111010,NAADFRZYACCEPU-UHFFFAOYSA-N
+COC[C@@H]1NC[C@@H](C1)OC2=C(C=CC(=C2)C(C)(C)C)I,9EAA3E63E6C17417_5579C64A80753586_6035_UN,8.289174,00000000000000000000000000010000000000000000000000000000000000000010000000100000001100110011010111001000100111011101000001000011110010100110010110000111110111111111110,LVWUZCAYVWIQMD-CHWSQXEVSA-N
+CC1=C(C=C(C=C1)[N](=O)=O)NC2=C(OCCOC)N=CC=C2,FEFC264A1100088A_8D6D74360314B667_6041_UN,8.288738,00000000000000000000000010000000000000000000000001000000100000010100001110000001100000100001111100100010000001100101111101101111001011010110101111111111010111111111110,ZPUAPWQLMNGMLT-UHFFFAOYSA-N
+CN1CCC(CC1)OC2=CC(=NC=C2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=CC=C4,EE1772DE3CADCF61_72ADCF286ACB19FA_6041_UN,8.288358,00000000000000000000000000000000000000100000000000000000010000100100000000010100101001100001010101101000000011010111101011100111110011010110001101011111110111111111110,HYNGWWVHXBXSPE-UPVQGACJSA-N
+CC3(C)C(OCC2OCC1(CCNC1)C2)CCN3CC4=CC=CC=C4,6C8FF6466C3EC6AA_D75CA77C584C7E46_6039_DP,8.288279,00000000000000000000000000000000000000000000000000000000010000000010000010110000001101100011000111001000110011011000101011100011110010000110001100011111110111111111110,KBXWMWDZNCXTNI-UHFFFAOYSA-N
+C1CC(NC1)C3=NC2=C(C=CC=C2)N3CC4(CNCC4)F,5A7791F02ED99F3F_000FF43E8C186751_6034_UN,8.288245,00000000000000000000000000000000000000100010000000000000000000100110000000010101101101110011000010001100110100011000001011100100110100100110001010011011010110100111010,OAMVAWDPANMHAH-UHFFFAOYSA-N
+O(C2=C1N=C(C=CC1=CC=C2)N3CCCCC3)CC4=C([N](=O)=O)C=CC=C4F,128D139E45D4410F_6D327971FF6C6D05_6039_UN,8.28823,00000000000000000000000010000000000000100010000001000000100000110100001100010100000001110000001101101110010101010100001111101111111001110110001111111010110111110111110,LTSHGLYUMSUECL-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NC[C@@H]2OCCN(C)[C@H]2C3=C[N](N=C3)C)F,10248EFD29085F5E_0159EFA53E1F6292_6041_UN,8.288064,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101000000111010101101011101111110011110110011111011111110111111111110,FRHROGBFTILIJD-IRXDYDNUSA-N
+CN(C)CC1(CNCC1)OC2=C(C)C=C(C=C2)CC(F)(F)F,223361C4816E14F0_64F466EF5A6309F9_6035_UN,8.287988,00000000000000000000000000000000000000000010000000000000000000000010000000100000101101100011010111001000101110011101001001100011110010100110011110011111110101101111110,CKGMRSASUYQBMJ-UHFFFAOYSA-N
+C[C@H](OCC2OCC1(CCNCC1)C2)C3=C(C=CC(=C3)C)C,0B6303E9F85A4D5C_D7D3C48B342D7BC5_6039_DP,8.287946,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100001000010101000110001011000101011000010110010000110010011010111110101111111110,AOGGKFPQWMNTHV-BHWOMJMDSA-N
+CN(C)[C@@H]1CCCC[C@@H]1COC2=C(C=CC=C2)CC3CCNCC3,2393372ED96992B0_A89B0A817BB5A21F_6035_UN,8.287618,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010001101000100011010100101001100011110001000110001111011111110111101111110,FSORVAQKBASEGP-WOJBJXKFSA-N
+CC1(C)CCC2=C1N=C(C(=C2)C#N)NCC(C)(C)C3=CN=CC=C3,7607BFBA30054753_45C74499B13EDA1C_6041_UN,8.287611,00000000000000000000000000000000000000100100000000000000000000000110000000100100101000000000000010101100010010001001101011000100000001010100011011010111010110101111010,HKHVRQTYOLDTKZ-UHFFFAOYSA-N
+CN(C)C(C)(CC=C)C(=O)OC[C@H]2N[C@H]1CCCC[C@H]1C2,AC2D73A3352CCDC0_6A1412EE520DF9BA_6031_UN,8.287513,00000000000000000000000000000000001000000000000000000000000000000010000000100000000101100011010110010100110011011001101001110010110000000100011000011101011111111101110,YEFIYSGNAARBMZ-CKSGOKGCSA-N
+COC2=C(C=C1C=C(C=CC1=C2)COC3=CC4=C(C(=C3)[N](=O)=O)C=N[NH]4)OC,126C2A84BE594453_36B2CFC5AE020AD8_6035_UN,8.287381,00000000000000000000000010000000000000000000000001001000100000010100011110000000100100000000011011000110010001000100000111101111001001010100101111101111110111111111110,VCQUGIXCJMDFAO-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OC2=C1CNCCC1=C(C=C2)F)CN3,AE116B2D3C5B7047_41E6EB30056C9A11_6035_DP,8.287339,00000000100100000000000000000000000000000010000000000000000000000000000000000000001000110011010101101100110101010101101011000011110110100110001111010011110111111111110,VTIUNXVUXXPDAO-UKRRQHHQSA-N
+NC[C@H](OC1=CC(=CC=C1)CN2CCNCC2)C(F)(F)F,D74284050DB51E5E_3D380D5D3A198C02_6035_UN,8.28727,00000000000000000000000000000000000000000010000000000000000000000000000000010001001011100001000100101000101100011100001011100011110110100110001101011001110101100111110,HFVAZPOKIZMIQX-ZDUSSCGKSA-N
+C[C@H](OC1=CC(=CC(=C1)F)C2CCCNC2)C[N]3C=NC=C3,65194C893DC91FB8_6626FCC4B613923F_6035_UN,8.28667,00000000000000000000000000000000000000000010000000000000000000100100000000010101001101110011000110101000100100010101001011100111110010100110001101011001110101101111110,AUJBIMNXVQPYEG-LSLKUGRBSA-N
+COC1=NC2=C(C=C1)N(C=C2)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,E177D32355981858_FA5856126E245141_6034_UN,8.286359,00000000000000000000000010000000000000000000000001000000100000010100001100110001100101100000111010101110010010100100010111101111001001010100011111101110010111111111110,AWSKHUICCZDYNQ-UHFFFAOYSA-N
+COC1(CNCCC1)COC2=C(C=C(C=C2)Br)C(F)(F)F,9BC2C63295CF033F_3D85EC187F5842FB_6035_UN,8.28608,00000000000000000000000000000000000000000010001000000000000000000010000010000000001000110011010101101000101111011100101001000011110010100110000111010011110101111111110,XTTCFHGTBVCSJD-UHFFFAOYSA-N
+COC1(CNCCC1)COC2=C(C=C(C=C2)Cl)C(F)(F)F,74296882E82F8FB1_8119A28AA3038BB7_6035_UN,8.286074,00000000000000000000000000000000000000000010000000000000000000000010000010000000001000110011010101101001101111011100101001000011110010100110000111010011110101111111110,UDICOVGSYXIXNT-UHFFFAOYSA-N
+CC4(C)CC(OCC1CNCC2(O1)CCC2)C3=C(C=CC=C3)O4,2250875FB72993E5_4E056AFFB2CC2F4B_6039_DP,8.285816,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000100111000101101100010001001101001011000011110010000110000111110101110101111111110,AMLUAKDAHVFFST-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)NCC(C2CNC2)F)C#N,2BA40CFDD277D1CE_D2859E7A936FB703_6041_DP,8.285745,00000000100100000000000000001000000000000110000000000000000000000000000000000000001000100011010001001000000101000101000001010011010101110110001110000011110111111111110,BHKWMVUNXSCMJZ-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CC4(CNCCC4)F,660ED8060FF38997_7BCCEE7B4F8FB284_6034_UN,8.284902,00000000000000000000000000000000000000000010000000100000000000100110000000011000101101110011010010111100110100011100001011100111110100100110001101011001110111101111110,WJOFUOKXHMJDNO-UHFFFAOYSA-N
+C(C2COC1(CCOCC1)O2)=CC3=C(C=C(N(C)C)C=C3)C(F)(F)F,0A7EB5C155F462ED_3618EEE9C9D1E42B_7019_UN,8.284325,00000000000000000000000000000000000000000010000000000000010000000000000010100000000101100100010010110000011101001000001010110000110011110110000011111110110011111111110,ASTQJANWSVHFGS-UHFFFAOYSA-N
+COCC3(C=CCC1(CCNCC1)C#N)CC2OC2C3,76C9A6B48D5E6382_5D51D8A27A9B7E59_7019_DP,8.284032,00000000000000001000001000000000000000000100000000000000010000000010000000000000001000100001010010111000110011011001001011000010110010000110001001010001110101111101110,WRPBBLHWMJTAFL-UHFFFAOYSA-N
+CCN4CCC1=C(C(=CC(=C1)NCC2=NC3=C([N]2C)C=CC(=C3)F)F)C4,B21545C67AC649EC_FEE63FE0504F7B1B_6041_UN,8.283773,00000000000000000000000000000000000000100010000000000000000000000100000000010101001101110001010010101100010110010010101011100100110001110110001011011111010110101111010,RQLRHMRXZKYSAE-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CCOCC2)C#N)NCC3=CSC(=N3)COC,AFC21F237F70C627_BB885512356DDF89_6041_UN,8.283688,00000000000000000000000000000000000010000100000100000000010000100110000000000001011100101000010110101000000001011001001011000110110011010110001001010001010111111111110,MQDOGJOIXHRQDQ-UHFFFAOYSA-N
+COCOC1=CC(=CC(=C1)F)NCCCCN2CCCNCC2,FF5FD991875CBF0F_319CF36934E76711_6041_DP,8.283643,00000000000000000001000000001000000000000010000000000000000000000000000000010001101001110011010001001000100101010101001011110011110101110110001100011001110111111111110,NYQZKJSSYZDUEQ-UHFFFAOYSA-N
+COCC1=C(C=C(C=C1)N[S](C2=C(C=CC(=C2)OC)C)(=O)=O)C#N,6FA7FDD8438C2A7E_C26E9353304B3946_6043_UN,8.283552,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000101000011000000010001001001101010000001111001001011000111111101111110111111111110,QHKUSWVFAOSSDF-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C2(CCNCC2)OC3=CC=CC(=C3)SC,106F4BF9CF2F0323_24B543C58493E930_6035_UN,8.283344,00000000000000000000000000000000000000000000000000000000000100101010000000000000011000101001010001101000100010011100001001000111110010000110000111010111110001101111110,YDGYODMKWSOHCV-UHFFFAOYSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)NCC3=NC=C([S](C)(=O)=O)C=C3,E757C7C495AA1A28_271F25C5F3759AC8_7022_UN,8.283215,00000000000000000000000000001000000000000000000000010001001111001101000001000001011000101001010101101110010001011101000001011111001001011110101111101111110111111111110,NVYGRMWZTQAGPP-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NC4C(C)(CC4)C,98618D3AEC292517_C57C6219BA43D13A_6041_UN,8.283139,00000000000100000001000000000000000000000000000000000000010000000010000000110000000001100111000101101100110001011101101011100011110011010110001111111111110111111111110,BJNOQKDMIGVTNE-UHFFFAOYSA-N
+COC(=O)C1=CC3=C(C(=C1)NCC2=C(OC)C=CC(=C2)[N](=O)=O)[NH]C=C3,BBD7B6DB0B0FCFFD_F10C688EE7F45AFD_6041_UN,8.283097,00000000000000000000000010000000000000000000000001000010100000010100001100000001001100000001011011001110010010000100000101111111001101011100101111101111111111111111110,BJTKKVJATBIMSJ-UHFFFAOYSA-N
+C[N]1C=C(CC#N)C2=C1C=C(C=C2)NC3CCC(C)(C)C=C3,30F10673ECA7B885_9A3BF8317D96537F_6041_UN,8.283085,00000000000000000000000000000000000000000100000000000000000000000110000000110000100101000010010010010100110010011001101001100100000001010100011001011101000110101111010,CECZWHGSWSMRKZ-UHFFFAOYSA-N
+O[C@H](CCl)C1=CC=C(C=C1)NCC(C)(C)C2OCCC2,35593CD3AE8FA098_A6FB6D8384885D71_6041_UN,8.282842,00000000000000000000000000000000000000000000000000000000010000000010000000100000001100000001000011001001100011001001101000000000110111110111000000010101110111111111110,UBYFGHPEFIQPAW-GICMACPYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=C(C=C2)Br)NCCC3=CC(=C(C=C3)C#N)C,9448BA09EA108066_406B6F38AE346541_6026_UN,8.282838,00000000000000000000000000000000110000000100001000010101001111001101010001000000111100011000001011001110111110011000011001001100001100101100001011011011010110111111110,YALPOAGETJXEAE-UHFFFAOYSA-N
+CC5(C)COC4(C[C@@H]3CC(OCC1=CSC(=N1)C2=C(F)C=CC=C2)C[C@@H]3C4)OC5,19851CB22B20D961_F81049E21F649527_6039_UN,8.282703,00000000000000000000000000000000000010000010000100000000010000100110000000100000010100011100000110100100010101011001000011010111110010100110000111100110110111011111110,RBFBYNYXSWWLNS-BYICEURKSA-N
+CC(C)(C1=CC(=CC=C1)COCCC2(CCNCC2)C#N)C(F)(F)F,84ED67DDEFC7127B_8FDFACD15AEC25C6_6039_DP,8.2821245,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000100001000000101000101101011000001001000010110010100110001001010101010101101111110,BLXDZSHKZIHMNI-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CNC2)CC3=C(OC)C=C(C=C3)Br,0EAF70FED0809472_DA94B4BFBF7D029B_6031_UN,8.281873,00000000000000000000000000000000000000000000001000000000000000000000000000000000001100110101010010001100010111000100000001010111010000100110000111100011111101111111110,FJCZCICGZOZZRD-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OCC#N)NC(C2CNC2)C3=CC=C(C=C3)F,627B6DF126758ADF_318B53CD7B324627_6041_DP,8.281871,00000000100100000000000000000000000000000110000000000100000000000000000000000000101000110010000101001000000101010100000001000111000101110110001111000011110111100111110,UGTIGJUQIISUKD-UHFFFAOYSA-N
+COC1=CC=C(C=C1)N4CCC(OC2=CC=C([N](=O)=O)C3=C2C=CN=C3)C4,1873AA1D57D64EAA_830173A61BF593FE_6003_UN,8.2817135,00000000000000000000000010000000000000000000000001000000100000110100001100010000100101100000011111101110010000010100001111101111011011010110101101111000110011111111110,LMWFXXBQVCSCBQ-UHFFFAOYSA-N
+CC(C)(F)C(C)(F)COC1=CC(=CC=C1)C2CNCCO2,D9C97EE9F4021A34_DEE3AA4937B93467_6035_UN,8.281631,00000000000000000000000000000000000000000010000000000000010000100010000000100000001000100001000100101000100101011101101011000011110010100110010101010101110101111111110,RRJVGACFKNOFHI-UHFFFAOYSA-N
+COCC1=CN=C(C=C1)NC3=C(C=C2OCCOC2=C3)[N](=O)=O,7F0A31C7A9F39AD0_D0AF62AC891F6205_6041_UN,8.281611,00000000000000000000000010000000000000100000000001000000110000010100001110000101000000100000011001100110010001000101001111101110001011010110101011111011110111111111110,MSTOVJJYCXBTIB-UHFFFAOYSA-N
+CC1=C(C2=C(N=C1)C=CC=C2[N](=O)=O)NC3=CC(=C(OC)C=C3)N4CCOC4=O,B3800E7346BD641C_CC178007F859419E_6041_UN,8.280764,00000000000000000000000110000000000000000000000001000000110000110100001100010000100101000000011110101110011001110100011111111111001011011110101111111111111011111111110,LHUQLKSINBGCIF-UHFFFAOYSA-N
+COCCCC(C#N)C1=CC=C(C=C1)NCC2(COC)CCNCC2,B1B751567609D313_59BAB0BD21DF723E_6041_DP,8.28071,00000000000000000000000000000000000000000100000000000000000000000010000000000000001000100011010001101000100011011001101001000010110111010110001001010101010111111111110,LONVVBDGGPGVPW-UHFFFAOYSA-N
+C(NC1CC1)C3=CC2=C(C=CC=C2)N3C[C@@H]4[C@H](C)CCCN4,0E3ADB9BDDE34029_5DF1C5BB52AF8993_6034_UN,8.280668,00000000000000000000001000000000000000000000000000000000000000000100000000010001001101000011000010101100110010010001101011100100110101000110001011011011010110101111010,QLIDSBCQFPGOIO-RDTXWAMCSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C)C=C(C=C4Br)Cl,1F36CA54018B823A_1D9994DB4E04041A_6035_UN,8.280569,00000000000100000000000000000000000000000010001000000000010000000010000000000000000000010100000000100101010100001100001000000111110010100100000111010010100001011011110,GJBVNDQYWNDSEV-KRWDZBQOSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C)C=C(C=C4Br)F,C0CCF594D431033F_85CCBD3ABCF434A7_6035_UN,8.28056,00000000000100000000000000000000000000000010001000000000010000000010000000000000000000010100000000100100010100001100001000000111110010100100000111010010100001011011110,IFQXRJKSBJREDD-KRWDZBQOSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)C4=C(C)C=C(C=C4Cl)Br,BFE9BF588877243A_510F035046BE082F_6035_UN,8.28056,00000000000100000000000000000000000000000010001000000000010000000010000000000000000000010100000000100101010100001100001000000111110010100100000111010010100001011011110,OLPWUUXEJGMHJF-KRWDZBQOSA-N
+NCC[C@H](OC1=CC=CC2=C1NCCC2)C3=CC=CC=C3,5D5E23988715046B_C96502AA789D94E3_6035_DP,8.280465,00000000000000000000000000000000000000000000000000000000000000000000000000000000001010000011000101101100110000010100001001000111100110010110001111010001110111100111110,FQCIPAFRJJBIMK-INIZCTEOSA-N
+CC1=C([N](C(=C1C#N)N)CC2NCCNC2)C3=C(C=CC=C3)F,060716356A1CAEF7_1E2D3465B4581018_6034_DP,8.280133,00000000000000000000000000000000000000100110000000000010000000100100000000010101101111110011000010101000100110010000001011100100110101110110001011011011010110101111010,QTAAYIXTDMDKMI-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C[NH]C2=C1C=C(C=C2)Br)NCC3=C(C=CC=C3)C4OCCO4,F51D5B48D8C374B3_2512BC820BE0D6B6_6026_UN,8.279498,00000000000000000000000000000000110000000000001000010101011111101101010011000000111100011000001011001110011101001000011011011100001110101110101011111011010111110111110,LECZVEPGHSHOKL-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCO4)CN(C)C,A4AD92F6CCDB5DAD_3F5587436C75F6E5_7022_UN,8.279402,00000000000000000000000000000000000010000000000100001000010000100000000010100111010001101011011001101100011011010101001111101111000011010110011111111111110111111111110,JRDNCXFQAKKWFY-UHFFFAOYSA-N
+CC1=C(C2=C(C=C1)N=CC=C2)NC[C@@H]3C[C@@H](CN3C4=CC=NC(=N4)N(C)C)F,BDC5C953C4F4DD88_26ACA83DD02A3AC0_6041_UN,8.279376,00000000000000000000000001000000000000100010000000000000000000100100000000110101101101110011010010101100011110010000000011100100110001110110011011001111010110101111010,PWZVAENXSOAIKA-HOTGVXAUSA-N
+CC1=CC=C(C=C1)C2=NC(=C(Cl)N2CC3(CNCC3)F)C#N,96B91D3C3F608EA6_2D1E59A4B3556808_6034_UN,8.279371,00000000000000000000000000000000000000100110000000000000000000100110000000010101101101110011000010001001100100011000001011100100110000100110001010011011010110101111010,RGGQNQVKBFXGDQ-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)N[C@@H]2CCO[C@H]2C3CCNCC3,A0D0F6E9F83CCA44_6DE5C4A29BA3A996_6041_DP,8.278726,00000000000000000000000000000000000000000100000000000000010000100010000000100000001100100011000111101000100001011000001011000000110111010110011011010111110011101111110,VGYPXKOQCCFLIL-MOPGFXCFSA-N
+NC1=CC=C(C=C1)C3=NC2=C(C=C(C(=C2)F)F)N3C[C@H]4O[C@H](OC)CNC4,1BA78F16C328ABD1_63AD8D2A5C1088AA_6034_UN,8.278719,00000000000000000000000000000000000000100010000000000000010000100100000000010101101111110010010110101100010100000000100011110111100111110110001111001011110111111111110,VBHDPQREQOHKOZ-UGSOOPFHSA-N
+FC1=CC2=C(C=C1)C(=CN2CCNC(CC)C)C3CCNCC3,49F3BBD6B5DB1195_D25271CB43D69913_6034_UN,8.278715,00000000000000000000000000000000000000000010000000000000000000100100000000010001001101110001000010101100110110010011101011100100110100100110001001011101010110101111010,GVMHODVAXGWBAY-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)N[C@@H]3[C@@H](C)NCC3,62E2EB494327ED64_983FAD5AC01A061A_6041_DP,8.278496,00000000000000000000000000000000000000000000000000000110000000000000000000000001101100100011000011101000100011010000101011000011110111010110001101010011110111101111110,WAFWOIIQCKSGFB-DYVFJYSZSA-N
+CC1=NC(=CC=C1)CCOCC2=CC(=C(N(C)C)C=C2)C,2DA4C8FB4CD37549_E53EE7F800F84512_6039_UN,8.278439,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010001100000000011010000001001100110010011010110011011011110010111101111110,NYEKCIVHIJXIQG-UHFFFAOYSA-N
+CC4(C)COC3(C[C@@H]2CC(OC1=CC(=C(C=C1)C(F)(F)F)C#N)C[C@@H]2C3)OC4,CE0B66DA48896A4C_D5FA61F8482859E4_6035_UN,8.278101,00000000000000000000000000000000000000000110000000000000010000000010000000100000000000000100000010100100011101001101000010010011110010100110000111100110110001011111110,HVLPWNPWCAVUHT-VMZNBEPHSA-N
+CN(C)CC1(CCCCC1)COC2=C(C(=C(C)C=C2)C)Cl,B536465CFC74B818_4643C82E895306FD_6035_UN,8.278096,00000000000000000000000000000000000000000000000000000000000000000010000000100000000001110000010001001001000111001101001000100011110000100010010111011110110101101111110,HJUAJVDGMWGXBX-UHFFFAOYSA-N
+N(CCC1=CC2=C(C=C1)CCOC2)C(=O)C4=C3[NH]C=CC3=CC(=C4)F,923B76A0FDE47C22_4AC0EA5D18DCA822_6038_UN,8.277943,00000000000000000000000000000000000000000010000000000100010000000100000000000000101100110000100011101100110101110000011011000100110110100110001011010001011111110111110,MPYBJJGFIZQDHU-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NCC3CNCCC3C,394A03F987896D27_6FC2F77902F0E48E_6041_DP,8.277581,00000000000000000000000000000000000000000010000000000100010000100010000000000000101000110011000000101000100101011001101011000000110111110110001001010011010111101111110,SOQQDUDJUAYPCK-UHFFFAOYSA-N
+CC2(C)[C@@H](OC1=CC(=C(C=C1)Cl)C#N)[C@H]3CCCN[C@@H]23,1688E9F189169E83_B4E163A4000C6DD5_6035_UN,8.277529,00000000000100000000000000000000000000000100000000000000000000000010000000100000001000010011000001101101110110011100001001000011100000100100001111010111110011101111110,WLIRUUSJOLJCGQ-CFVMTHIKSA-N
+CC2(C)[C@@H](OC1=CC(=C(C=C1)Br)C#N)[C@H]3CCCN[C@@H]23,4CB7F8F52F627245_99ECEB92C8DFDC36_6035_UN,8.277527,00000000000100000000000000000000000000000100001000000000000000000010000000100000001000010011000001101100110110011100001001000011100000100100001111010111110011101111110,KZNCXLMVKNWFSH-CFVMTHIKSA-N
+NCCC3CC(OC1=CC=C(C=C1)C2NCCNC2)C3,B3E1A71E205DB6FE_2DF2AF800389B4B1_6035_DP,8.277513,00000000000100000000000000000000000000000000000000000010000000100000000000000001001010100001000000101000100000010100001011000011110110000110001101010001110111100111110,FUOMBOHYVOZBOE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C2=C(O1)C=CC=C2)Br)NCC4C3=C(C=C(OC)C=C3)CCC4,1B15E4E2EF2724AB_2F6E70ADE19C9354_6026_UN,8.277255,00000000000000000000000000000000110000000000001000010001011111001001010011000000011100011011011110001110011100001100011000001111111000101100100111111011110111111111110,UQIACJGHLVNZNV-UHFFFAOYSA-N
+COC1=C(C(=CC(=C1)[N](=O)=O)NC2=CC=C(OCCOC)C=C2)C#N,E9BD9BC2E2CD3683_6BD3A4D74E787EF9_6041_UN,8.276875,00000000000000000000000010000000000000000100000001000000100000010000001110000000100000100000011001000010000001000101101100101111001011010010101111111111110111111111110,SOQWUKXDVUCETB-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)[N](C3=C2CNCC3)CC4(CC45CCNCC5)C#N,5C58D30B64852826_34549F2958A0A46F_6034_DP,8.27671,00000000000000000000001000000000000000000100001000000000000000000110000000010000101101110001000010101100110100011000001011100100110100100110001011011001010110100111010,PKSMGVDXOZQRJH-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)[N](C3=C2CNCC3)CC4(CC45CCNCC5)C#N,6E11202A00FB7BF5_C74BCA9DBEF38DE1_6034_DP,8.27671,00000000000000000000001000000000000000000100000000000000000000000110000000010000101101110001000010101101110100011000001011100100110100100110001011011001010110100111010,KNEVFXHIIUENMC-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[N](C3=C2CNCC3)CC4(CC45CCNCC5)C#N,4351332D8BBC84DE_DAEBC5FEA43375C9_6034_DP,8.276705,00000000000000000000001000000000000000000110000000000000000000000110000000010000101101110001000010101100110100011000001011100100110100100110001011011001010110100111010,NWCBIDVNZYZKJY-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N2CCCC2=O)NC3=C(OC)C=C(C=C3)[N](=O)=O,5C00F7BE48EE7882_D39B5B9FDE774EA0_6041_UN,8.276444,00000000000000000000000010000000000000000000000001000000100000110000001100010000000101000000111111001010000000110100011101101111011011011100101111111111111011111111110,LBQQXSCYCRTXOG-UHFFFAOYSA-N
+CN(C)C1=NC=CC(=C1)COCC3=C2N=CC=CC2=C([N](=O)=O)C=C3,E7F1A3741A5376A1_E6B4F118CA9EED9E_6039_UN,8.275925,00000000000000000000000010000000000000100000000001000000100000010100001100100100100001100000011001100110010001000000000111101110001001010110001001101100010111111111110,VUQSGYZJGFVGFR-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(CCCC)(C)N,AEF033CACCB40981_48A7D98A0638DC4E_6034_UN,8.275738,00000000000000000000000000000000000000000000000000000000000000000110000000010001101111110011000010101101110110011011101011100100110100100110001011011101010110101111010,DXAWVBPLUYEVAB-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(CCCC)(C)N,F05686D533DA4CAB_5507D6E91CF82466_6034_UN,8.275731,00000000000000000000000000000000000000000010000000000000000000000110000000010001101111110011000010101100110110011011101011100100110100100110001011011101010110101111010,UOHJEONBBJXEBL-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)CC(CCCC)(C)N,6B89EAF25619E890_BBB88C3EE06BF5C0_6034_UN,8.275724,00000000000000000000000000000000000000000000001000000000000000000110000000010001101111110011000010101100110110011011101011100100110100100110001011011101010110101111010,WWROXRCLJFDAIM-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=C(C=CC=C1)OCC3=CC=C(N2CCC(OC)CC2)C=C3,6078CC146E51BF9D_33E6CC809B8640F8_6039_UN,8.27563,00000000000000000100100000000010000000000000000000000000000000100000000000110000000001100000010001101000000011011100101001100111110011010110010111011110110111111111110,BCMVTEMJXJARMM-UHFFFAOYSA-N
+SCCC1=C(C=CC=C1)NC3=C(N2CCN(C)CC2)C=C(C(=C3)Br)F,F3BF9F49B9216BCA_CE9CC07ACB6F4D4F_6041_UN,8.275516,00000000000000000000000000000000000000000010001000000000000000100000000000010001001001111011010000101000100100010001101011100100110101110110001011011011010110101111010,DUDNZLGBJVNAEQ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC(=CN=C1)C#N)NCC2=NC(=CS2)C3=CC=C(OC)C=C3,C816077632DF9883_2F02B0CE55D4FAE7_6026_UN,8.27524,00000000000000000000000000000000110010000100000100010001001111101101010001000001111100001000011011101010001000011100010011001111001000001100001101101001110111111111110,AFKXWDCQXLHDLH-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C(=N2)C3CNCCC3)CCNCC4CC=CCC4,C91747BD40B28EB9_9230505CD557853B_6034_UN,8.275221,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101100011000010111100110000010000001011100100110100000110001011011011010110101111010,ZBYNPDNUHJGISP-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN[S](C2=CC(=CC(=C2)CC#N)Cl)(=O)=O)C,C1F10560168FA3E9_42DCB6CD157DA70F_6029_UN,8.275209,00000000000000000000000000000000110000000100000000010001001111001001010001000000011000011000011000001011001100011100010000001111001000101000001111101111110111111111110,GTZILPPFWSKMFA-UHFFFAOYSA-N
+COC3CC(C=CC1=C(C)[N](C(=C1)C)CCN2CCOCC2)C3,EC142CC5DF771A28_508E0F7FB20957E4_7019_UN,8.275104,00000000000100000000000000000000000000000000000000000000010000000100000000010001000101100000010110111000000011010000101011100011110010000110011110011110110111111111110,URIMQICLMPCKNT-UHFFFAOYSA-N
+O(CC1=C(C=CC(=C1)C2=CN=CC=C2)F)CCOC3(CCC3)C#N,81BE14851D93DB3F_10B600DBE9046ED2_6039_UN,8.274127,00000000000100000000000000000000000000000110000000000000000000100110000010000000000000110000000100100000000101001000001001000111110010100110001111010010110101010111110,RSYIEGSLAGRQMF-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)C=C3)C(=O)C4=COC5=C4C=C(C=C5F)F,71E3E2F257C0008D_1AAD4C6BFDDAF0FB_6038_UN,8.274086,00000000000100000000000000000000000000000010000000000000010000000010000000000000000100010100100011110100010100101100011010000100000011110100000011110001101011110111110,BHHJRPMOLPWRST-UHFFFAOYSA-N
+FC1=C(N=C(C=C1)N[C@@H]2CNC[C@H]2C3=CC=CC=C3)C#N,43B07E060BF8DE7E_E42219415C2600AB_6041_DP,8.273679,00000000000000000000000000000000000000100110000000000110000000100100000000000101101100110011000010101000100100010000000011000100010101110110001011000011010010100111010,JYULPFUSIBMBBD-SWLSCSKDSA-N
+COCOC1=CC(=C(C=C1)NC2=C(N(C)C)N=CN=C2)C#N,36BBB0CC0397CFD5_B1BDCDB3ED4255CF_6041_UN,8.273562,00000000000000000000000000001000000000100100000000000000000000000100000000100101100001100000010000100000000001000101000011110111000001010100011111001111110111111111110,ZNKKLAPGWTWCMD-UHFFFAOYSA-N
+CC(C)(C)[Si](C)(C)OC[C@H]3CC[C@H](COC1=C2C(=CC=C1)OCCNC2)CC3,406E50E2F972A5EF_8AB75AD5EE6FDDE9_6035_UN,8.273306,00000000000000000001100000000010000000000000000000000000010000000010000000100000001000100100010101001110110011011100101011001011110010000110010111111101110101111111110,IKRNBLUSVMGXRK-WGSAOQKQSA-N
+CC(=O)C1=C(C=C(C=C1)[N](=O)=O)NC2=C(CC)N=C(C=C2)OC,1E0FDBDCA3598F99_C9EA64CAEF12BD15_6041_UN,8.273287,00000000000000000000000010000000000000000000000001000000100000010100001100000001100000000010111001100010000000110110010101101111001001011100111111101111101111111111110,JKJCCZOHLQJWSH-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)CNCC23CC3)(CN)C4=C(C=CC=C4)Br,C0C660FA990B23E8_2A4F89252AD79B9A_6035_UN,8.273275,00000000000000000000001000000000000000000000001000000000000000000010000000000000001010110011000100101100010100001101000001000111110110100110001111010011110101101111110,JMUMASYISDTFCX-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)CNCC23CC3)(CN)C4=C(C=CC=C4)Cl,F0836392CE305E24_EEA88363BE89B9FF_6035_UN,8.273268,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000100101101010100001101000001000111110110100110001111010011110101101111110,GZNATRHEICKOAV-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCO2)NCC4=C(N3CCN(C)CC3)C=CC=C4Cl,CCCD46C56EE45C14_A80667B42E31D6FD_7022_UN,8.2732525,00000000000000000000000000001000000000000000000000000000010000100000000010010001101101110000010011101101010101010101101011110100110001110110001011011011110111111111110,DZFOJTLOURYYKE-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)N=C=O)NC(C2=CC(=C(C(=C2)OC)OC)OC)C#N,497C307D6E7FE340_544FB0A69892166D_6041_UN,8.273153,00000000000000000000000000000000000000000100000000000000000000000000000010000011000000000100010000000000000000100100010100000111000001010000111111100111101011111111110,RIXUGBYGSAPFSW-UHFFFAOYSA-N
+C(CC2COC1(CCCC1)O2)=CC3=C(F)C=CC=C3OC(F)(F)F,2B944F68289D7C67_6F7DB10448C9B2D3_7019_UN,8.272646,00000000000000000000000000000000000000000010000000000000010000000000000010000000000100010000000010010000011101001100001010010011110010100100000110110010110101010011110,ZUAMZFZEDPRENO-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NCC2=CC=CC(=N2)C)C#N,AECF348619F864F3_C4B9F3D789D40BDB_6041_UN,8.272478,00000000000000000000000000001000000000000100000000000000000000000100000000000001101000100000010000101000000011010101000001010111000001010110001111000111110111111111110,VNSCFRKRGKJTTA-UHFFFAOYSA-N
+CCOC1=C(C=CC(=C1)F)NC2=CC(=NC=C2)N(C)C,FEEBEB5ADA4933B1_4D0B80B4EAEB7CF7_7022_UN,8.272276,00000000000000000000000000000000000000100010000000000000000000000100000000100100100001110001010100100000000101000110000001100111000001110100011111001111110111101111110,CJGPKFWLLHFANM-UHFFFAOYSA-N
+CSC(C)(C)[C@@H](N)COC1=C(C=C2C(=C1)CNCC2)F,8A01D25BEB3B0827_2EE55FF92C68E047_6035_UN,8.271801,00000000000000000000000000000000000000000010000000000000000000000010000000100000011010111001010100101100110111011100101001000011110100100110011111010111110111101111110,OIFFVFWZKNVKQE-AWEZNQCLSA-N
+COC1=CC2=C(C=C1)C(=CN2CC3CNCC(O3)C(F)(F)F)CC#N,C08AA29784BECA2D_AB7EF692116E627E_6034_UN,8.271798,00000000000000000000000000000000000000000110000000000000010000000100000000010000101101100010010111101100011100011100000011100111100010100110001101001001110111111111110,MSFPVPUKKQVVHQ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC(=O)C2)NC3=CN(CCN(C)C)C(C=C3)=O,38A8BD0574C3E961_D687AAA4F73F268F_6041_UN,8.271214,00000000000000000000000000000000000000000000000000000000010000000100000010110001000001100001110000101100010001110101111011100101100011011110001111111111111111111111110,LYBFUYTUGIJACR-UHFFFAOYSA-N
+FC2=C1SC(=NC1=CC=C2)NC3=CC=CC4=C3OCCC4N(C)C,E34502037A6668E1_D6EBD1A8AE89AD24_6041_UN,8.271106,00000000000000000000000000000000000010000010000100000000010000000100000000100100010101111001010111100100011111010100101011100100000011110100001011011101110011101111110,RNOGDKAMNSMLON-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)CSC(C3=CC=C(OC2CNC2)C=C3)=O)F,256435B3913DDCE0_ACA13A9136A07FEB_6038_DP,8.270951,00000000100100000000000000000000000000000010000000000000000000000000000000000000011000111010000100001000000100000100000001000111000010100110000111000011111101110111110,PDQHKNBTNRYCLD-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C2=NC(=C(Cl)N2C[C@H]4[C@@H]3CNC[C@@H]3C4)C#N,596CFEE54D9505E8_0C7FD0123159D4E4_6034_UN,8.27083,00000000000100000001000000000000000000100100000000000000000000100100000000010101101101110011000010001001010100000000000011100100110000100110001010001011010110101111010,RRVRSDMQROWYCQ-SOUVJXGZSA-N
+CC1=C(C(=C(C=C1)[N](=O)=O)NCCOC2=CC=CC(=C2)OC)C,F6EFDAEB1ED70D62_00DC8F1B6B5D3FC5_6041_UN,8.270632,00000000000000000000000010000000000000000000000001000000100000010000001100000001001000000100011101001010100011010100001100101111001011010010111111111111110111111111110,PKUUFGFANALTIS-UHFFFAOYSA-N
+CC(OC1=CC(=CC=C1)C2NCCCC2)(C#C)C3=CC=CC=C3,F2D71E017057002D_A969546824F5C066_6035_UN,8.270597,00000000000000000100000000000000000000000000000000000000000000100010000000000000001000000011000000101000100000011100001001000111110000000100000101010001110011101111110,UDSVRIJEYVGGQR-UHFFFAOYSA-N
+N#CC1=CC(N(C=C1)C[C@H]2[C@H](N(C)C)CCC2)=NC3CC3,A08CEC6F96C9A582_2DED064C64B064E7_6034_UN,8.270573,00000000000000000000001000000000000000100100000000000000000000000100000000110110100001100000010010101000000010010000101101100000110001010100001010011110010110101111010,AKTAARBQLWSTIL-GOEBONIOSA-N
+OC(=O)C3=CC1=C(C=C(C=C1NCC2CN(C)C2)F)[NH]3,A12F756EBAF7C09B_4366A5F2429B1E1E_6041_UN,8.270531,00000000100100000000000000000000000000000010000000000110000000000100000000010000101101110010010110001100010110000001000011110100100101110111001000001001011111111111110,HGFABIKIAZTSPV-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NCC2=C(N=CC=C2)N3CCOCC3,4AB7349EDFA8F1F1_CB5AAA87962C145B_6026_UN,8.270467,00000000000000000000000000000000110000100100000000010001011111101101010011010100111101101000001110101010001001011000011011101100111011011110101011111011110111110111110,SWVMLJCDGFYTSU-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C3=C2CCCC3)CCOC4(CN)CCSC4,328FF873F5D9AB42_49F864203D98A940_6034_UN,8.270384,00000000000000000000000000000000000010000000000000000000000000000110000000010000001111101011000110001100010001011000001011100111110111010110001111011001110111100111110,APFBVZRWYZEYIY-UHFFFAOYSA-N
+CC3(C)OC1=C(C=C(C=C1)NC(C)(C#N)C2CC2)C=C3,A747E84A30C4381E_601B38779DF09A44_6041_UN,8.270238,00000000000000000000001000000000000000000100000000000000010000000010000000100001000000000011000000110100010000001100100000000000000001010100011011010101100011101111110,GNOCWHSGSBMSFN-UHFFFAOYSA-N
+FC2=C1C=C[NH]C1=CC=C2NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,B0400B6F595145D4_A5FA6717707E13D6_6041_UN,8.269451,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001011110101100010111010001101011101100110111110110001011011111110111101111110,DBQJJTNCPLXKSG-WMZOPIPTSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)C[CH]=[C]=[CH2],081D732C427E8E2E_A8D1C250E2EB82EA_6034_UN,8.269292,00000000000000000000000000000000001000000010000000000000000000100110000000010000101101000011000010011100111100011000001011100100010000100110001000011001010110100111010,TWRWHTMDWREVIN-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2CC2)NCC3=C(N(C)C)C=C(C=C3)C,72DC31C031158C88_7847C87AE3F157F0_6041_UN,8.269261,00000000000000000000001000000000000000000000000000000000000000100000000000100000101001100000010000001000000010000000000000100100000001010000011011011111010110101111010,DPCDBXFLLYCNRN-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CC4=CC=C(C=C4)C#CI,B267196AE6C1BC28_5108D13AB5D48F70_6034_UN,8.268917,00000000000000000100000000010000000000000000000000100000000000100100000000011000001101100001000010111100110000010010001011100100110000100110001001011001010110101111010,YDRPSRXSGSGTCD-UHFFFAOYSA-N
+COC1=C(C(=CC(=C1)[N](=O)=O)NC3=C2N=CC=CC2=C(OC)C=C3)C#N,E018C42693AEFC8D_95FC71EFE4E39360_6041_UN,8.268881,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000000011001100110010000000100000101101111001001010100101111101111100011111111110,NOJZTGWKVIDFSS-UHFFFAOYSA-N
+O(CCCNC1=NC=CC=C1)C2=C(C=C(CCN)C=C2)[N](=O)=O,7FFC8E173DC1F38F_0A066175D622611A_6035_UN,8.268403,00000000000000000000000010000000000000100000000001000000100000010100001100000100001010000110001101101010100001010100001101101111001111010110001111111011110111110111110,QJDBVTQHFBHUDY-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=CC(=NO3)C4CCNCC4,D7393BB40B948762_8F2C96976CA35938_7022_DP,8.267962,00000000000000000000001000000000000000000110000000000000010000100110000100000000101100110001001111101010100100011000001011001100110111110110001011010011110110100111110,CERNWFRATIZZGH-UHFFFAOYSA-N
+C(CN1CCN(CC1)C2CC2)=CC3=C(C=C(C)C=C3)C4=CC=N[N]4C,179CCF5473EA1707_23E42B382367F980_7019_UN,8.267939,00000000000000000000001000000000000000000000000000001000000000100100000000010001100101100000011010111000000000010000001011101100110001000110001011011110010110101111010,MQWUXXATOVHKRU-UHFFFAOYSA-N
+NCCC(OC1=CC3=C(C=C1)NC2=C(C=CC=C2)S3)C4CCCCC4,3102E5D8C440E361_D431CB1F397B55FA_6035_UN,8.267607,00000000000000000000000000000000000010000000000000000000000100000000000000000000011010001000000001101100110000010100001011000111110110010100001111010001110111100111110,VZSOWNANXADBGS-UHFFFAOYSA-N
+NC1=C[N](C2=C1C=CC=C2)CCOC3(CN)CCC(F)(F)CC3,C5C3CB76ADA467FC_5F09FB8B61A3332F_6034_DP,8.267584,00000000000000000000000000000000000000000010000000000000000000000110000000010001101111010011000110001100010101011000001001100111110111110110001101011001110111100111110,WUZAOJRZXZRHIZ-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2CCC2)NC3=NC(=NC(=C3)Cl)C4CCOCC4,4A3B6E29E74E8367_ACCF2A417279A39C_7022_UN,8.267445,00000000000100000000000000000000000000100000000000000000010000100100000000000100100000110001000000100001000101000000001011000100110011110110001011010011010011100111110,JBJGFNZDDMHCKD-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)N[S](=O)(=O)C3=C2C=C[NH]C2=CC=C3)CC#N,D31F55ACCBC697E8_47F4BC8B5E5FFA2B_6043_UN,8.267106,00000000000000000000000000000000110000000100000000010001001111001101010001000000010100001010011010000110011000011100010001001111001101011100001111101011100111111111110,RLXCJMOJHCENNC-UHFFFAOYSA-N
+C[S](=O)(=O)NC1=CC=C(C=C1)C2=CC(=C(OC)C=C2)CN(C)C,B413988398F5136B_14B7DD75CCD5BEE2_6005_UN,8.266935,00000000000000000000000000000000110000000000000000010001001011100001010001100000000001101000011001001010001010001101010000101111001001011000011111101111110111111111110,YLMFIZNGNCVQPC-UHFFFAOYSA-N
+CC1=CC=C(C=C1)CC(OCC2OCCC23CCNCC3)C4CC4,3BD7D2E0BC9BDF8D_C272163FBF740BFA_6039_DP,8.26692,00000000000000000000001000000000000000000000000000000000010000000010000010000000001100100001000010101000110001011000001011000010110010000110000001010001110101111111110,PPAKXWBAVQADPA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[N](=O)=O)NC3=CC(=C(OC2=C(OC)C=C(C=C2)C)C=C3)F,A5A38969E5D678BE_5A6102710F64291C_6041_UN,8.266786,00000000000000000000000010000000000000000010000001000000100000010000001110000000100000010000011100000010000100000100000100101111001001110000111111101111100011111111110,VUWCMKJWERDDDZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OC3=C2C=CC=C3)NCC(SCC)(SCC)SCC,9BF003E81653B4C8_39DA3DDC884FD30D_7022_UN,8.266725,00000000000000000000000000000000000000000000000000000000010000000000000000000000011100001001000010001100011010001010000000000100110001010110010001000101110110101111110,POBMBALUFUKOFL-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[S](=O)(=O)N)NC(=O)C2=CC=C(S2)C3=CC(=C(C=C3)Cl)Cl,3FD54209210096C0_CE8D9340CEF53CA2_6038_UN,8.266193,00000000000000000000000000000000110010000000000000010001001111101001010001000000010110011000111110000011001100101100010000001111001101111100101111101011101011111111110,ZGKWVMZKRNMVGF-UHFFFAOYSA-N
+COC1(CNCCC1)COC2=C(C=CC(=C2)Br)C(F)(F)F,2BE5AE906C00DB5C_A84DDD75FB2D4F4F_6035_UN,8.265451,00000000000000000000000000000000000000000010001000000000000000000010000010000000001000110011010101101000101111011100101001000011110010100110000111010011110101111111110,UXPKIIJAXVAZLM-UHFFFAOYSA-N
+CC[C@H](OC2=CC1=NC(=CC(=C1C=C2)C)Cl)CN3CCNCC3,2CD10EC4158E8AC1_0411E0FE0A678905_6035_UN,8.264883,00000000000000000000000000000000000000000000000000000000000000000100000000010001001001110001000101101101110100010110101011100111110010100110001101011101110111101111110,IMQMINBCKWZXGN-AWEZNQCLSA-N
+COC1=CC2=C(C=C1)C=CN=C2NCC3=C([S](N(C)C)(=O)=O)C=CC=C3F,8C7FA96F59559020_D1D4F47AA55A6D17_6041_UN,8.2646885,00000000000000000000000000000000110000100010000000010001001111001101000001100100011000111000011000101110011100001100010001101111001001111100011111101111110111111111110,CRFJVMSQLCFUCP-UHFFFAOYSA-N
+NCC3(OC2=C(C1(N)CC1)C=C(C=N2)Br)CCNCC3,A06B8F8AED4BE61B_0A67F3D82E55BB65_6035_DP,8.264319,00000000000000000000001000000000000000000000001000000000000000100110000000000000101010110011100101101000100100111100011011000011110111100110001111010011110111100111110,GVJZPURQRYQAFJ-UHFFFAOYSA-N
+C(CCN1CCOCCC1)=CC2=C(N(C)C)C=CC(=C2)C#N,35322E0FB4A3D6C3_D1B2878C469BDC2D_7019_UN,8.264307,00000000000000000001000000000000000000000100000000000000010000000000000000110000000001100000010101011000000001010000001011100000110011010110001010011110010111101111110,XCCJHBUCZYWYOS-UHFFFAOYSA-N
+NC2(CCOCCOC1=C(C=CC=C1)C#N)CCC(F)(F)CC2,102BBD8006D64C32_E8C9AE5AF27CEBEA_6039_DP,8.264247,00000000000000000000000000000000000000000110000000000000000000000010000010000000000010110010000001000000100101011100001000000011110011100010001111010011110111110111110,QQPVXEXNWQTANT-UHFFFAOYSA-N
+C1(=C(C=CC=C1Cl)Cl)N(OC)C2CCCOC3=C2C=CC(=C3)C,B3BB3468589F73B2_40060FE55937CAC6_7022_UN,8.26423,00000000000001000001000010000000000000000000000000000000010000000000000100000000000000010000011001000111010111010100001000101110000011110100000011011110110011111111110,CMTCXRFMTSQNTB-UHFFFAOYSA-N
+C1(=C(C=CC=C1F)Br)N(OC)C2CCCOC3=C2C=CC(=C3)C,ADA7AA2BE30E1CB1_6355C9950022C5B8_7022_UN,8.264221,00000000000001000001000010000000000000000010001000000000010000000000000100000000000000010000011001000110010111010100001000101110000011110100000011011110110011111111110,WTDWFTWROWLNNZ-UHFFFAOYSA-N
+C1(=C(C=CC=C1F)Cl)N(OC)C2CCCOC3=C2C=CC(=C3)C,7DC3388C717DB389_F2227626721D8D5B_7022_UN,8.264221,00000000000001000001000010000000000000000010000000000000010000000000000100000000000000010000011001000111010111010100001000101110000011110100000011011110110011111111110,RQDIQGQDBMVMBP-UHFFFAOYSA-N
+C1(=C(C=CC=C1F)F)N(OC)C2CCCOC3=C2C=CC(=C3)C,434ACD506A0A82A9_AB50DDF5BB98483D_7022_UN,8.2642145,00000000000001000001000010000000000000000010000000000000010000000000000100000000000000010000011001000110010111010100001000101110000011110100000011011110110011111111110,HUBJUZLSGTZVNW-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)NC(C)CC4=C(C=CC=C4F)F,26B267305852C14B_2DF304E41127C659_6041_DP,8.264058,00000000000000000000000001000000000000100010000000000000000000100100000000010100101101110011000010101100111100010001001011100100110101110110001011011011010110101111010,ZZBHDMWZMOOXBH-DMJDIKPUSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=CC(=CC=C2)C3=CN=C(C=C3)F,93C0E2C6EAEF6802_776B0EB566A07261_6035_UN,8.263757,00000000000000000000000000000000000000000010000000000000000000100100000000100001101101110001010111101000000110010100100011100111010011100110001101001111110011101111110,TYRJLFHTDVLARP-HZPDHXFCSA-N
+N(CCC1=CC2=C(N=C1)C=CC=C2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,4B24341242B66BCF_1E729B48B9F56446_6028_UN,8.263756,00000000000000000000000000000000110000000100000000010001001111001101010001000000011000001000011000101110111000011100011001001111001000001100001111111011110111111111110,AMNFXFCJTFGXAE-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(=C[N]2CC3(N)CCNCC3)CCN,521F3422DDDE7DBA_36DB45374A295885_6034_DP,8.2634735,00000000000000000000000000000000000000000000000000000100000000000110000000010001101111100011010011101100110000011100001011100111110101000110001101011001110111101111110,GGSIWXCTNVPLBE-UHFFFAOYSA-N
+CN(CC1=CC2=C(C=C1)C=C(OC)C=C2)[S](C3=C(SC)N=CC=C3)(=O)=O,75908F44BE54A8CB_2D1F207683C26ADC_6029_UN,8.263374,00000000000000000000000000000000110000000000000100010001001111001101000001000000110000101000011001101110011000001101010001101111001000001100011111101110110111111111110,RFPKEUBQAYVTQL-UHFFFAOYSA-N
+C1=CSC(=C1)C2=CC3=C(C=C2)C=CN3CCC4(CN)CCCCC4,AAB1601314020B66_617F6D2BD9B0068E_6034_UN,8.263373,00000000000000000000000000000000000010000000000000000000000000100110000000010000011111001011000010001100010000011000001011100100110000000110001001011001010110100111010,PDQAHERRUPJFOZ-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)NC4=CC(=CC(=C4)F)C#N,3039F8DA97A1428F_84A8700A911846A8_6041_DP,8.263291,00000000000000000000000000000000000000100110000000000000000000100100000000010101101101110011000010101100110100010000001011100100110101110110001001011001010010100111010,CLROMVMOZORKRO-KGLIPLIRSA-N
+COCOC1=CC(=CC(=C1)F)NCC2(CC(OCC)C2)N3CCOCC3,FDACE09DDA626D9F_84AAD161DA704FA5_6041_UN,8.263269,00000000000100000000000000001000000000000010000000000000010000100010000000010001001001110011010101101000000111011111001011110011110011110110101101111101110111111111110,PXIJZPDJPDOEJT-UHFFFAOYSA-N
+COC(=O)C2=C1C=C[NH]C1=CC(=C2)NCC3CCN3C,781EB4BAF2F32094_FFA111CDD2EADCD4_6041_UN,8.263265,00000000100100000000000000000000000000000000000000000100000000000100000000010001101101100011010010001100010000010001101011110110110101010110001000011111011111111111110,BSOQLTFSDDEGIL-UHFFFAOYSA-N
+N(C1=C(C=CC(=C1)C#N)O)[S](C2=C(C=CC(=C2OC)OC)CCl)(=O)=O,CE68B3EFF67755DC_9817424AD79D7910_6029_UN,8.263104,00000000000000000000000000000000110000000100000000010011001111001001010011000000010000001101011101000011001000001100010000001111001101111001101111101111110111111111110,SKBBTHAZYROBPF-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=CN=C3)NC4=C(C=CC(=C4)F)N5CCCCC5,E9979A84543CA079_B329BFE17E1A0538_6041_DP,8.263024,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011000010101100110100010000001011100100110101110110001011011011010010100111010,OBWDOFOJCIKAOD-SJORKVTESA-N
+CC1=C(C2=C(S1)N=CC=C2)NCC4=CC=C(CN3CCCN(C)CC3)C=C4,E5ECD929605655DD_D943F97D7E7420C2_6041_UN,8.2629595,00000000000000000001000000000000000010000000000100000000000000000100000000010001111101101000010010101100010010010001101011100100110001010110001011011111010110101111010,SYHQWQSVWJENEX-UHFFFAOYSA-N
+NC2(CCOCCC1=CC=C(F)C=C1)CCC(F)(F)CC2,CB8E09BF5529D454_323BF632DACA03BD_6039_DP,8.262488,00000000000000000000000000000000000000000010000000000000000000000010000000000000000010110010000001000000100101011000001000000010110011100010000001010001010111100111110,PAFLBROHYUPGHW-UHFFFAOYSA-N
+CN4CCC1(CCCN(C1)[S](C3=C2C=CC=CC2=CC(=C3)C#N)(=O)=O)CC4,38EEAEB6BAAB2C7B_00401708EF21A7B3_6029_UN,8.2620945,00000000000000000000000000000000110000000100000000010001001111001011000001010000010001101000011000101110011000011001111011101100111000001110001001011000010010111111110,GJYWWJHCMHNAIZ-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC(CC2=C(C=CC(=C2)Br)F)C#N)C=CC=C3)C4=CCNCC4,1B0415A155E40F1A_52108CFFDAA02C85_6034_UN,8.262074,00000000000000000000000000000000000000000110001000100000000000100100000000011000101101110001000010111100110110010000101011100100110000100110001011011011010110101111010,ISTUCWPWWCWSQH-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C(C)(OCCC3COC2(CCCC2)O3)CC=C,2100F270620C00DE_605EAB1BE7ECD5FD_6039_UN,8.262014,00000000000000000000000000000000001000000000000000000000010000000010000010000000000100000100010010010000010011001101101010010011110010000110100100110100110101011011110,REAORXOCJBUUSK-UHFFFAOYSA-N
+CC1(C)CCCC2=C1N=C(C(=C2)C#N)NCC3C(CCCN3C)(C)C,7DC17D12E3AF824F_BC08C6F7A9CA6A4C_6041_UN,8.262004,00000000000000000000000000000000000000100100000000000000000000000110000000110101101001100001010000101100010010011001101011100000110001010110011011011111010110101111010,XOFPMUJLKLTPKR-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=C(Cl)C=C2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,EC1548E5BBB22F59_ED723E36A8F2EE5B_7022_UN,8.261942,00000000000000000000000000000000000000000000000000001000000000100100000000010001101101110011011010101101010110010001101011101100110001110110001011011111010110101111010,AGGLKAZENPDKOI-LAUBAEHRSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC=C(CSC)C=C2)OC,F47BAEF7AEC11924_8A1C0C6A035E79AF_6026_UN,8.261405,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000101100011001000010001000001101010000001111001001011000110111101111110111111111110,NCQUKXSGTQRDHU-UHFFFAOYSA-N
+C2(=C1OC=CC1=CC(=C2)F)NC3=CC(=N[N]3C)C4CCCCC4,9175E684F79D03E0_2DC064D0A93BA59E_7022_UN,8.261352,00000000000000000000000000000000000000100010000000001000010000100100000000010101100100010000011110000100010100000000001011101100110001110100001011011011100010101111110,KDYSTCAJRLXPLE-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(=CC=N2)NCC(C)(C)C3=CC4=C(C=C3)OCCO4,FF3508D01DD442A7_F180E65CE6D46796_6041_UN,8.261058,00000000000000000000000000000000000000000000000000000000010000000110000010100000101000000000010001101100010001001101001011000111000011010110011111110101110111111111110,MFFFQOBEQQZNED-UHFFFAOYSA-N
+CO[C@@H]1C[C@H](NC1)C2=NC(=CN2CCC3N(C)CCOC3)C4=CN=CC=C4,4963B55CF78B6708_CFCB79EDB61236BD_6034_UN,8.260944,00000000000000000000000000000000000000100000000000000000010000100100000000010101101101100011010111101000100011010001101011100111110010000110001111011111110111111111110,HIJATJZRPPLYKX-RWZMTBSZSA-N
+CC1=C(C3=C(N1CCCN2CCC(N(C)C)CC2)C=CC=C3)C4CCNCC4,A132919264810852_0DDC3154D7219111_6034_UN,8.260752,00000000000000000000000000000000000000000000000000000000000000100100000000110000101101100001010010101100110010010000101011100100110001000110011011011111010110101111010,GPTXMMYHDZVQOY-UHFFFAOYSA-N
+COC2=C1C(=NC=CC1=CC=C2)NCCC[N+](C)(C)C,B6B93D4DDFF29784_A175609472058E2E_6041_UN,8.260567,00000000000000000000000000000010000000100000000001000000000000000100000000100100101001100010010001101100110010011101101001100111000001010110011101011101110111101111110,HOFRBKWQYNQLRA-UHFFFAOYSA-N
+C2(=C1C=COC1=CC=C2)NC3=CC(=C(OC)C=C3)[S](=O)(=O)N4CCCCC4,16B8EBBF62D71BA9_AD8C0A082C0EA7AF_6041_UN,8.260378,00000000000000000000000000000000110000000000000000010001011111001001000001010000010100101100011011101110011000011100011011101111111001011110101111111011110011111111110,ZIJGJAOTEIDKSF-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=CC(=C2)Br)CC3CNCCC3(F)F,E8DBC90824610B90_80C91D256E885EED_6034_UN,8.260264,00000000000000000000000000000000000000000010001000000000000000000110000000110000101111110011000010101100110100011001001011100100110100100110001001011111010110101111010,RUVFVPLOSKFKLA-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=CC(=C2)F)CC3CNCCC3(F)F,F18F29E5DAFF2962_2C8B983D85B1B224_6034_UN,8.260243,00000000000000000000000000000000000000000010000000000000000000000110000000110000101111110011000010101100110100011001001011100100110100100110001001011111010110101111010,KORYMYKGDRTUOU-UHFFFAOYSA-N
+CC1(CC(CC1)(N)COC3=CC2=C(CCNCC2)C=C3)C,7A5D14136FF7BC69_CC874D21D37D4BFE_6035_DP,8.260169,00000000000000000001000000000000000000000000000000000000000000000010000000100000001010100011000110001100110011011101101001000011110101000110001110010101110111101111110,NWHBABQHUIVKST-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=C(C(=C3)F)F)F,1BCA8618872255ED_3BD998B9450CA235_6035_UN,8.259749,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,ZYYBTUWNNOUEKE-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=C(C(=C3)F)Cl)Br,91AF23DE7AC5E4D2_AF86F32CF63FB4FE_6035_UN,8.259737,00000000000000000000000000000000000000000010001000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,FWVPCCVSKLFGHU-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=C(C(=C3)Br)F)Br,FAF5A873BC87D908_ED65D28641E93369_6035_UN,8.259736,00000000000000000000000000000000000000000010001000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,BRHOCESEEAUJTA-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=C(C(=C3)F)Br)F,DEA5C344AD0B746C_79CCAE990CCC843E_6035_UN,8.259733,00000000000000000000000000000000000000000010001000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,NQBXKSWSFUHCSJ-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=CC(=C(C(=C3)Br)Br)Br,FED0A72DC35E07B6_AE1FA97B0E63A8D8_6035_UN,8.25973,00000000000000000000000000000000000000000000001000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,LHOSSNCJDKYNAV-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)NC2=CC3=C(C=C2)C(=O)CC3)F,B6F60EE05EC3A67C_D43CE001B94080B0_6041_UN,8.2597,00000000000000000000000000000000000000000010000000000000000100001000000000000000010000011001010010000100010100000000001000000101000011110000000111010011101010101111110,DGQKURJBFBQPKY-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NC(=O)N2CCC3=C2C=CC=C3)CN(C)C,D2B773F3B0477D6D_1CD94F9CC25495EB_7022_UN,8.259174,00000000000000000000000000000000000001000000000000000000000000000000000000110100100101100011010010001100011000110101011001100111000001010110011111011111111111111111110,PDTITXQJMQXQGO-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)C=CC=C2)NC3=CC(=C([S](N(C)C)(=O)=O)C=C3)C,8821D6132ADE8F75_A1281C296EBDA227_6041_UN,8.259118,00000000000000000000000000000000110000000000000000010001001111001001000001100000010000101000011100000110011000001100010000101111001001011000011111101111100011111111110,HTTPDBHIPLZMLK-UHFFFAOYSA-N
+CCOCC(C)OC2=C(CN1CCCC(N)C1)C=C(C=C2)Cl,FD06A9745382FD18_FA4B0092F5BDF9A1_6035_UN,8.259024,00000000000000000000000000000000000000000000000000000000000000000000000010010001000011110011000001101001100111010111101001100011110011100110001111011111110111111111110,QUSKDQBUYDNEHQ-UHFFFAOYSA-N
+FC1=C(C=CC=C1)C2=C[N](C(=N2)C3CCCN3)CC4(CNC4)C#N,4F4B674F60FAC492_1B433A67300F8E85_6034_DP,8.258655,00000000100100000000000000000000000000100110000000000000000000100110000000010101101101110011000010001000100100011000001011100100110100100110001010011011010110100111010,VZOVIKVYLJCJOB-UHFFFAOYSA-N
+C[Si](C)(C)OCCCNC(=O)C1=CC=C(S1)C2=CC3=C(C=C2)OCCO3,39ECCED08080C80C_F8A3DA700757A3AB_6038_UN,8.258236,00000000000000000000100000000010000010000000000000000000010000100000000010100000011100101010110011101110110011111100111010001110000010000110110011111101111111111111110,SILMOXIXNJYDRI-UHFFFAOYSA-N
+C[C@H](COCCC1CCN(C)CC1)C2=CC3=C(C=C2)OCO3,36F1AEF9B1503C69_C24639B067CFB443_6039_UN,8.258055,00000000000000000000000000001000000000000000000000000000010000000000000010010000000101100000010010101100010011010101101011110010110010000110000011111100110101111111110,WUSYOHGQDBYJAV-CQSZACIVSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=C(C=CC=C3)CCBr,6660DCFD1EF20720_1C0BE9A4B911D6AD_6035_UN,8.257507,00000000000000000000000000000000000000000010001000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000111010011110101100111110,CDIIWXMEPSGELU-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)COC3=CC2=C(C=N[NH]2)C=C3[N](=O)=O)CC=C,AF55F0276FEE0FFF_6AADC94AA76860C0_6003_UN,8.257322,00000000000000000000000010000000001000000000000001001000100000010100011100000000100100000100011111010110010011000100000111101111101001010100101111101011110111111111110,NMHSQZIUEORWIC-UHFFFAOYSA-N
+CC4CC1=C(C(=CC=C1)NC2=CC(=C(C(=C2)F)N3CCCCC3)F)O4,AAF36EDB3C4D589B_76472FFAD26E33BB_6041_UN,8.257123,00000000000000000000000000000000000000000010000000000000010000100000000000010000000101110001000110101100010100010101001011100100110011110110001011011011110011101111110,CIASKNFNDNDKAE-UHFFFAOYSA-N
+O(CC1CCN(CC(F)F)CC1)CC3=C(OCC)C=C2CC(OC2=C3)C,E21ECF4A19D50379_6302E51307FBFDFB_6039_UN,8.257045,00000000000000000000000000000000000000000010000000000000010000000000000000010000000101100100000010101100010101010111001011100011110010100110000111111110110101111111110,HXCNJSXNSAZQKG-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC23CCC(CC2)N3)C=CC=C4)C5CCNCC5,438CDE3B46E66B51_5D87452D8B0B2933_6034_UN,8.25704,00000000000000000000000000000000000000000000000000000000000000100110000000010001001101100011000010101100110010011000101011100100110100000110001011011011010110101111010,DWRXGXZCFHSVPC-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NC2=CC(=C(C=C2)N3CCCC3=O)C,2E8A816886D6A0A9_F0ED5F553E77CD3C_6041_UN,8.256915,00000000000000000000000010000000000000000000000001000000100000110000001100010000000101000000111111001010000010110100011101101111011011011100101111111111111011111111110,FCWCYNWXTBYIDC-UHFFFAOYSA-N
+FC(F)C[N]1N=CC=C1C=CC3=C(N(C)C2CCCC2)C=CC(=C3)F,12E7F5ABE4650B0F_803E2D3719326A7D_7019_UN,8.256902,00000000000000000000000000000000000000000010000000001000000000000100000000010000100101010000011010011000000110010000101011101100010001110100001010011010010110101111010,VLNPKEPGXPGVNO-UHFFFAOYSA-N
+FC2=C(C=C1C=COC1=C2)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,55001ECB9143D2A7_187EB33577816E7E_6041_UN,8.256838,00000000000000000000000000000000000000000010000000000000010000100000000000010000101101110001010110101100010111010001101011100100110011110110001011011011110111111111110,ABZAEURXQFBXEW-PMACEKPBSA-N
+COC1(CC5(C1)CNCC(OC2=CC4=C(C=C2)C3=C(COCC3)C(=O)O4)C5)OC,F8D3D04A539EAF56_CE8D9BB61CE961AA_6035_UN,8.256481,00000000000100000000000000000000000000000000000000000000010000000010000000000000001000100110010100101100010001001100101011010111110010000110100111110101111001111111110,XGNYPQKERYCHTK-UHFFFAOYSA-N
+O(C3CCN(CC1CCCC2=C1C=CC=C2)CC3)CC4=NC(=C(O4)C)C,D6B0213A61ABEE72_A6F5F818052BEDFA_6039_UN,8.256461,00000000000000000000000000000000000000000000000000000000010000000100000010010000000101100000100111101100010011110000011011100111110010000110001111011110110111111111110,WURHEACMDQFIKF-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC3=C2C=C(C=C(C2=NC=C3)F)F,870D78914226DF3E_85F7AB89BCDE07CC_6035_UN,8.255447,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001110000010101100100010110010100101001100111110011100100001101011110100011101111110,FHPJWKIGPYCKFK-GDBMZVCRSA-N
+C1(=C(C=CC=C1)C2(CC2)C#N)NCCCC(OC)(C)OC,4781EC3252D7B1DF_011C511DBD8205F4_6041_UN,8.255132,00000000000000000000001000000000000000000100000000000000000000100010000000000000001000000011010000001000100010011001101000010010000011010000011010010111110111111111110,DSYWDBNKQWJLSG-UHFFFAOYSA-N
+CC1=C(C=CC=C1)CC2(CCNCC2)OC3=CC=C(N(C)C)C=C3,4BF4CB6567B8CA6A_3F211AD1A487AF8E_6035_UN,8.254767,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100001010001101000100000011100101001100111110011010110011111011111110111101111110,PEJDXDJQBULEDP-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCCC3=CC=C(N2CCNCC2)C=C3)[N](=O)=O,6BF0DD430A7E26FC_4ADC4C8B41541D39_6041_DP,8.254749,00000000000000000000000010000000000000000000000001000000100000110000001100010001001001100001011001101010100000010100001111101111111101010110001111111011110111111111110,ISZZJFNWGMKYJR-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC(=C1)F)CNCC2)CC3=CC=C(C=C3)C#N,6600489F6E2235C9_C385155BFE8A7574_6031_UN,8.254741,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000110001000000101100110101010000001001010110110000100110001011010001011101110111110,RKHVNDYHPOOGJX-UHFFFAOYSA-N
+NC(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C=C2[N](=O)=O)C)C)F,ABB797619BDAD1C2_96C72B8D6CAB1D52_6041_UN,8.254523,00000000000000000000000010000000000001000011000001000000100000010000001100000101000010010000001001000010001100100000010100101100001101111000001011101111001010111111110,UMBDETKEQJSYJJ-UHFFFAOYSA-N
+CSCC1=CC(=C(C=C1)Cl)N[S](C2=C(C=CC(=C2)OC)CBr)(=O)=O,43E5EB66010BB340_08D58EE468DE6814_6029_UN,8.254447,00000000000000000000000000000000110000000000001000010001001111001001010001000000010000111001011000000011001100001101010000001111001001111010000111101111110111111111110,DHBBXJMGAYBFHO-UHFFFAOYSA-N
+CC[N+](C)(C)CC1=C(C=CC=C1)NCC2(OC)CCNCC2,D277DEF5377EAA5C_8AD01682FC236ED9_6041_DP,8.253972,00000000000000000000000000000010000000000000000001000000000000000010000000100000101001100011010101101000100010011011101001100011110111010110011111011111110111101111110,RUCJYLZGXQZVLZ-UHFFFAOYSA-N
+CC(OC1=CC(=C(C)C=C1C2CNCC2)Cl)CCCN(C)C,B21311FF3C15BA93_72CE5F3EC58E6B5F_6035_UN,8.253939,00000000000000000000000000000000000000000000000000000000000000100000000000100000001101110011010010001001100110010101101001100011010010100110011110011111110101101111110,BKHYUZWUADYCIT-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C#N)NC2=C(C=CC(=C2)OC)C3CC3,067EF44B6E15187F_19165E2D312BEF9F_6041_UN,8.253674,00000000000000000000001000001000000000000100000000000000000000100000000000000000000000100001010101000000000001000101000000010111000001010000001111110111110111111111110,DGKUEXFMZXJEBI-UHFFFAOYSA-N
+COC3(CC(COC1=CC=C(C=C1)C2=NC=CS2)(CN)C3)OC,2938154DB8D00ACC_5D8CEC3283742ACF_6035_DP,8.253665,00000000000100000000000000000000000010000000000100000000000000100110000000000000011110001010010011001000000001001100100011010111100010000110001100100101110111111111110,KPJNQQPYHHGWTR-UHFFFAOYSA-N
+C[C@@H](OC1=C(C(=CC=C1)Br)CC=C)C2CCC(C)(C)CC2,D26D3AD397531832_54026006AAA8D4C1_6035_UN,8.25327,00000000000000000000000000000000001000000000001000000000000000000010000000100000000000010000000000010000000110001101101000000011110000100000010111010110100101001011110,TVGKXWXVKIMYOH-CQSZACIVSA-N
+N(C1=C(C=CC=C1)C2=CC(=C(C(=C2)F)F)F)C(C3CNC4(C3)CCCC4)=O,BE97A7FB9ADB08E0_0265CD8ACF577775_6038_DP,8.253072,00000000000000000000000000000000000000000010000000000100000000100010000000000000101100010011100011001000110100111000011001000100110101110100001011010011011010100111110,BWYUFBJAXKTQMM-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C(=O)CC2)N(C)CC3=CC4=C(C=C3)OCC4,CE1A6A8DA0B307AE_3AEB939E568BC84B_6026_UN,8.252992,00000000000000000000000000000000110000000000000000010001011111001001000001000000010100101000011010001110011001001101011000101101101010001110100111111000111111111111110,RZJMPJKAXWOHBV-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)C(=CN2CC(C)(C)C3CCCN3)CC#N,A4D1106C0FEB909B_80BEF8BADCE1A94A_6034_UN,8.252925,00000000000000000000000000000000000000000100001000000000000000000110000000110000101101010011000010001100110110011001101011100100110000100110001000011101010110101111010,BCGHBEQDIMNIPT-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC(C)(C)C3CCCN3)CC#N,E6064C63A58C8FA6_42115B1759DFAA09_6034_UN,8.252918,00000000000000000000000000000000000000000110000000000000000000000110000000110000101101010011000010001100110110011001101011100100110000100110001000011101010110101111010,FPRQIVKJXPFEQX-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)C(=CN2CC(C)(C)C3CCCN3)CC#N,DC5CF8DF23A753F1_BBEC29FB785CFB16_6034_UN,8.252906,00000000000000000000000000000000000000000100000000000000000000000110000000110000101101010011000010001101110110011001101011100100110000100110001000011101010110101111010,PXZNWWYIVUBQGH-UHFFFAOYSA-N
+C1(=NC=C(O1)C2CCC2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,DA0C996F9F0DA6CE_0572559D5BDDA214_6041_UN,8.251959,00000000000100000000000000000000000001000010000000000000010000100100000000010101100101110011010110001000101110110001111011100100000001110100001010011011110010101111110,BFMAEKKHQSYTFE-WBVHZDCISA-N
+NC[C@@H](OC1=CC(=C(C)C=C1C2CNCC2)Cl)CN4CCC3=C(C=CC=C3)C4,AF676BC7CAE18632_9CC8E8EA324BA4CB_6035_UN,8.251758,00000000000000000000000000000000000000000000000000000000000000100000000000010000101111110011000110101101110100010100001011100111110110100110001111011011110101101111110,JWDIMXKVYOOPBP-ROPPNANJSA-N
+N(C1=CC(=CC=C1)C2=CC3=C(C=C2)OCC3)[S](C4=C(CCl)N=CC(=C4)Cl)(=O)=O,5775301E48968302_9E43F56CCD34D057_6029_UN,8.251614,00000000000000000000000000000000110000000000000000010001011111101101010001000000110100011001001011100111011101011100011011001100001011111110001011111011110111110111110,ORILCRANLXIRAO-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=CC(=C(C=C3)F)NCC(F)(F)F,786F22C2617A1AAF_84FE02FE93599603_6035_UN,8.251435,00000000000000000000000000000000000000000010000000000000000000100010000000000000001100110011000111001000101100011100001001000111010111110110001111010011110111100111110,DSRRCLXHSOTVPG-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)F)NCC(F)(F)F,4D9C0E036ADE01FB_A394E9CB1F0828D7_6035_UN,8.251413,00000000000000000000000000000000000000000010000000000000000000100010000000000000001100110011000111001000101100011100001001000111010111110110001111010011110111100111110,RFFLPLGQXJMULA-UHFFFAOYSA-N
+N(C1C2=C(CC1)C=CC(=C2)F)C(=O)CC3=C[NH]C4=C3C=C(C=C4)F,2D1E6CA770D3E39E_4034F29B1AF2F729_6038_UN,8.25121,00000000000000000000000000000000000000000010000000000000000000000100000000000000000100010011100010000100110100110000011001000100100111100100001011010001001110100111110,UXIKKWVVTGLXQP-UHFFFAOYSA-N
+CC(C)(C)C3CC(OC1=CC(=CC=C1)CN2CCNCC2)CCO3,C29B2473102D5B37_07EF1026E0A9C1D7_6035_UN,8.25113,00000000000000000000000000000000000000000000000000000000010000000010000000110001001001100101000000101000100011011100101011100011110010000110011101011101110101111111110,JFDNUAQACRTIIM-UHFFFAOYSA-N
+O(CC1CCN(CC(F)F)CC1)CC2=C(C)C=CC3=C2C=CC(=C3)C,3ACCA2E17719E7BD_587F8CAEFD1098CC_6039_UN,8.251048,00000000000000000000000000000000000000000010000000000000000000000000000000010000000001100000000000101100010101010000101001100110110000100110000011011110010101101111110,WEZRVRKEZNNPFJ-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)N2CCOCC2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,895C637EDD807D0F_7BD6D54125D5C7A6_6029_UN,8.250932,00000000000000000000000000000000110000000100000000010001011111101001010001010000110001101000011100101010001001011100011011101111111011011110101111111011110011111111110,BPBUMBHBENJDQM-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)N[S](C2=CC(=C(OC)C=C2)C#N)(=O)=O)C,D61CEBC1850EC1DC_1E54F489B0F521BE_6029_UN,8.250919,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000001000011001000010001000001100010000001111001001011000011111101111100011111111110,UGAIXQPZIQHBRF-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CC2)C#N)NCC3(OCCNC3)C,BAE27F6A28397D9A_87FC493EE10E9391_6041_DP,8.250813,00000000000000000000001000000000000000000100000000000100010000100110000000000001101000100011000100101000100011011001101011000000110111010110001001010001110111101111110,GLNIXEHXRVGWGV-UHFFFAOYSA-N
+BrC1=C(C=CC=C1)C3=NC2=C(C=CC=C2)[N]3C[C@@]45CCCN[C@H]4CCCC5,2D2FA7A84C9630A3_DDC9D27107FD5400_6034_DP,8.250627,00000000000000000000000000000000000000100000001000000000000000100110000000010101101101010011000010101100110100011000001011100100110000100110001011011011010110100111010,XOAIWPJWMCLQOM-JTHBVZDNSA-N
+FC1=C(C=CC=C1)C3=NC2=C(C=CC=C2)[N]3C[C@@]45CCCN[C@H]4CCCC5,CF778344061536A2_1D1D4F04252AC126_6034_DP,8.2506075,00000000000000000000000000000000000000100010000000000000000000100110000000010101101101010011000010101100110100011000001011100100110000100110001011011011010110100111010,ZPIZVIFXRPRFFI-JTHBVZDNSA-N
+ClC1=C(C=CC=C1)C3=NC2=C(C=CC=C2)[N]3C[C@@]45CCCN[C@H]4CCCC5,494E6083EDD01F31_0B73F1F2C544634C_6034_DP,8.250589,00000000000000000000000000000000000000100000000000000000000000100110000000010101101101010011000010101101110100011000001011100100110000100110001011011011010110100111010,INZRQKMZPFDIQE-JTHBVZDNSA-N
+CC1=CC(=CC=C1)N4CCC(OCC2CNCC3(O2)CCC3)CC4,5FD3396E50436AE7_AC6308A992733C0F_6039_DP,8.250493,00000000000100000000000000000000000000000000000000000000010000100010000010010000001001100011000101101000010001011000001011100011110011010110001101011001110111111111110,RUJQOAOFFJAGSY-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SCCC2)N(C3=C(OC)C=CC=C3)[S](=O)(=O)C4=CC=C(C=C4)F,DDF480F95F1FDEA6_5A9ACD2064607D10_6043_UN,8.250102,00000000000000000000000000000000110010000010000000010001001111001001000001000000010000011000011100100110011100001100011000101111101001111100000111111010110011111111110,BNIOXINFJFZQKZ-UHFFFAOYSA-N
+C1(=C(C=CC=N1)Cl)N(OC)C2CCCOC3=C2C=C(C=C3)C,9711A3282461BCB5_1347F432658D88A8_7022_UN,8.249897,00000000000001000001000010000000000000100000000000000000010000000100000100000100000000010000011101100111010111010100001011101110000011110100001011011110110011111111110,ORNADHANCUQEHF-UHFFFAOYSA-N
+COC1=CC(=CC(=C1)F)NC[C@H]2[C@H](CCNC2)C3=CC=C(C=C3)F,69283B0D49D5AAA9_03D019810E2D4DE0_6041_DP,8.249677,00000000000000000000000000000000000000000010000000000100000000100000000000000000101000110011010001101000100100010100001001000111110101110110001101010011110111101111110,IGTSBUSGXFQOGH-IFXJQAMLSA-N
+N1CCC(CC1)C(OC2=C(C=CC=C2)CC#N)C3=CC(=CC=C3)Br,882ED02E9CBD9A27_B1E108DBAECE619F_6035_DP,8.249457,00000000000000000000000000000000000000000100001000000000000000000000000000000000001000110001000000101000100100010100001001000111110000100110001111010011110101100111110,OPLRAMQWKXDLPK-UHFFFAOYSA-N
+COCC3(OCC1=CC2=C(C=C1)C=CO2)CCNCC3,E5522FD3E387D730_321454B9FBD10ED8_6039_DP,8.248979,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100001010011101100110011011001001011000111110010000110000101110001110101111111110,IRECNXRMEXFOCJ-UHFFFAOYSA-N
+CC1=C(C(=CN=C1)[N](=O)=O)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3,97B272B9AAA72A43_3BA3E4DD39D4EF95_6041_UN,8.248827,00000000000000000000000010000000000000000000000001000000100000010100001100000001101000000100011001101010000010000100000101101111001001010100111111101111110111111111110,KVFMBMAGFOZPBO-UHFFFAOYSA-N
+CC(C)(C)C1=CN=C(N1CC=CC2=CC(=C(C=C2)F)F)C3CCNCC3,EC20A776246F483B_D256D7B652FC256C_6034_UN,8.248571,00000000000000000000000000000000000000100010000000000000000000100110000000110101001101110001000010111000100110011000001011100100110000100110011011011111010110101111010,YCXFYFDVWMIRKQ-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)NCC2(CCNC2)C(C)(C)C)C#N,DEC535D23DA3631F_D7573329969B12E1_6041_DP,8.248533,00000000000000000000000000000000000000000110000000000100000000000010000000100000101100110011000010001000100110011000101001000000110101110110011010010111010110101111010,PPFSQHBVGNZYLP-UHFFFAOYSA-N
+C2(=C1N=CC(=C[N]1N=C2)C#N)NC(C)(C)C3=CC4=C(C=C3)OCCO4,BB1919826AE4A3BB_117130FB6714E028_6041_UN,8.248503,00000000000000000000000000000000000000100100000000001000010000000110000010100101100100000000001010100100010001001100001011101100000011010110001011011101110011111111110,LDRMVSIHUTTYAS-UHFFFAOYSA-N
+COCOC1=CC(=C(C=C1)NCC2C[Si](C)(CC2)C)F,40C06E8C31930DA7_279190884EB600BB_6041_UN,8.248494,00000000000000000000100000001010000000000010000000000000000000000000000000100000001100110011010010001000000111001101101000010011110001110110010110011111110111111111110,VKNCKODOSPGGGT-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=C(C=C(OC)C=C3)[S](=O)(=O)C,A8B846DD75A28C18_685C6B976207CB60_6041_UN,8.248418,00000000000000000000000010000000000000000000000001010001101111111001001101010001110101001000111011001010000000111100011101101111011011011100101111111111111011111111110,OBHMEWVTSXDHGR-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)[S](=O)(=O)NC3=CN=C(OC2=CC=CC(=C2C)C)C=C3)C#N,EA64BAFE5F211AD4_2259F16B13FC8269_6026_UN,8.24814,00000000000000000000000000000000110000000110000000010001001111001101010001000001010000011000101000100010001100101100010001001111001001111100001111101111100011111111110,ZUSGZZCMSSJSCH-UHFFFAOYSA-N
+ClC1=C(C=C(C=C1)[S](=O)(=O)NC3=CN=C(OC2=CC=CC(=C2C)C)C=C3)C#N,A84D9DE2445CFE55_53ADBFCCB1D3D151_6026_UN,8.248134,00000000000000000000000000000000110000000100000000010001001111001101010001000001010000011000101000100011001100101100010001001111001001111100001111101111100011111111110,IRAHDWZXNMFNAI-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)OCC2=C([S](C)(=O)=O)SC=C2)C3,AF95B5AB59EEE4CB_90E8B7D4E430AE94_6039_DP,8.248034,00000000000000000000000000000000000010000000000000010001001111001001000001000000011100101001010010001110010011001100000011001111011000001110000110101011110101111111110,PQYNMQCOJANOTP-UHFFFAOYSA-N
+C1(=CSC(=C1)CC#N)NC3CCN(C2=CC=C(N(C)C)C=C2)CC3,3789F396D74D476C_187252F37AA97F79_6041_UN,8.2476015,00000000000000000000000000000000000010000100000000000000000000100000000000110000110101101011010010101000100000010000001011100100110001010110001001011101010110101111010,UHJYKNGXXIBVRZ-UHFFFAOYSA-N
+N3CCC1(CC1C=CC2=CC(=C(N(CC)CC)C=C2)F)CC3,15B33E3285CF2071_4AC3314EB0C59A69_7019_DP,8.247221,00000000000000000000001000000000000000000010000000000000000000000010000000000000001001110001000000111000110100011010101001100000110001110110001011011111010110101111010,RXTAJVDRMGFRAP-UHFFFAOYSA-N
+COC1=CC=C(C=C1)CCCNC(C2=C(CC)C=C(C=C2)[N](=O)=O)=O,768DAF9D5238ADF6_88094AE7D1661087_6038_UN,8.247008,00000000000000000000000010000000000000000000000001000000100000010000001100000000001000000011111000001010100000110110011100101111001001011000101111111111111111111111110,YIBROOSZAFBSPO-UHFFFAOYSA-N
+CC1(C)OB(OC1(C)C)C2=C(C=CC(=C2)N[C@@H]3COC[C@H]3OCC)C4CC4,F83A816D3453C605_4DE5B87980EDE94B_6041_UN,8.246762,00000000000000000010001000000000000000000000100000000000010000100010000010100000000100100111000111000010100011011010000010001011111011010110110110111111110111111111110,CYRSWJNIBHLZLQ-RTBURBONSA-N
+N(C1=CC2=C(C=C1)COC2)C(C3=C(N(C)C)C=CN=C3)=O,9AB8D04EBD220748_FFC2050AFE84E925_6038_UN,8.246287,00000000000000000000000000000000000000000000000000000000010000000100000000100000100101100001110011100100010001100000010011100100010001010110001011001111011011111111110,PQMSAENMDMIOLJ-UHFFFAOYSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NCC3C(CCNC3)(C)C,01D73EBD5596A49F_F9FD25745FC02C14_6041_DP,8.246285,00000000000000000000000000000000000000000010000000000100000000000110000000100001101000110011000000101100110110011001101011000100110101110110011011010111010110101111010,INUQSSSZEAHEOK-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC4(CC#N)CC4,598F1134F727A5B5_4CCC064D209193C8_6034_UN,8.246014,00000000000000000000001000000000000000000100000000000000000000100110000000010000101101100011000010001100110000011000001011100100110000000110001010011011010110100111010,CZKYOZVHDPQCEG-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)C#N)N2CCCC2)NCC3(CNC3)C,2EB04D9322A22763_A2E636E6CF563596_6041_DP,8.245892,00000000100100000000000000000000000000000100000000000100000000100010000000010000101101100010000010001000000000011001001011100000110101010110001000011001010110101111010,UHANOSPFRFDFKK-UHFFFAOYSA-N
+CC4(C)CCC1=C(SC(=N1)NCC3=C(CN2CCN(C)CC2)C=CC=C3)C4,08FC8F75273DF250_5F564DABFD8773C6_6041_UN,8.245772,00000000000000000000000000000000000010000000000100000000000000000110000000110101011101101001010010101100011000011001101011100100110001010110011011011111010110101111010,MFFKYCNXTSEMSG-UHFFFAOYSA-N
+CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CC(=CC(=C2)F)C3CCCNC3,6F06EE96922B2042_6C9DF723DE480B4C_6035_UN,8.2456665,00000000000000000000100000000010000000000010000000000000000000100010000000100000001000110111010000101010100111011100001001001011110010100110010101011111110101111111110,PJHRZJKDVMUKQI-HXCXSPQYSA-N
+ClC1=CC=C(C=C1)N2C=CN(C2=O)CC3(CCNC3)C4=CC(=CC=C4)F,40FBEFBE88C6BCFA_42F81F94C70FD9D4_6034_UN,8.245655,00000000000000000000000000000000000001000010000000000000000000100110000000010101101101110011000010001001101100111100011011100101110001110110001111011011011110100111110,PLDXXPWYLLCSRV-UHFFFAOYSA-N
+BrC1=CC=C(C=C1)N2C=CN(C2=O)CC3(CCNC3)C4=CC(=CC=C4)F,EE7F26FA47A22D46_3E5C15A52DB3C750_6034_UN,8.245644,00000000000000000000000000000000000001000010001000000000000000100110000000010101101101110011000010001000101100111100011011100101110001110110001111011011011110100111110,XPICVWIFTSTNGA-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC2=C(OCCC)C=C(C=C2)C,749E9F7D72258F22_DF94C6CA1146F8BA_6041_UN,8.245405,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000001011101100010000001000111001101101111001011010100111111111111110111111111110,AMIAUDJXHPILNN-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3=NC4=C([N]3C)C=CC(=C4)F,33EBA3DA8D2A08D3_EC15D339E4BBB395_6041_UN,8.245272,00000000100100000000000000000000000000100010000000000000010000100110000010010101001101110000010010001100010101011000100011100111000011110110001111001111110111111111110,NBTUGMWOWHHOLT-UHFFFAOYSA-N
+COCCC3(COC2=CC1=C(C(C(C)(C)C)NCC1)C=C2)CC=CC3,8CCE3853C091DDC5_73EA8238B1961AA3_6035_UN,8.244912,00000000000000000000000000000000000000000000000000000000000000000010000000100000001000100001010010111100110011011101101001000011010010000110010111010101110111111111110,DNKHQUNQVHFRPL-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(N=CC=C1)C#N)NCC3(C2=CC=C(OC)C=C2)CCC3,54495CAD8A6EFEA0_ACCCD168BBEE335C_6026_UN,8.244848,00000000000100000000000000000000110000000100000000010001001111101111010001000001111000001011011001101010001000001100011001001111111000001100001111111011110111111111110,JELVBWMKHHWCKX-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC2=NC(=CC=C2)C#N)NC3=C(C=C(OC)C=C3)[N](=O)=O,04FE103916D1C1AA_26884E09F7705EFA_6041_UN,8.2445135,00000000000000000000000010000000000000000100000001000000100000010100001100000001000000000000111001100010000000100100010101101111001001010100101111101011100011111111110,MQZIIJQAFUYHCF-UHFFFAOYSA-N
+O([C@H]1CO[C@H]2OCC[C@@H]12)CC4=CC3=C(CN(C)C3)C=C4,A0C6227DC12A5BD4_3D487DCA220B38D4_6039_UN,8.244448,00000000000000000000000000000000000000000000000000000000010000000000000010010000000101100100010010001100010001000001001011110011110010000110000110111000110101111111110,KUGXAQCTJRQMLT-HRCADAONSA-N
+COC1=C(C(=CC=C1)[S](=O)(=O)NCCC2=CC=C(CN(C)C)C=C2)OC,535962AF370AC3EA_73F7244DF79A2B46_6026_UN,8.244347,00000000000000000000000000000000110000000000000000010001001111001001010011100000011001101100011001001010101000011101011000101111001000001010111111111111110111111111110,STPUNDZDAJLNIO-UHFFFAOYSA-N
+COC(=O)C1=CC2=C(C=C1)C=CN2CC4C(C3=CC=C(OC)C=C3)N(CCC4)C,FB4716F4297C204F_43CC4B7F61274DEC_6034_UN,8.243671,00000000000000000000000000000000000000000000000000000000000000100100000000010000100101100000010010101100010010010101101011110111110000000110011101111110111111111111110,GJDCPVZEVKCUAU-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3)C4,456304C94D68B48C_0DA613265BC64A15_6041_DP,8.243572,00000000000000000000000000000000000000000000000000010001001111001001000001000000011000101011010000101110110000011100001001001111111101011110001111111001110011111111110,FOZXCFOZJOVFOW-UHFFFAOYSA-N
+C(C1=CC(=CC=C1)CN2CCOCC2)=CC3=CC=CC(=C3)OCCCOC,B6401817E0843A11_BCD4AD58508B1C5E_7019_UN,8.243289,00000000000000000000000000000000000000000000000000000000010000000000000000010000000001100100010100111000000011010101101011100111110010000110000101111000110101111111110,CMCXUUSYJVBGFV-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)O[C@@H]7CC6=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC=C4C5=CN=CC=C5)[C@]6(CC7)C,B9A39304BC2D3A05_BA2437DB18EA7064_7022_UN,8.243112,00000000000000000000000000100000000000000000000000100000000000100110000000001000000000010000000010110101010110001101101001000111110010100100000111010110100001001111110,PADWNYHNWWEYRG-LWFJPMDISA-N
+CC1=C(C=C(C=C1)CC#N)NCC(C2CCNCC2)F,A8996F7299D8641F_60F786617DE2E39D_6041_DP,8.242989,00000000000000000000000000000000000000000110000000000000000000000000000000000000001000100001000000101000100110010000001001000000110101110110001011010011010110101111010,IFHDCLRLMQCEAA-UHFFFAOYSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=CC(=CC=C2)C3NCCCC3,787C3518B8800095_7D6395C7E25EA6DC_6035_UN,8.242966,00000000000000000000000000000000000000000000000000000000000000100000000000100001101101100011010111101000100010010100101011100011110111000110001101011111110011101111110,GNPMUTHAWNVBED-YJEKIOLLSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CC=C(Br)CC4,D107829BE7176CED_14A8D9F59763A1C3_6026_UN,8.242868,00000000000000000000000000000000110000000000001000010001001111001101000001011000010000111000001100111110011100011100011011101111111000101110001101111000110011110111110,YJAOHGRUQBMZEM-UHFFFAOYSA-N
+CN(C)C[C@H]3C[C@@H](OC1=CC=C(C=C1)C2=NC=C(Br)S2)CN3,BA2DB4BCAF92CD01_C98107344795D259_6035_UN,8.242401,00000000000000000000000000000000000010000000001100000000000000100100000000100001011101111011010111001000100110010101000011100111110010100110001100001101110111101111110,FZZVLWXZXPXKHR-TZMCWYRMSA-N
+COCC2(OCC(C1=CC=C(C(F)(F)F)C=C1)(F)F)CNC2,40AE1BA8ED10CE8F_DB7ABAE509FC2DF4_6039_DP,8.242056,00000000100100000000000000000000000000000010000000000000000000000010000010000000001000100011010101001000001111001001000001000011110010100110000100000001110101111111110,DLUTWCJWHKEWAZ-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CC(C)CC2=CC=N[N]2C)C=CC(=C3)Br)C4,2481DF75CE64547E_7463EEAF515B1424_6034_UN,8.241848,00000000000000000000000000000000000000000000001000001000000000000110000000110000100101010000011010001100010100011001101011101100110000100100011011011110010110101111010,QVLKGOYNLAPDCZ-UHFFFAOYSA-N
+CC1=C[N](C)C(=N1)NC2=C(C=CC(=C2)F)OC3CCCCC3,A3718426D8609E15_7D9376EB955D22F8_6041_UN,8.241797,00000000000000000000000001000000000000000010000000000000000000000100000000010101000101010000010110000000001100000100001011100111110011110100001111011111100011101111110,SWZMTQUMCJCUCG-UHFFFAOYSA-N
+COC1=CC2=C(C(=C1)NCC(C)(C)CC#N)N=CC=C2,BCD621A19C9FD4F8_BCE52A0E28646558_6041_UN,8.241594,00000000000000000000000000000000000000000100000000000000000000000110000000100001001000000010010001101100010000011101000001000111000001010100011101000101110111101111110,YCKABJWKTJWFKY-UHFFFAOYSA-N
+CN(CC2=NC1=C(C=CC=C1)N2CC3=C(C(=C(C(=C3F)F)F)F)F)C4CCNCC4,8CD55494CEBBA47F_36B3FFBD9013897B_6034_UN,8.24103,00000000000000000000000000000000000000100010000000000000000000000100000000010101101101110001010010101100110110010001101011100100110001100110001011011011010110101111010,PSCPXRIQLBJUAI-UHFFFAOYSA-N
+CN(CC2=NC1=C(C=CC=C1)N2CC3=C(C(=C(C(=C3F)F)Br)F)F)C4CCNCC4,399D24CE3554ADE9_1C8B0177471A812B_6034_UN,8.241017,00000000000000000000000000000000000000100010001000000000000000000100000000010101101101110001010010101100110110010001101011100100110001100110001011011011010110101111010,JFJCCKPQKVUOCS-UHFFFAOYSA-N
+O(CC1CCC=CCC1)CC2=CC(=CC(=C2)C3=C(C(=C(C(=C3F)F)F)F)F)F,E15CD0177DF74FCC_EE1B011191BD8C15_6039_UN,8.240913,00000000000000000001000000000000000000000010000000000000000000100000000000000000000000110000000000010000000101000000001000000110110000100010000011010010010101000011110,MWQSAKKVXFXGFB-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NCC2=NC(=CS2)C3=CC=C(OC)C=C3)C#N,1EA04687D5301322_760CE0A5F65AF086_6026_UN,8.240679,00000000000000000000000000000000110010000100000100010001001111101101010001000001011100001000011010001010001000011100010011001111001000001100101111101111110111111111110,OHFBVRZFERRIPG-UHFFFAOYSA-N
+CC(C)(C)C1=CC(=C(N=C1)NCC2=CCCOC2)C#N,ADD894112F277BA1_709909830D7DB64A_6041_UN,8.240611,00000000000000000000000000000000000000100100000000100000010000000110000000101100101000100011000001111000000001001000001011000000110011010110011011010111010111101111110,BLSAPQGCWCFUOK-UHFFFAOYSA-N
+[S](=O)(=O)(C1=C(C=CS1)C#N)NC2=C(C=CC(=C2)OC)C3CC3,53477347D20031BC_B4D5C38BE88F36D2_6026_UN,8.240475,00000000000000000000001000000000110010000100000000010001001111101001010001000000010100001001011011000010001000001100010000001111001001011100001110111011100011111111110,HLDHNAPXBLDXQR-UHFFFAOYSA-N
+COCC(C)(OC1=C(C(=CC=C1)C2CNCCC2)F)C(F)(F)F,41800F4D50C1450B_6CF7CA1FA17E1028_6035_UN,8.239457,00000000000000000000000000000000000000000010000000000000000000100010000010000000001000110011010000101000101101011101001001000011110010100110000111010111110101111111110,LEKQAWNGIFDXSO-UHFFFAOYSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N3CCNCC3C4=CC=C(OC)C=C4,982FD8ADCCACF1C1_92BBAEA82F677485_6026_DP,8.23935,00000000000000000000000000000000110000000000000000010001001111101001000001010001011000101001011000101110111000011100011011101111111000001110101101111111110011111111110,PZLUXTZTHLRKTP-UHFFFAOYSA-N
+CCN4CCC1=C(C=CC=C1N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F)C4C,8F4C7118904310B8_DC3570B73148B12F_6041_UN,8.239319,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010101100110110010011101011100100010001110110011011011111010110101111010,LJNKJKVSBRLHRH-YVLFHOQNSA-N
+O(C(=O)C1=CC2=C(C=C1)[NH]C3=C2CNCC3)C[C@H]4N(C)CCOC4,43B3535D36BB45FB_139232764847E676_6031_UN,8.239197,00000000000000000000000000000000000000000000000000000100010000000100000000010000101101100111010110101100110001010001101011110110110110000110001011111011011111111111110,KJTUMEUJFFAVRB-ZDUSSCGKSA-N
+FC1=C(C=C(C=C1)CC=C)N[C@]23[C@](OCC)(CCC2)OCC3,302FEC57A460834C_088A76A87EF08633_6041_UN,8.239133,00000000000000000000000000000000001000000010000000000000010000000010000000000000000100010011000111010100110111011010001000010011110011110110000110010011110111111111110,XCRDMLNCSXCFDQ-MSOLQXFVSA-N
+CC(C)C1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OC4=C(C3=CC=N[N]3C)C=CC(=C4)F,6C1ADAC29190F06E_ED445DA877325249_6035_UN,8.239001,00000000000000000000000000000000000000000010000000001000000000100100000000110000100100010000011011000000000100000100001011101111110010100100011111011110100011101111110,KSBQWRNCVHKKHG-XUZZJYLKSA-N
+N(C1=CC2=C(C=C1)C(=O)CCC2)[S](C3=CC(=CC(=C3)CC#N)F)(=O)=O,669DCAA3CE20EE98_7514CA8868906B9E_6029_UN,8.2388525,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011001001000000110011100011000011000001101101011111000001111111001101110110111110,UXQNNOOBMOATJE-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCCC2=CN=C(N(C)C)C=C2)F,E9DE5DF962346755_5A50725CDD49FB8E_6041_UN,8.238803,00000000000000000000000000000000000000100010000000000000000000000100000000100100001001110000010000101000100100010100001001100111000001110100011111011111110111101111110,QMQMTAGSXLWELM-UHFFFAOYSA-N
+COC1=C(C=C2C(=C1)C5=C(N2CC3(F)CNCC3C4=CC=CC=C4)CCNC5)Cl,AC78DA48C12EC0BC_1B608B532B8856D9_6034_UN,8.238787,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101110011010010101101110100011100001011100111110100100110001111011011110111101111110,BNXNKZIOYWZJQL-UHFFFAOYSA-N
+N3C[C@@H](OC2=C(C=C1C=C(C=CC1=N2)Br)C#N)C[C@H]3CN,7A11863AFC69B3CE_665464033F69F1A5_6035_DP,8.238689,00000000000000000000000000000000000000000100001000000010000000000100000000000001101110010011100111101100110100110100010011000111110110100110001111000011110111100111110,KNGGPAVARQZWBR-STQMWFEESA-N
+O(CC1C(F)(F)C12CCC2)C3=CC(=C(C=C3)I)C(C)(C)C,51B5BF64ED7E8AA3_F0A21E808FE6D05B_6035_UN,8.238408,00000000000100000000001000010000000000000010000000000000000000000010000000100000000000010000000000000000010101001100001000000011110000100000010110010110110101001011110,HTFFRJUVSFPHLR-UHFFFAOYSA-N
+C(C2COC1(CCCC1)O2)=CC3=C(N(C)C)C=C(C=C3)C(F)(F)F,0C9D6EE1D32BF98C_7EDDCCFDB6CB7EC4_7019_UN,8.23767,00000000000000000000000000000000000000000010000000000000010000000000000010100000000101100000010010010000011101001000001010110000110011110100000010011110110011111111110,QYWOGFZWMGKSEE-UHFFFAOYSA-N
+CN(C)C2CCN(CCCOCC1=C(C=CC(=C1)C)OC(F)F)CC2,52182A3B4EAA6B6C_74FDB4191563A846_6039_UN,8.237359,00000000000000000000000000000000000000000010000000000000000000000000000000110000100001100100010001101000001111010100101001100011110011100110011111011110110111111111110,BIOIDZSMYPFXIV-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3C[C@@H]4[C@H](C)CCCN4,18C088066A2DE500_CC1E40EB34E7A619_6034_UN,8.237141,00000000000000000000000000000000000000000000000000000000000000100100000000010001001101000011000010101100110010010001101011100100110100000110001011011011010110101111010,JXHAGYVIFGOIHM-NEBWYHTOSA-N
+CN(C)CC1(CNCCC1)OC2=C(C=NC3=C2C=C(C)C=C3)C,917C930172AA7A35_48E3C7C8959E2278_6035_UN,8.236871,00000000000000000000000000000000000000000000000000000000000000000110000000100000101001100011010101101100110010011101001011100111110010000110011111011111110111101111110,FIBWNBKVRAPCPX-UHFFFAOYSA-N
+CCOC1=CC(=C(C=C1)Cl)N[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,F5F43A27D24DA3F2_1724DF406956D8CC_6029_UN,8.2366085,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000011000011001000011001101001110010000001111001001111000101111101111110111111111110,WSTGLOFBFGWGBS-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC(C)(N2CCNCC2)C3=CC=C(C=C3)Br)C=CC=C4Br)C,F1A6A57CF766FE5F_33C2C09AF7770CD2_6034_UN,8.235678,00000000000000000000000000000000000000000000001000000000000000000110000000010001001101110001000010101100110110011001101011100100110000100110011011011111010110101111010,BJKFLUKWIJNTMR-UHFFFAOYSA-N
+CN(C)C3(COC1=CC=C(C=C1)C[C@@H]2COCCN2)CCC3,E65E0F274CFCE35E_D7D2F08C3F58B7C6_6035_UN,8.235416,00000000000100000000000000000000000000000000000000000000010000000010000000100000001001100001010100101000100011011100101011100011110011000110001101011101110111111111110,SWCOECWYIIUCOW-MRXNPFEDSA-N
+CC(C)(C#N)C1=C(C=CC=C1)NCC2C3(CCNC2)CCC3,46F11F588EFB1D8A_1782DAB48D954516_6041_DP,8.234994,00000000000100000000000000000000000000000100000000000100000000000010000000100000101000100011000000101000110000011000001001000000110101010110001011010111010110101111010,ADPAOESUGXPSHO-UHFFFAOYSA-N
+NCCC1(CCCC1)OC2=C(C=CC(=C2)C3CNCCC3)F,C72B8E717CC4AFA6_AC223A3D5C655B5C_6035_UN,8.234928,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010110011000011101000100100011100001001000011110110100110001111010011110101100111110,PVANASBKDPZCIE-UHFFFAOYSA-N
+N4CCC(OCC1=CC(=CC2=C1OC(OC2)C3=CC=CC=C3)F)C45CCC5,9078F767ACB4315B_947D3A78F4DBA694_6039_DP,8.23484,00000000000100000000000000000000000000000010000000000000010000100010000000000000001100010111000111101100110101011100001011010111110010100110000111110001110111110111110,XAFRWHVAWYBJMU-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@H](CC1)OC2=CC(=CC=C2)CC3CCNCC3,1E91D3B23C1AB1D1_5A3382A084EFED96_6035_UN,8.234815,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010011101000100010010100101001100011110011000110001101011101110111101111110,BSUYATZKRSNQKC-MJGOQNOKSA-N
+COC1(CCNCC1OCC2=CC3=C(C=C2)OCC3)OC,02DBB2C04C580077_6714BB370A953649_6039_DP,8.234783,00000000000000000000000000000000000000000000000000000000010000000000000010000000001100100001010111101100110011011100101011010011110010000110100111110111110101111111110,JCGCBVCBPVXZOJ-UHFFFAOYSA-N
+COC1=C(C=CC=C1)C(COCCN2CCOCC2)OC3CCOCC3,E70DD189169DB944_28CD8E607E329DAF_6039_UN,8.234692,00000000000000000000000000000000000000000000000000000000010000000000000010010000000001100100010100101000000001010100001011100011110010000110100111111010110101111111110,OTKXBRGTTPUNNN-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)OCC2=CN=C(C=C2)Cl,98A38E91686AB2E3_B19A76D181D52D56_7022_UN,8.234654,00000000000000000000000000001000000000000000000000000000000000000110000010100000000000110000010001100001000101001101000001010111000000100110010111100110110111011111110,RZAYNSXQJIGBQS-UHFFFAOYSA-N
+CC(OCC2OCC1(CCNC1)C2)(C#C)C3=CC=CC=C3,420B651A879C1804_065EE3E6601226C7_6039_DP,8.234406,00000000000000000100000000000000000000000000000000000000010000000010000010000000001100100011000011001000110001011000101011000010110010000110000000010001110101111111110,GSNDTPXWCWTYEA-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1COCC2=CC=C([S](N(C)C)(=O)=O)C=C2)C3,336293D2E0159EF1_811D74C8CB5BF638_6039_DP,8.234313,00000000000000000000000000000000110000000000000000010001001111001001000001100000011000101001011000101110111001011000011001101110111000001110001011111101010111111111110,NGTUWUQRZNOOLP-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CC=N2)NCC4=CN=C(N3CCN(CC)CC3)C=C4,03103B516842AC2D_6F6AD11604BCF870_6041_UN,8.234283,00000000000000000000000000000000000000100000000000000000000000100100000000010101101001100000000000101100010010010010101011100100110001010110001001011101010110101111010,AOQRKXNFFKGCJB-UHFFFAOYSA-N
+C1CCC(NC1)C3=NC2=C(C=CC=C2)N3CC4=C(C=NC=C4F)F,D0798F58A36CF359_CFBCD4D6F682732C_6034_UN,8.233944,00000000000000000000000000000000000000100010000000000000000000100100000000010101001101010011000010101100110100010000001011100100110000100110001011011011010110100111010,IRWNNHNQNMXDPJ-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)NCC2=C(N(C)C)N=CC=C2)C#N,877ED6E754EE8497_D0CE0C8AD4BC6C86_6041_UN,8.233925,00000000000000000000000000001000000000100100000000000000000000000100000000100100101001100000010001101000000011000101000001110111000001010110011111001111110111111111110,IILUUDKJQALWMD-UHFFFAOYSA-N
+CNC(C)C2=NC1=C(C=CC(=C1)Cl)[N]2CC3C(CCNC3)(C)C,C8C5B519454198A8_CC0CEF936256F2B0_6034_DP,8.23386,00000000000000000000000000000000000000100000000000000000000000000110000000110101101101110011010010101101110110011001101011100100110100100110011011011111010110101111010,DHAYUQSTWVLEEY-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OC3=C2C=CC=C3)NC4=NC(=NC(=N4)Cl)C5CCCCC5,9F576C03AC044BBF_BC17908144D5EC3A_7022_UN,8.233797,00000000000000000000000001000000000000100000000000000000010000100100000000000100100100010000000010100101011100000000001011000100110001110100001001010001100010100111110,AHXMIYAYYIQANH-UHFFFAOYSA-N
+CC2=NC1=C(C=CC=C1F)N2C[C@@H]3C[C@H](C(C)(C)C)CNC3,140F52A341F24595_155045EC89897CE5_6034_UN,8.233556,00000000000000000000000000000000000000100010000000000000000000000110000000110101101101110010000010101100010100001000100011100100100000100110011011001111010110101111010,RIWIUSMMJKQAQR-KGLIPLIRSA-N
+ClCC1=C(C=CC=C1Cl)N[S](C2=C(C=CC(=C2)OC)Cl)(=O)=O,A61579AD361CB695_5FFC3FB18C60A07F_6043_UN,8.2333,00000000000000000000000000000000110000000000000000010001001111001001010001000000010000011010011000000011001100001100010000001111001001111000000111101011110111111111110,BVVIISQQOHITMU-UHFFFAOYSA-N
+CC2=C1OCC[C@H](C1=CC=C2)OCC3OCCN(C(C)C)C3,7F81F2C8D0151B57_5AE8CC05ABC0C7C6_6039_UN,8.232858,00000000000000000000000000000000000000000000000000000000010000000000000010110000000001100100000101101100010011010100101011100011110010000110010111111100110111111111110,HKEWOWZRNUNJSI-OMOCHNIRSA-N
+CN(CC1=CC=NC=C1)[C@H]2[C@@H](CNC2)OC3=CC4=C(C=C3)N=CC(=C4)Br,FCA67FA357F427BA_26CD221A255868FE_6035_UN,8.232573,00000000000000000000000000000000000000000000001000000000000000000100000000000001101101110001010111101100010110010101100011100111110011100110001101001011110111101111110,NELNBIATLZAQDG-WOJBJXKFSA-N
+C[C@H](OCC1CC(=NO1)C2CCCCC2)C3=CSC4=C3C=CC=C4,B8398998F58F8F37_F79D5FCB881656B2_6039_UN,8.232523,00000000000000000000000010000000000010000000000000000000010000100000000110000010010100001000001011000110010001010000101111001110110010000100000001010000110111011111110,PATAFBWMWKDUPT-LBAUFKAWSA-N
+CN(C)C1=CC2=C(C=C1)N=C([NH]2)NCC3=C(CSC)C=C(C=C3)F,369DDC4D4AF53321_626AE9AF64E9C4C0_6041_UN,8.232349,00000000000000000000000001000000000000000011000000000000000000000100000000100101101101111011010010001100011100000001000011100100010101110110011011001111010110101111010,SVFBAFGAZXXKIO-UHFFFAOYSA-N
+CC1=C(C(=CC=N1)F)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F,E04E335E3EA35EE2_B50C3F14BCCE9713_6041_UN,8.232283,00000000000000000000000000000000000000000010000000000000000000100100000000010001100101110011010010101000100110010001101011100100000001110100001011011111010010101111010,HWUAIGBTRUVZSD-WBVHZDCISA-N
+CN(C)CC(OC1=CC2=C(C=C1)CNC2)CN3CCNCC3,E0878D1BEC915107_5C9DF4EC2C59BC7C_6035_UN,8.232122,00000000000000000000000000000000000000000000000000000000000000000000000000110001101101100001010110101100110010010101001011100011110110000110001111011101110101101111110,FYLKWONOFRBLJF-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)[S](=O)(=O)N3C(C2=CC=C(COC)C=C2)SCC3)C#N,41AAF70BB7294831_C0D7C8BD3043EC3A_6026_UN,8.232041,00000000000000000000000000000000110010000100000100010001001111101001000001010000010100101000011010001010001001011001011011101110001000001110001011111110010111111111110,GEFKGGQRICOGNY-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)NCC4=CN=C(N3CCC(C)CC3)C=C4,FF47507A80B4FD9A_9D1D435A0178B2E0_6041_UN,8.232033,00000000000000000000000001000000000000100010000000000000000000100100000000010101101101110000010010101100011110010001101011100100110001110110001011011111010110101111010,DAVIPUJRTGBYLX-UHFFFAOYSA-N
+N(CC12N(CCC1)CCC2)C(=O)C3=C[NH]C4=C3C=C(C=C4)F,20E7FA5FE1DBAA8A_D31D0A96E86E9570_6038_UN,8.231766,00000000000000000000000000000000000000000010000000000100000000000110000000000001101101110011100011001100010100111000011011100100110100100110001000011001011110100111110,KDHHMMQKTIOMCL-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NCCC2=CC3=C(C=C2)COCC3)F,817BD7B651D92C00_7886D5AB014B76FB_7022_UN,8.231515,00000000000000000000000000000000000000000010000000000000010000000000000000100000001001110000010000101100110101010001001000100100110011110110001011011111010111101111110,LAPDEVKTRJTLBB-UHFFFAOYSA-N
+CCNC4CCC1=C(C3=C(N1CC2=C([N](N=C2C)C)C)C=CC(=C3)Cl)C4,BF609B869688283B_5747117D5289951D_6034_UN,8.2311,00000000000000000000000000000000000000000000000000001000000000000100000000010000101101010010011010001101110110010010101011101100110001100110011011011111010110101111010,MTNRIJNODGQDBQ-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC2NCCC3=C2C=C(C=C3)Br)C=CC=C4)CC#N,D6CABDA7647CBACE_2B813DCEC19728F9_6034_UN,8.23101,00000000000000000000000000000000000000000100001000000000000000000100000000010001001101010001000010101100110100010000101011100100110000100110001011011011010110101111010,DJCHOWKGTNIKSJ-UHFFFAOYSA-N
+CCOC1=C(C(=CC(=C1)C#N)NC3=C2C=CC=NC2=C(C=C3)[N](=O)=O)OC,C47BD02258CC78C8_E9A926AAE8AF5C51_6041_UN,8.230923,00000000000000000000000010000000000000000100000001000000100000010100001110000001100000000000011101100110010001000110000101101111001001010100101111101111110111111111110,LNNQIRFDPAOYPU-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)C=CC=N2)[S](C3=CC(=C(OC)C=C3)N(C)C)(=O)=O,3D8030D01C63FBD7_98012DB85DB0FDAF_6029_UN,8.230894,00000000000000000000000000000000110000000000000000010001001111001101010001100000011001101000011100101110011000001100010001101111001001011100011111101111110111111111110,IEJOKWIPXWWQLK-UHFFFAOYSA-N
+C[C@@]2(COC1=CC=C(C=C1)C(F)(C(F)(F)F)C(F)(F)F)CCCN2,68CF9FBC12A233D7_E7C5AD2DBE92D323_6035_UN,8.230298,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100000011000110001000101111011101101001000011110000100110000100010001110111101111110,SKSZQDMSCKVGKT-LBPRGKRZSA-N
+CN(C)CC1=C(C=CC(=C1)NCC2(CCN(C)CC2)C)F,1342EB01AF3691A2_36F11CA615D4F30A_6041_UN,8.230184,00000000000000000000000000000000000000000010000000000000000000000010000000110000001001110011010000101000000100011001101001100000110001110110011011011111010110101111010,VBZGFKKLYOCHGA-UHFFFAOYSA-N
+C1CNC(C1)C2=CC=CN2CC(CC3=C(C=CC=C3)Br)C#N,9D31D030AFD5E7D1_7748C702CBD761EE_6034_UN,8.230122,00000000000000000000000000000000000000000100001000000000000000100100000000010001101101010011000010001000100100010000001011100100110000100110001010011011010110100111010,VDJIBNJMNWZHET-UHFFFAOYSA-N
+NCCC1=C(N(C2=C1C=CC=C2)CC3(F)CNCC34CCC4)C(F)(F)F,1ED0ED3D2CAED530_F88DA0CAD051C072_6034_UN,8.229425,00000000000100000000000000000000000000000010000000000000000000000110000000010000101111110011000010001100111100011000001011100100110100100110001010011011010110100111010,MKSZKJFTDAOMRP-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=C(C=CC=C2OC)C(F)(F)F)C(F)(F)F,564FBB4722BEE479_AFB9696D80FF59EB_6003_DP,8.229234,00000000000000000000000000000000000000000010000000000000000000000010000010000000001000100001010000101000101110011100101001000011110000100110000111010111110001111111110,GMAJDBWSPQYCOA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NCCSCC2=C(C=CC=C2)F,01C64DCC0D6F5BFA_03548B0496D2A5C2_7022_UN,8.229231,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000111001010100001000100100010101001000000111010001110010000111010111110111101111110,WWNDGLQOTJMOGA-UHFFFAOYSA-N
+COC1=CC(=CC(=C1)OC)C2CCN(CC2)[S](C3=CC4=C(C=C3)C=CC=C4)(=O)=O,3268DEB2F2F939C8_757D5BE036AC9795_6028_UN,8.228965,00000000000000000000000000000000110000000000000000010001001111101001000001010000010000101100011000101110011000011100011001101111111000001110100101111100110011111111110,ADYZBJCXBOMVOH-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=C(C)C=CC3=C2CCC3,0494DA1E916335FB_37F0663549E9AFC0_6035_UN,8.228922,00000000000000000000000000000000000000000000000000000000000000000010000000100000101101100011010111001100110010011101001001100011110010000110011110011111110101101111110,ANJWCQKNARVLSM-UHFFFAOYSA-N
+O(CC2CCN(CC1=CC=CO1)CC2)CC4COC3=CSC=C3O4,7B9B62E00BA3983F_8E05B7F02C4D2B84_6039_UN,8.228771,00000000000000000000000000000000000010000000000000000000010000000000000010010000000101101100000110101100010001010100001011100110110010000110100011111000110101110111110,LMOWPKNWZLEFAV-UHFFFAOYSA-N
+O(CC2CN(CC1=CC=CC=C1)CCC2(F)F)CCC3(CCNCC3)C#N,2A257B204334C664_BFEA31F3B2136426_6039_DP,8.228672,00000000000000000000000000000000000000000110000000000000000000000010000000010000001001110001000001101000100101011000001011100010110010100110001001011011010101100111110,MCKGYGQMBXAXJD-UHFFFAOYSA-N
+ClC2=C1C(=CN(C1=CC=C2)C[C@@H]3CNCC[C@@H]3C4=CC=CC=C4)CC#N,06FBA2C97248AF06_11850D88C4A59CF0_6034_UN,8.228576,00000000000000000000000000000000000000000100000000000000000000100100000000010000101101110011000010101101110100010000001011100100110000100110001001011011010110100111010,JHJPAZXNEAXGOA-RBUKOAKNSA-N
+BrC2=C1C(=CN(C1=CC=C2)C[C@@H]3CNCC[C@@H]3C4=CC=CC=C4)CC#N,31E464F3BD7297D1_380D59EE9A33F82C_6034_UN,8.228559,00000000000000000000000000000000000000000100001000000000000000100100000000010000101101110011000010101100110100010000001011100100110000100110001001011011010110100111010,ZGMSEZTZPSNEOB-RBUKOAKNSA-N
+C2(=C1OCCCC1=CC(=C2)CC#N)NCCC3=NC4=C([N]3C)C=CC(=C4)F,16FEE035E187F66D_447F5D4B8DCC3E0A_6041_UN,8.228553,00000000000000000000000000000000000000100110000000000000010000000100000000010101101101010001010110101100110111010100101011100100100011110110001011011011110111101111110,UBTFHLQRWPAFTI-UHFFFAOYSA-N
+COC1=NC=CC(=C1)NCC(C)(C)C2=CC3=C(C=C2)OCO3,2CFBE317998B37B1_8EBFD196DA4F17D6_6041_UN,8.228029,00000000000000000000000000001000000000000000000000000000010000000110000010100000101100000000110011101100010001101101010011010111000001010110011111100101110111111111110,VSSKXPYOEDMDFY-UHFFFAOYSA-N
+C[N+](C)(C)CC=CC2=CC=C(N1CCC(O)CC1)C=C2,5C70531639AC2FBD_0FCAAEEC28E0E113_7019_UN,8.227894,00000000000000000000000000000010000000000000000001000000000000100000000000110000000001100010010001111000100000011001001001100001110011010111011101011100110111101111110,WQIQQPCSFVFZBF-UHFFFAOYSA-N
+COC2=C1N=CC=C(C1=CC=C2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,BB2054F71B6A682E_66E13020CE814A71_6041_UN,8.227534,00000000000000000000000000000000000000000000000000001000010000100100000000010000101101100001011110101100010011010101101011101111110011010110011101011111110111111111110,SXHFWMDAEGPMHL-ICSRJNTNSA-N
+COC1=CC2=C(C=C1)N=C(C=C2OC)NCCCSC[Si](C)(C)C,CAEAA6303AF44594_111E01883A9AFB99_6041_UN,8.227221,00000000000000000000100000001010000000100000000000000000000000000100000000100100001000101010010001101100110010011101001001000111110001010110011101011101110111111111110,UXLRORRVPZEEJY-UHFFFAOYSA-N
+FC1=CC2=C(C(=C1)F)C(=C(C#N)C=N2)NCC3[C@@H]4CNC[C@H]34,36823041334C8ECC_37924427A4A7AFB3_6041_DP,8.226974,00000000000000000000001000000000000000000110000000000000000000000100000000000000101100110001000010101100010100000000000011000100110101110110001011000011010110100111010,UKVRFVJJGWSAFF-FOSCPWQOSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NCC4=C(C=CC(=C4)C(OC)OC)F,61D1F5496F3A9D5E_B667E9E692C5C752_6041_UN,8.226467,00000000000000000001000000000000000000000010000000000000010000000000000000010000001001110100010101101100010101010100001011110111110011110110101111111111110111111111110,ACSYIHBIFDQIPM-UHFFFAOYSA-N
+N(C1=CC3=C(C=C1)OC2(CCC2)CC3)C(=O)C4=C(C=NC(=C4)F)F,9B348DAEFE08B47F_30807160A69F2122_6038_UN,8.22644,00000000000100000000000000000000000000000010000000000000010000000110000000000000000000010001100000100100010100101100011011000100110011110100001011010011101011110111110,FMUFERHINIZEEV-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)N[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,5156B8B5A76F7709_68B6319E4ACFBC90_6041_DP,8.226418,00000000000000000000000001000000000000000010000000000010000000100100000000010101001101110011010010101100111100010000001011100100110101110110001011011011010010101111010,YBYYXAFSSOVAPR-GDBMZVCRSA-N
+CSCC1=CN=C(C=C1)NCCC2=C(N(C)C)N=CC=C2,A690CD763BBCB745_107C4DD9A8C8A236_6041_UN,8.226319,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001101000010000101000100010010001001011100100000001010110011011011111010110101111010,UHLFRYDFPCALRP-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)N=C=O)NCC2=CC=C(C[S](C)=O)C=C2,25DDBF0EED2D6655_A13BCF25DA7CB337_6041_UN,8.225969,00000000000000000000000000000000000000000010000000010000000011000001000001000011001000111000010000001010000100100001010100001100000011111010001011001011011110111111110,LUHZIVYGJCKQHV-UHFFFAOYSA-N
+CS[C@H]3C[C@@H](OC2=C1C=CC=C(C1=NC=C2)OC(F)F)C3,202297E3D09BD295_F702C76565896C96_6035_UN,8.225532,00000000000100000000000000000000000000000010000000000000000000001100000000000000010000001000010101100100011100000100100001000111000010100100000101000000100011011111110,HSEDCPSTRGZONP-AOOOYVTPSA-N
+N(CCC2=C1C=CC=CC1=NC=C2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,16F5D316C9FCCD25_349B619F7FB55475_6028_UN,8.225505,00000000000000000000000000000000110000000100000000010001001111001101010001000000011000001000011000101110111000011100011001001111001000001100001111111011110111111111110,YSICJIHUSDIJGI-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C)NCCC2=CC(=CC(=C2)OC)Br,6C70233A06E3A484_52900C3FC1229CC1_7022_UN,8.225329,00000000000000000000000000000000000000000000001000000000000000000000000000000000001000010000010001001000100110010100001000000111000001110000010111010111110111111111110,KTEBAGNKLFHPMM-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CC4=NC=C[N]4C,208C2728F3782E50_C07D5B61A703B9D3_6034_UN,8.225248,00000000000000000000000000000000000000100010000000000000000000100110000000010101101101000011010010001100111100011000101011100100010000100110001010011011010110101111010,GVODGVFLOVPDTN-UHFFFAOYSA-N
+ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CC4C(C)(NCCO4)C,78E8D1412543C88C_769AEA5EAFB17D9A_6034_UN,8.224894,00000000000000000000000001000000000000000000000000000000010000000110000000110101101101010011000110101101111111011000101011100100110111110110001011011111110111101111110,PAZJMBASOJIHEI-UHFFFAOYSA-N
+O(C2CN(CC1=CC=C(C=C1)F)C2)CC3=C(CC)C=CC4=C3C=CC=C4,32DD1E88A95493BC_C79D497894D4E522_6039_UN,8.224202,00000000100100000000000000000000000000000010000000000000000000000000000000010000000001110000000100001100010111000010000001100111110010100110000111001010110101101111110,IBPDCXLIWDTCOV-UHFFFAOYSA-N
+C2(=C1OCCOC1=CC(=C2)C#N)NCC3C(CCNC3)(C)C,DD2E7D14B6BA9270_DF30030B2B02297D_6041_DP,8.224081,00000000000000000000000000000000000000000100000000000100010000000010000010100000101000100011000101101100110001011101101011000000110111010110001011010111110111111111110,PZNQOYVASVDZIJ-UHFFFAOYSA-N
+CN3CC(C)(COC2=CC=C(CNCC1N(CC)CCC1)C=C2)C3,7B90D87E95ADEB9C_C7926C30BB792ECC_6035_UN,8.224076,00000000100100000000000000000000000000000000000000000000000000000010000000010001001101100011010011001000000011011111101011100011110000000110011100011111110111101111110,DHVKXOMULAISDK-UHFFFAOYSA-N
+O=[N](=O)C1=CC(=C(C=C1)C#N)NCC2=CN=CC(=C2)OC,E9E1A711B3012EBC_E6AC4B5FE7225EA5_6041_UN,8.223234,00000000000000000000000010000000000000000100000001000000100000010100001100000000101000000000011100101010000000000100000101101111001001010100001111101011110111111111110,ZZSZDLOLMJVGEW-UHFFFAOYSA-N
+CC1=C(C(=CN=C1)[N](=O)=O)NCC2=C(N(CCOC)C)C=CC=C2,150D3E00AC50DEC1_85633EA93A64B11E_6041_UN,8.223121,00000000000000000000000010000000000000000000000001000000100000010100001100000001101001100000011101101010000011010001101101101110101011010110011011111111010111111111110,ZWDVJBYJQKWWRF-UHFFFAOYSA-N
+FC1=C(C=CC=C1)C2=CSC(=O)N2CC3(F)CNCC34COC4,A6D741C97AADCF86_43F5C55CFC601A5E_6034_UN,8.223074,00000000100100000000000000000000000010000010000100000000010000100110000000010000111101111011000011001000011101101100010011100101110000100110001110001011011111110111110,UYHQQITYYYTZSQ-UHFFFAOYSA-N
+BrC1=C(C=CC=C1)C2=CSC(=O)N2CC3(F)CNCC34COC4,BA5B64FBD11D744B_545890B6A3BDBC45_6034_UN,8.223073,00000000100100000000000000000000000010000010001100000000010000100110000000010000111101111011000011001000011101101100010011100101110000100110001110001011011111110111110,KJFNABWAHZUINH-UHFFFAOYSA-N
+ClC1=C(C=CC=C1)C2=CSC(=O)N2CC3(F)CNCC34COC4,359D764BA6691334_07102239BBB4A0CB_6034_UN,8.22306,00000000100100000000000000000000000010000010000100000000010000100110000000010000111101111011000011001001011101101100010011100101110000100110001110001011011111110111110,SNBRUDMBIMJOKL-UHFFFAOYSA-N
+CC1=C(C(=NO1)C2=CC=C(C=C2)F)N[C@@H]3CCO[C@H]3C4CCNCC4,53A29A85E55233A2_B0FB2F9AFAEDA1BC_6041_DP,8.222947,00000000000000000000000000000000000000000010000000000000010000100100000100000001101100110011001111101010100101010000001011001100110111110110001011010011110011111111110,KJPSJIXVRKLGEV-APWZRJJASA-N
+FC1=C(C(=CC=C1)NC2=CC=CC3=C2OCCC3N(C)C)C=C,5921E0DFE812B6F9_BE9FCA2793CBC048_6041_UN,8.222874,00000000000000000000000000000000001000000010000000000000010000000000000000100000000001110001010101110100010111010100101000100100000011110100001011011111110011101111110,COUOROZNONVRAU-UHFFFAOYSA-N
+CN(C)C3(COCC2CN=C(C1=CC=C(OC)C=C1)S2)CCC3,09EA91CBF0260A71_AA53F18E9BC9CB55_6039_UN,8.222863,00000000000100000000000000000000000010000000000100000000000000100010000000100010010101101000010111001000000011011100101111100011110001000110011100011100110111111111110,QMOYTDSLSZTVIO-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NCC(C)N(C)C3CC3,BB234A8E1712125E_9D7C571D24F6BB69_6041_DP,8.222754,00000000000000000000001000000000000000000000000000000000000000000000000000000001001001100001010001101000100011010001101001100011110111010110001101011101110111101111110,MOBILJDZFRGCSH-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)N)NC(C2=C(C=CC(=C2)N(C)C)F)=O,74CA299197802B1D_CDD781FDA4BFE3C7_6038_UN,8.222729,00000000000000000000000000000000110000000010000000010001001111001001010001100000010011111000111100000010001100101100010000101111001101111000111111101111101011111111110,IBBTXLUQCHMXBE-UHFFFAOYSA-N
+CC(C)(COCC2OCC1(CCNCC1)C2)C3=CC=CC=C3,29C927E5510C8C95_873B6CF39CF95C84_6039_DP,8.22267,00000000000000000000000000000000000000000000000000000000010000000010000010100000001100100001000010101000110011011001001011000010110010000110000001010101110101111111110,IFWJOKGAFRTVAN-UHFFFAOYSA-N
+O(C1CC(C1)N2CCCC2)CC4=CC(=C3OCOC3=C4)C5CC5,BA6326E236D09DFA_565DE713DE3E3C64_6039_UN,8.222647,00000000000100000000001000001000000000000000000000000000010000100000000010010000000101100000000011001100010001010100001011110011110011000110000110111000110111110111110,QHLRNKOWXXLEKU-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C3=CC2=C(C=CC(=C2)Cl)N3CC4(CC)COC(CI)C4,F18D1B388F4CE218_1F6CCB96550870DF_6034_UN,8.222565,00000000000000000000000000010000000000000000000000000000010000100110000000010000000101010000010011001101010101001110100011100111110010100110000111001110110111111111110,KCSURZJJAGDCFK-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)[N](C(=N2)C3NCCC3)C[C@@H]4CCN4,0028C076BF705A8D_F8B438639596B6BB_6034_DP,8.22229,00000000100100000000000000000000000000100000000000000000000000100100000000010101001101000011000010001100110000010000001011100100110100000110001010011011010110101111010,JUEKBDFIUJDYFQ-UEWDXFNNSA-N
+C1(=C(C(=CC=C1)C#N)N=C=O)NC2=CC=C(SCCN(C)C)C=C2,C18AB45C67A0BDA1_FD893F46F5155DA0_6041_UN,8.222272,00000000000000000000000000000000000000000100000000000000000100001000000000100011110001101000010000001000000000110001111100100100000001010010001011011111011110101111110,ZAANDODYPNDARS-UHFFFAOYSA-N
+OC(=O)C1=C(C=NC(=C1)[N](=O)=O)NC2=CC(=NC=C2)N3CCNCC3,BD06937CFCD1DCBA_4E30F95CE0DE0230_6041_DP,8.221914,00000000000000000000000010000000000000100000000001000100100000110100001100010101101001100001001101101010100000010000001111111100111101011111101011111011011011110111110,SCPAVKNPSZNLIH-UHFFFAOYSA-N
+COC1=CC2=C(C(=C1)OC)N(C(=CC2=O)C)CC3=CC(=NC=C3)N(C)C,3FF150256DB5B54F_7B80B8793F8E07DB_6034_UN,8.221609,00000000000000000000000000000000000000100000000000000000000000000100000000110100000001100100010101101100010000000100100011100111000001010100011111101110111111111111110,ZIYHEFZDPPNGMH-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)NC34CCNC3CCCCC4,9CC77E7F9916C61B_D5AED503E2D9868E_7022_DP,8.221508,00000000000000000001000000000000000000000000000000000110000000100010000000000001101100010011000010001101110100011000001001000100110101110100001001010001010010100111010,OFMQAMNCWOSUOS-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C=C1)NC2=C(SC)C=CN=C2)CC#N,D9926983B22149C4_1DAEC1247DEC6A8D_6041_UN,8.221133,00000000000000000000000010000000000000000100000001000000100100011100001100000001010000001001011000100010000000010000000101101100001001010100001011001011000110111111110,PHCNLFOOZXDXFB-UHFFFAOYSA-N
+CN(C)CC(OC1=C(OC)C=C2C(=C1)CCNC2C)CN3CCNCC3,2A435EF9B1DA4E97_4D7EC88D4E8CB11E_6035_UN,8.221059,00000000000000000000000000000000000000000000000000000000000000000000000010110001101001100001010100101100110010010101101011100011110110000110011111011111110111111111110,AULBUTSZJNUNCQ-UHFFFAOYSA-N
+CC3=CC1=C(C=C(C=C1C)NC(C)CN2CCCC(C)C2)[NH]3,40DE4CE860CF20F2_88BCD1DC724F9802_6041_UN,8.220761,00000000000000000000000000000000000000000000000000000100000000000100000000010001100101100001000010101100110010010001101011100100110101010110011001011101010110101111010,BNUVYZBOYPECII-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CCCCC2)C#N)NCC3CNCC(O3)(C)C,E9715C5ED914D897_561CA850E22F8065_6041_DP,8.220733,00000000000000000000000000000000000000000100000000000100010000100010000000100000101000100011000100101000000010001001001011000000110111010110001011010111110111101111110,UQNSRPOMSYYLAE-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)C3=CC=CC(=C3)OCCOC,F219FAFD1ADE7F76_96954BC76203B77E_6005_UN,8.220691,00000000000000000000001000000000000000000100000000000000000000100000000010000000000000100000010000000000000001000101101000000111000010000010000111010010110101011111110,RWHYYDSAOUEMIT-UHFFFAOYSA-N
+C2(=C1OCOC1=CC(=C2)CC#N)NC3=CC=C(C=C3)N4CCOC4=O,C2A340865223100D_4F07BB322ECFBF97_6041_UN,8.2206335,00000000000000000000000100001000000000000100000000000000010000100000000010010000000101000001000111001100011001110100011011110101000011010110101111111011111111110111110,MVYCAAIUSXJVCY-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CN=C(C=C1)C#N)NC2=C(C(=CC=C2)Cl)N3CCOCC3,4C434530F67E9281_5AA71A856AC03CC3_6026_UN,8.220555,00000000000000000000000000000000110000000100000000010001011111101101010001010001110001111001001101101011001101011000011011101100111011111110001011111011010011110111110,KTZLBOKFSIFRJW-UHFFFAOYSA-N
+C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCC1=C(F)C=CN=C1)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,725DBE7C00151E3F_8C4E9190602DD078_6039_UN,8.219689,00000000000000000000000000100000000000000010000000100000000000100110000000001000000000010000000011110100010111001001101011000111110010100100001111010110110101001111110,UDSPGKBMLYHNHU-LWHNIQRHSA-N
+CC(C)(OCCC1CCNC1)CC2=CC3=C(C=C2)CCCC3,A734539F8292BD90_F1C708523835106D_6039_DP,8.219545,00000000000000000000000000000000000000000000000000000000000000000010000000100000001100100011000010001100110011011001101001000010110010000110000011010101110101101111110,DPTZIPDFZOVGTD-UHFFFAOYSA-N
+CC(C)(CC1=CC=C(C=C1)NC2CCCC3CNCC23)C#N,46A8D4C5C74AC9CA_BFBB0A32C681304E_6041_DP,8.219526,00000000000000000000000000000000000000000100000000000100000000000010000000100000101100100011000010001100110000011001001001000000110101010110001001010101010110101111010,NJNXLTAJWJGHCL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCCC2)NC3=C([S](C)(=O)=O)C=CC=C3F,EFFE0D9A1128727D_E5ECACEE01BFE297_6041_UN,8.219042,00000000000000000000000000000000000000000010000000010001001111001001000001000000010000011001010001000110010100001000001000001100111001111000000011011011000010111111110,FTERRGRQYUTKKP-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CCCC#C,E34E8273218F0EF8_17927306DEE7110D_6034_UN,8.218487,00000000000000000100000000000000000000000010000000000000000000100110000000010000101101000011000010001100111100011000001011100100010000100110001000011001010110100111010,JHIZPSUKVSQKTR-UHFFFAOYSA-N
+C[S](=O)(=O)NC1=CC(=CC=C1)C2=CC(=C(OC)C=C2)CN(C)C,9DD2B198DC6AFEB2_4E0CC98B3AE1F63C_6005_UN,8.218152,00000000000000000000000000000000110000000000000000010001001011100001010001100000000001101000011001001010001010001101010000101111001001011000011111101111110111111111110,YLCXLQPIVMSWPA-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CCC4=CC=CC(=N4)C,BCB0ECCB302BE722_BEA51047E16C8EDD_6034_UN,8.217688,00000000000000000000000000000000000000000010000000000000000000100110000000010000101101000011000010101100111110011000001011100100010000100110001001011001010110101111010,CQEOUJJDYBRMGX-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C3C(COCC2=NC(=CC=C2)CC#N)CCN3C,702F89D70C520FCB_51DB1844453F3B0D_6039_UN,8.217597,00000000000000000000000000000000000000000100000000000000000000100100000000010000100101100000010111101000000011010101101011100111110000000110001101011110110111111111110,CKLHITAKFOURKX-UHFFFAOYSA-N
+COC(OC)C1=CC(=C(C=C1)F)NCC3(C2=C(OC)C=CC=C2)CC3,8FDF55F798DD9088_4DE79C63E0394E04_6041_UN,8.217479,00000000000000000000001000000000000000000010000000000000000000100010000000000000001000010011010000001000000100001100000000010111010001110000010111110111110111111111110,HXIJINLOCYTAFU-UHFFFAOYSA-N
+O([C@@H]1CCOC[C@@H]1C#N)CCC2=CC=C(OC(F)(F)F)C=C2,0A8961F994276BF8_F2FEBD5944DEE1DF_6039_UN,8.217431,00000000000000000000000000000000000000000110000000000000010000000000000000000000000000100100000001100000001101001100001000000011110010100110000101110010110101010111110,GXIDUZRAHYMJFJ-GXTWGEPZSA-N
+N(CC1=CC(=CC=C1)C2=NC=CC=C2)[S](C3=C(CBr)C=CC(=C3)C#N)(=O)=O,BC4768EF12180791_53AA6C867EBE8888_6029_UN,8.217253,00000000000000000000000000000000110000000100001000010001001111101101010001000000011000001001001000101010001000001000010001001100001000101110001011001011010110110111110,POOOZZAJJREZNQ-UHFFFAOYSA-N
+COC2=C1C=NC=CC1=C(C=C2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,C196FACCF63F3AA3_CD927A4AC5DFF066_6041_UN,8.217202,00000000000000000000000000000000000000000000000000001000010000100100000000010000101101100001011111101100010011010101101011101111110011010110011101011111110111111111110,ZSLJUCHGDRGTFB-PMACEKPBSA-N
+CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NCCC3=C(C=CC=C3)F,5328A27FD274915F_9A8F28209B3BAA2F_6041_UN,8.216542,00000000000000000000000001000000000000100010000000000000000000100100000000110101101101110000010111101000101110010000101011100111010011110110011111011111110111101111110,BXCTWGUDFJBVNM-DLBZAZTESA-N
+CN(CC1CCNC1)CC2=NN=C(C=C2)NC4C3CC3CC4,0F1B9852D2F750B4_6251BE299AF894E7_6041_DP,8.216041,00000000000000000000001000000000000000100000000000001000000000000100000000000101101101100011011010101000110010010001001011101000110101010110001001011001010110101111010,MHKOSKLLSDLDRB-UHFFFAOYSA-N
+CN1CCC2=C1C=C(C=C2)[S](=O)(=O)NCC3=NC=CC(=C3)OC4=CC=C(C=C4)Cl,C71EFBE6A00A37B2_6A5BC7D3B0A4F7AC_6026_UN,8.215989,00000000000000000000000000000000110000000000000000010001001111001101010001010001011101111000011011101111011110011101111011101111001000111110001111111001110111111111110,PNRDFDRZMZXJGM-UHFFFAOYSA-N
+CN1CCC2=C1C=C(C=C2)[S](=O)(=O)NCC3=NC=CC(=C3)OC4=CC=C(C=C4)F,48BE00BA2FB9EB17_D1ADA2A06BF1918B_6026_UN,8.21597,00000000000000000000000000000000110000000010000000010001001111001101010001010001011101111000011011101110011110011101111011101111001000111110001111111001110111111111110,TVFPIUOEOFWFRH-UHFFFAOYSA-N
+COC1(CCNCC1OC2=C(C=C(CCCC)C=C2)C)OC,3298E9CDBB553E74_CF89FEB47E0EB5A5_6035_DP,8.215788,00000000000000000000000000000000000000000000000000000000000000000000000010000000001000100001010101101000100010011111101001010011110010000110010111110111110101111111110,SVNYYEVPZMEVKK-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=CC=C2Br)CC3(F)CNCC34COC4,659011DE760D8D59_A478C416DA6F6042_6034_UN,8.215502,00000000100100000000000000000000000000000010001000000000010000000110000000110000101111110011000011001100110101011001000011100100110100100110001000001101010111101111110,ONIOYWMKYIBURC-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2=O)NCC3=CC=C(CCN(C)C)C=C3,5AE25ACE79BAC04C_D14F4B6D0D4E2734_6041_UN,8.215216,00000000000000000000000000000000000000000000000000000000010000000000000000100000001001100100010000101100010001010101101000100101000011010110001111011101111111111111110,AQVRZCPBOJJPAL-UHFFFAOYSA-N
+O(C1CCNC2=C1C=C(C=C2)Cl)C3=CC(=C(C=C3Cl)C#N)C,5EBFB5233BB509C8_83964FE0A875A3B4_6035_UN,8.215142,00000000000000000000000000000000000000000100000000000000000000000000000000000000001000010001000001101101110100010100001001000111000010110100001111010011110011101111110,ZKWGAHJVUYSBKE-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)N=[N]#N)NC2=C(C=C(C[S](C)(=O)=O)C=C2)C#N,F78B6B69F029CD9D_637A256552BE1AA4_6041_UN,8.214893,00000000000000000000000000000000000000000100000001011001001011000001001001000101100000101000011000000010000000001001000100001100001011011000001011001111010110111111110,JCBXGURHJBNZEH-UHFFFAOYSA-N
+O(CCC1=C(C=CC=C1)C=C)C(C2=C(C=CC(=C2)N(C)C)F)=O,F3E957DA37482E63_2A0527CA06DE553E_6038_UN,8.21443,00000000000000000000000000000000001000000010000000000000000000000000000000100000000001110000010000010000000101000000001000110110000011110000000011011110011111111111110,JLHZEIXWRCSPQM-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NC2=CN=C(C=C2)OC3=C(C(=CC=C3)F)F,2D03B4DF7DD371F4_61810B09F871E8BD_6041_UN,8.214139,00000000000000000000000010000000000000000010000001000000100000010100001100000001000000010000111101100010000100100100010101101111001001110100101111101011100011111111110,FQJKLFNLZCDALF-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC(CC)(CC)SC)C3=CCNCC3,DE45BAB43ABBCC13_C05671500582EBCD_6034_UN,8.21396,00000000000000000000000000000000000000000000000000100000000000100110000000011000011101101001010010111100110000011010101011100100110000000110011001011101010110101111010,GFUJFXFKERVMHT-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC[C@@H]2OCCN(C)[C@H]2C3=C[N](N=C3)C)C4CC4,E4EAC6864A96D67D_47DE73FAA4E607D3_6041_UN,8.213943,00000000000000000000001000000000000000000010000000001000010000100100000000010000101101110001011110101000000111010001101011101100110011110110001011011111110111101111110,QOKCPZZLCZELGJ-HKUYNNGSSA-N
+COC1(CCNCC1OCC2=NC=C(C=C2)C#N)OC,A1F96E355ED9AFAF_52E62F359DF2764B_6039_DP,8.213915,00000000000000000000000000000000000000000100000000000000000000000100000010000000101000100001010101101000100011011000101011010011110010000110001101110111110111111111110,QUJOTGFZOZOPTH-UHFFFAOYSA-N
+C1(=NN=C(C=C1)C#N)NC2(CCC(C(C)(C)C)CC2)C#N,DA6CEC5AD8DCCCD5_82F419A3B0B771A1_6041_UN,8.213703,00000000000000000000000000000000000000100100000000001000000000000110000000100101100000000010001000100000100010011000101011001000110001010100011001010101000010101111010,HVYCCYWLQMHGOA-UHFFFAOYSA-N
+COC(=O)CC2=C1C=CC=C(C1=CC=C2)NCC3CCN3C,4B51E6137D8B6C3F_1F5B80085FD24B14_6041_UN,8.213173,00000000100100000000000000000000000000000000000000000000000000000000000000010001001001100011010000001100010000010001101001110110110011010110001001011111011111111111110,SRMADHZFDVUSPA-UHFFFAOYSA-N
+FC2=C1C=CC=CC1=C(C=C2)NCC3(OCC)CCOCC3,1E45867CF84609E4_E29B96DC4E1D39EA_6041_UN,8.212845,00000000000000000000000000000000000000000010000000000000010000000010000000000000001000110111000100101100010111001010001000000111110011110110000101010001110111111111110,KNJYRCDCXXPRAT-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)CN2CCCCC2)CC3COCC(C)(C)O3,894E05C928F2B88E_B8FADEBC3D8E3B66_6039_UN,8.212812,00000000000000000000000000000000000000000000000000000000010000000010000010110000000001100100000000101000000011011001001011100010110010000110000001111100110101111111110,GRJIYLFIWQGQJV-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NCC3=CC(=C(N(C)C)C=C3)F,02A67D62476BD0CB_E1EFFBC52079BE19_6041_UN,8.212803,00000000000000000000000010000000000000100010000001000000100000010100001100100101001001110000011001101110010100000000000101101100001001110100001011001111010110111111110,FWWBJEGMLCFJCF-UHFFFAOYSA-N
+CC3(COC1=C(C=C(C=C1Cl)F)C#N)CNC2=C(C=CC=C2)O3,3A0CAD34C51028F2_E6C2610334063913_6035_UN,8.212768,00000000000000000000000000000000000000000110000000000000010000000010000010000000001000010010000101101101010101001101000011000111000010110110001111000011110111111111110,BKDHXNDUHOOKOK-UHFFFAOYSA-N
+CC3(COC1=C(C=C(C=C1Br)Br)C#N)CNC2=C(C=CC=C2)O3,AF8990EFEB150681_6B5A982D374FE8EF_6035_UN,8.212753,00000000000000000000000000000000000000000100001000000000010000000010000010000000001000010010000101101100010101001101000011000111000010110110001111000011110111111111110,ZSBTYCIXZOBMRH-UHFFFAOYSA-N
+N3CCC(CNC(=O)[C@@H]1C[C@H]1C2=C(C=CC=C2F)F)C34CC4,A484563ADEA34DCF_200A9B1214C37F65_6038_DP,8.212699,00000000000000000000001000000000000000000010000000000100000000100010000000000000101100010011100010001000110100111000011001000000110100100110001010010011011110100111110,NDJKVSUELFFEHT-PQDIPPBSSA-N
+C1NCC2=C(C1)C4=C(N2CC3(F)CCCOC3)C=CC=C4,8851584CAF599C93_ADEE3910506A1550_6034_UN,8.212267,00000000000000000000000000000000000000000010000000000000010000000110000000010001001101110001000011101100110101011000001011100100110010100110001011011001010111100111110,KHLBMJCFDHBYPY-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)CN2CCOCC2)CC3CCC(C)(C)CO3,C0D968C46B85805F_5477DF94EFCFA961_6039_UN,8.211969,00000000000000000000000000000000000000000000000000000000010000000010000010110000000001100000000100101000000001011001101011100010110010000110000001111100110101111111110,JXVYQZYTHBUELB-UHFFFAOYSA-N
+O(C[C@H]1NCCOC1)C2=C3C(=C(N)C=C2)C=CC(=C3)Cl,FC272D539F6B2BAC_BC3F9B57C0261513_6035_UN,8.211732,00000000000000000000000000000000000000000000000000000000010000000000000000000000001010110101000100101101110101010100001011000111110111110110001101010001110111110111110,RCDJKLGBKCZWDW-NSHDSACASA-N
+CC1=CC(=CC=C1)N4CCC(OCC2=NO[C@@H]3COC[C@H]23)CC4,45265A8188AAB07F_DEA532FA3F896823_6039_UN,8.211699,00000000000000000000000010000000000000000000000000000000010000100000000110010010000101100100001111101110010001010000001111101011110011010110001101111000110111111111110,DQCZZBJCIUUKBI-SJLPKXTDSA-N
+CC(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)C4=NC3=C(C=CC(=C3)Cl)[N]4C,29C13234C7A12EDA_04934A2C913E8BD7_6035_UN,8.211636,00000000000000000000000000000000000000100000000000000000000000000100000000010101001101110001010110101101110100010100001011100111110000100110001111011111110111101111110,KHOJWDWDEIFMGR-UHFFFAOYSA-N
+COCCCNC1=NC=C(C=C1)C2=CC(=CC(=C2)[N](=O)=O)OC,F9531BA35FDCB650_500D3C044E0546AC_6004_UN,8.2115135,00000000000000000000000010000000000000100000000001000000100000110100001100000100001000100010011001101010100011010101101101101111001011010110101101111101110111111111110,ZBACLGYIYNZVCF-UHFFFAOYSA-N
+O([C@H](CF)C1=CC(=CC=C1)F)C3=C2CCNCC2=C(C=C3)[N](=O)=O,81198E31CDDA066E_56979E0337C82AF6_6003_DP,8.211497,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110001001000101110110100010100001101101111111011110110001111111001110111110111110,QIVMBEOBSZIADD-QGZVFWFLSA-N
+CC(C)(CC1=CC(=CC=C1)NCC2CNCCC2C)C#N,50F6432905D21192_5068FF72D2D42DC7_6041_DP,8.211187,00000000000000000000000000000000000000000100000000000100000000000010000000100000101000100011000000101000100000011001101001000000110101010110011001010111010110101111010,HZPTVXAYFIEFQR-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NCC4=NC3=CC=CC(=C3[N]4C)C,15E4A260AAADDB1E_E393DE7D7CC134E3_6041_UN,8.211176,00000000000000000000000000000000000000100010000000000000010000100110000000010101001101110000010010101100010101011000101011100100110011110110001011011111010111101111110,DJZQYLAQMNMVTD-UHFFFAOYSA-N
+O([C@H](CF)C1=CC(=CC=C1)Cl)C3=C2CCNCC2=C(C=C3)[N](=O)=O,A17051AECA2264F4_31F52A8DC367FBBF_6003_DP,8.211171,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000110001001000101111110100010100001101101111111011110110001111111001110111110111110,ZZJCVTXQFIOJAC-QGZVFWFLSA-N
+C(C1COCCN1)C2=CN(C3=C2C=CC=C3)CC4=C(OC)C(=CC=C4)Br,2A008166811D0389_B88D04A16FFB724B_6034_UN,8.211171,00000000000000000000000000000000000000000000001000000000010000000100000000010000001101110001010111101100110111010100001011100111110010100110001111011011110111111111110,HUNAIPAZUMVHJV-UHFFFAOYSA-N
+COC1(CC4(C1)CNCC(OC2=CC(=C(C=C2)Cl)N3CCN(C)CC3)C4)OC,0F6D5D7EB8507677_45CD9810F5B44E65_6035_UN,8.211141,00000000000100000000000000000000000000000000000000000000000000100010000000010001001001110010010101101001010100011101101011110011110011110110011111111111110011111111110,NVBRWNKVLACNKZ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCCCC2)C#N)NC[C@H]3CNCC(O3)(C)C,B5BB6C3650DF7B9C_9CF594F1A3C9F70F_6041_DP,8.211119,00000000000000000001000000000000000000000100000000000100010000100010000000100000101000100010000100101000000010001001001011000000110111010110001001010101110111101111110,RBEIRRBCSXOZDY-LJQANCHMSA-N
+O([C@@H]1COC[C@H]1N2CCCC2)CC3=C(C=CC(=C3)C4=CC=CC(=C4F)F)F,2CFD6BE63CDD6CCC_6F654B974E5867F7_6039_UN,8.211117,00000000000000000000000000000000000000000010000000000000010000100000000010010000000101110100000111001000000101010000001011100111110011100110000111011010110111110111110,SVBORZZDAHROBL-WOJBJXKFSA-N
+COC1=C(C=CC=C1)CN2CCN(CC2)[S](C3=C[NH]C4=C3C(=CC=C4)C#N)(=O)=O,C5A7C7AF9E11C17B_FCEDAA937948AD5D_6029_DP,8.210932,00000000000000000000000000000000110000000100000000010001001111001101000001010001110101101000011011101110011010011100011011101111111000001110001111111011110111111111110,KCNBTMZHXUBJKW-UHFFFAOYSA-N
+CC1=C(C=CC(=N1)C#N)NC2=C(CC)C=CC(=C2)[N](=O)=O,DA5BE345B62C07D2_2686CFCD604506A1_6041_UN,8.210865,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000010001000100010000000000010000101101100001001010100001011001111000110111111110,NCIXCXLBQJYJPE-UHFFFAOYSA-N
+C2(=C1N=C([NH]C1=CC=C2)CC#N)NCC3C(CCCN3C)(C)C,734E492E7B4EC334_055B3B037256F810_6041_UN,8.210639,00000000000000000000000000000000000000100100000000000100000000000110000000110101101101100001010010101100110010011001101011100100110101010110011001011111010110101111010,COIHXVMWJMATDK-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)[S](=O)(=O)NCCC2=CC=C(CN(C)C)C=C2)OC,1F38E7EFA5918A57_08206729E3D1AE5F_6026_UN,8.210201,00000000000000000000000000000000110000000000000000010001001111001001010001100000011001101100011001001010101000011101011000101111001000001010111111111111110111111111110,HGHKRFWZYXTBJL-UHFFFAOYSA-N
+OC1=C(C4=C(N1CC2(F)CNCC23COC3)C=CC=N4)C#N,FCDDAA7BFD47B501_9BA10C5933DD3633_6034_UN,8.210185,00000000100100000000000000000000000000000110000000000000010000000110000000010001101101110011100011101100010101101100010011100101110100100111001110001011010111110111110,OKUTWEKJPMVVHH-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCC3C(CCNC3)(C)C,F162C953C3EF31DD_098DE58D8ADB3645_6041_DP,8.2097435,00000000000000000000000000000000000000000100000000000100010000100010000000100000101000100011000000101000100001011001101011000000110111010110001001010111010111101111110,GZAISFJZSCQJTC-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CN(C2=C1C=CC=C2)CC3CCN(CC)C3,54401DDE597DF6FF_32328481A398C35A_6034_UN,8.209477,00000000000000000100100000000010000000000000000000000000000000000100000000110000100101100000010010001100010010011010101011100100110000000110011000011100010110101111010,QBSBLWSAIAMQDO-UHFFFAOYSA-N
+OC1=C(C4=C(N1CC2(F)CNCC23CCC3)C=CC=N4)C#N,A63A3B4C5083E50C_724190F051B9CAC9_6034_UN,8.209387,00000000000100000000000000000000000000000110000000000000000000000110000000010001101101110011100011101100010100101100011011100101110100100111001110011011010111100111110,PYAMAKKIXXNDKL-UHFFFAOYSA-N
+C[Si](C)(C)C#CC(OC1=CC3=C(C=C1)OC2(CCCC2)O3)CC4=CC=CC=C4,ECA8DCABDE432176_D65578FA3D8393C1_6035_UN,8.209321,00000000000000000100100000000010000000000000000000000000010000000000000010100000000100100100010010000100010000001100001010010111010010000100010111111100100101011011110,YVRNANLFLUJSEO-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)CN=C=O)NCC(OCC)(OCC)C2=NC=CC=C2,D286E71D62446375_6126D3531290736B_6041_UN,8.209302,00000000000000000000000000000000000000000000000000000000000000000100000000000010101000000001000100101000000011101010010101010110110011010110011011100111111111111111110,XIXYUEYVDLDEST-UHFFFAOYSA-N
+CCC(COCC1CC(=NO1)C2CCCCC2)C3=CC4=C(C=C3)CCCC4,BC4E85EA8F2B79A0_69EA45853E1B92D6_6039_UN,8.209088,00000000000000000000000010000000000000000000000000000000010000100000000110000010000100100000001011000110010001010010101111001010110010000110000011010000110111011111110,GUDMRKQGJOVHFZ-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CSC=C1Br)NCCC2=C(OC)C=CC3=C2C=CC=C3,0A49C60F69A8E680_93CCB00FDB28455A_6026_UN,8.20902,00000000000000000000000000000000110010000000001000010001001111001001010001000000011100011000011010001110111110011100011000001111001000101100000111111011110111111111110,WJTMNAXYYANJGN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCO2)NC4=C3C=NC=CC3=C(N(C)C)C=C4,0D7D9EB76F344F3B_629AC909AE71AAEB_7022_UN,8.208844,00000000000000000000000000001000000000000000000000000000010000000100000010100000100101100000010011100100010001000100000011110100000001010100001011001101110011111111110,QGKUEOFNOCAHPM-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(C=CC(=C2)CN)Br,9800707EAF2AF6D0_514BB1F030B4C12B_6035_UN,8.208725,00000000000000000000000010000000000000000000001001000000100000010000001100000000001010010000011101001010100101010100001100101111001111110010101111111011110111111111110,SFODBCNWBWWSOK-UHFFFAOYSA-N
+CC(OCC1=CC(=CC(=C1)C)C)(CC2=CC=NC=C2)C3(C)CC3,A5384BF7794BFF06_9F1F73A4E90F6EA9_6039_UN,8.20823,00000000000000000000001000000000000000000000000000000000000000000110000000000000000000000000000000100000000011001001100001000110110010000100010001010100110101001111110,JDURNUUFOZAEOX-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)CC(CN)COC2=CC=C(C=C2)C3NCCCC3)Br,7C41C698116D19B8_5220B715A18B91AB_6035_UN,8.208112,00000000000000000000000000000000000000000000001000000000000000100000000000000000001010010011000001101000100101010100001001000111110100100110001111010011110111101111110,OWLMLNSSWFMEEI-UHFFFAOYSA-N
+N2CC[C@@H]([C@H](OC1=C(C=CC(=C1)OC)N)C2)C3=CC(=CC=C3)C(F)(F)F,89A27EC05D39282C_F633B1C635AC49B2_6035_DP,8.207795,00000000000000000000000000000000000000000010000000000000000000100000000000000000001010100101010100101000101100011100001001000111110111110110001111010011110011111111110,ZFDXEFZMGLTGBW-CRAIPNDOSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NC4=C3CNCCC3=N[N]4C,A0E49CC9CCF575CE_DDD203AA09D91385_7022_DP,8.207639,00000000000000000000000000000000000000100010000000001100000000000100000000010101101100110011011010101100110111010000001011101111110111110110001111011011110111101111110,HIYGLAVUEVZQJQ-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=CC(=C1)C#N)NC3=CC2=C(N(C)CCO2)C=C3,28F90973E6DEF481_13A8B2447F342235_6041_UN,8.207541,00000000000000000000000010000000000000100100000001000000110000010100001100010101100001100000011101101110010001010101101111101100001011010110001011111011110011111111110,USTWOKVTHLHECX-UHFFFAOYSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,B9D51549AC440796_D9344C7FA974A496_6041_UN,8.207539,00000000000000000000000000000000000000000010000000000000000000100100000000010101101101110011010010101100010110010001101011100100110001110110011011011111010110101111010,LVSBUYOXPFISFM-HRAATJIYSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NCC2(CCNC2)C)C3,65A725316980EA3C_E23C262332A65816_6041_DP,8.207443,00000000000000000000000000000000000000000000000000000100000000000010000000110001101101100011010010001000100010011001101011100000110101010110011000011101010110101111010,AJSMZVBOJKOCJA-UHFFFAOYSA-N
+CC4(C)C[C@@H](OC1=CC=C(C=C1)C[C@@H]2COCCN2)C3=C(C=CC(=C3)F)O4,A9B01F0D1D9045F4_29B6DC94F4BDE6B6_6035_UN,8.207429,00000000000000000000000000000000000000000010000000000000010000000010000000100000001000110101000100101100110101011101001011000111110010100110000111110101110111111111110,JWONVRWUBMMTNQ-DYESRHJHSA-N
+O([C@@H]2CC[C@@H]3CN(CC1=CC=CC=C1)C[C@H]23)CC4=NOC5=C4CC(C)(C)CC5,100D280D1C754005_76514D0FECA03057_6039_UN,8.207024,00000000000000000000000000000000000000000000000000000000010000000110000100110000000101100100001111001110010001011001101011101111110010000110001111011100110111111111110,QHWAVKYTFVOHDG-KAGYGMCKSA-N
+ClC1=CC=C(C=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]5N[C@H]4CCCC[C@H]4C5,DDBC3330596C3B2E_94F4AB69A5C2EB35_6034_UN,8.206626,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101010011000010001101110100010000001011100100110100100110001011011011010110100111010,UMOCSDHJWRIMAJ-SWYNNERLSA-N
+ClC1=C(C=CN=C1)C=CC3=C([N](CC2CCCN2CC)C(=C3)C)C,E0E5FD81C950F0CD_3E198579D5DA18DD_7019_UN,8.20646,00000000000000000000000000000000000000000000000000000000000000000100000000010001000101110000000010111001000110010010101011100100110000100110011010011110010110101111010,RILCELPPNJXEAN-UHFFFAOYSA-N
+FC1=C(C=CN=C1)C=CC3=C([N](CC2CCCN2CC)C(=C3)C)C,7A365E2CE12A7E23_B87813F4405F0240_7019_UN,8.206446,00000000000000000000000000000000000000000010000000000000000000000100000000010001000101110000000010111000000110010010101011100100110000100110011010011110010110101111010,GKDXUYHMXOQXED-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)C#N)NC(C2=CC(=C(OCCOC)C=C2)OC)C,97B3F09B5DCF60FD_E6DEC30E66D2F507_6041_UN,8.206295,00000000000000000000000000000000000000100100000000000000000000000100000010000101000000100000010100100000000001000101101001000111000011010110111111110111110111111111110,FLWPOOZARPERBY-UHFFFAOYSA-N
+C[Si]3(C)C[C@@H](N)[C@H](OC1=CC=CC2=C1N=C(C)C=C2)C3,984885E85EC86153_FE57FA203336FF4D_6035_UN,8.206228,00000000000000000000100000000010000000000000000000000000000000000100000000100000000110100011010110100100110000011101000011000111010011000110011101001111110011101111110,PQFJJZZNRAFZSK-UKRRQHHQSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CCC4(N)COC4,01B13128407F0E8B_D4F18CF847B9C1F0_6034_UN,8.20618,00000000100100000001000000000000000000000010000000000000010000000110000000010000101111110011000110001100110101011000001011100100110101100110001010011001010111100111110,HMIBLBMKUJDQEZ-UHFFFAOYSA-N
+C1(=CC=C(O1)C(F)(F)F)NCC3=CC=C(CN2CCCN(C)CC2)C=C3,7F30C12867363794_9F18A6AE808604B5_7022_UN,8.206092,00000000000000000001000000000000000000000010000000000000010000000000000000010001101101100000110010001000001110111001111011100100110001110110001000011001110110101111110,SUUNJQLKXWSBRU-UHFFFAOYSA-N
+O([C@H]1C[C@H](NCC1)C2=CC=CC=C2)C3=C(C=CC(=C3)SC)Br,0DC0D6512FE0CCB8_FDE78A1760088C3B_6035_UN,8.206036,00000000000000000000000000000000000000000000001000000000000100101000000000000000011000011001010001101000100100010100001001000111110010100100000111010011110011101111110,WIOMRLINVMYBDX-PBHICJAKSA-N
+CN(C)C2CCN(CCCOCC1=C(SC)C=CC=C1)CC2,854A3FAE651AD897_1341C4BFA3FC9904_6039_UN,8.205878,00000000000000000000000000000000000000000000000000000000000100001000000000110000110001101000010001101000000011010000101001100010110011000110011011011110010111101111110,MRJAKTIBESRDEI-UHFFFAOYSA-N
+CN1C(C(CC1)OC2=C(C=C(C=C2)CN3CCNCC3)Cl)(C)C,62CA179C1395CC37_2E754124B7E509F3_6035_UN,8.205723,00000000000000000000000000000000000000000000000000000000000000000010000000110001001101110001010111101001100110011101101011100011110010100110011111011111110111101111110,QOOPOXSQQYNELP-UHFFFAOYSA-N
+FC2=C(C=C1OC=CC1=C2)NCCC3=CC=C([Si](C)(C)C)C=C3,81DA3409356C9234_FC403C9AABA36F71_6041_UN,8.205566,00000000000000000000100000000010000000000010000000000000010000000000000000100000001100110000010011001100110100011000001000000100000001110100010011011111110110101111110,COZFPQWRRAECMK-UHFFFAOYSA-N
+C1(=CC=C(C=C1)N2CCC(=O)CC2)NC3=C(C=C(CCCC)C=C3)C#N,99EE3499725B4D2A_5ED71D25477D2011_6041_UN,8.205143,00000000000000000000000000000000000000000100000000000000000000100000000000010000100001100000000001101000000000010011101001100101110011010110001111011011111110101111110,FSYRQPVPVKCWMF-UHFFFAOYSA-N
+COCCOC1=CC2=C(C=C1)C=C(C=C2)OC3CCN(CC(F)F)CC3,3B3AFA989AB3D5CC_F3AB9115497F6C28_7022_UN,8.2046795,00000000000000000000000000000000000000000010000000000000000000000000000010010000000001100000010001101100010101010101101001100111110010100110000101111000110101111111110,CCYLSQVCMJKXOV-UHFFFAOYSA-N
+O(C1(CNCC1)CC2=CC(=CC=C2)Cl)C3=C(C=CC=C3)CCBr,2473EC0F5EF6B297_EF473890F3F437FB_6035_UN,8.204663,00000000000000000000000000000000000000000000001000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010011110101100111110,AEJPPJMRQMSRLI-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)OCCNC2)CC3=CN=C(N(C)C)C=C3,F342326C065974B8_AAE5CEAE2C9E9793_6031_UN,8.204547,00000000000000000001000000000000000000100000000000000000010000000100000000100100001001100000010101101100110001010100001011110110110011010110001011111101111111111111110,DTRJUKZNJDXMAJ-UHFFFAOYSA-N
+CC(C)(CC1=CC(=CC=C1)NCCC2(OC)CNC2)C#N,18C5DDB957276D24_1F01EEF529F22FAF_6041_DP,8.203695,00000000100100000000000000000000000000000100000000000000000000000010000000100000001000100011010101001000100010011001101001000011110111010110011100010101110111101111110,AAKWAWKJMLCTGT-UHFFFAOYSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCC3(C)CC=CCC3,B5B20773F8021A0E_22DAB39E37FDE8C7_6041_UN,8.203456,00000000000000000000000000000000000000000100000000000010000000000110000000000001001100000011000010011100010000011001101001000100110101010100001001010001010110101111010,BFDKKHGFHNIAGO-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)C3=C([NH]2)N=CC=C3)CCCOC4=CC=C([N](=O)=O)C=C4,069322D161AA6961_A052730BF5A057FE_6039_UN,8.203098,00000000000000000000000010000000000000100000000001000000100000010100001100000100000100000100001011100110010001000100001111101111001011010110101101111001110111110111110,HWAWKZMOMJONRO-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CCCCC2)C#N)NC[C@H]3CNCC(O3)(C)C,333648AC31A41C3B_260F805C6FA75DA3_6041_DP,8.203054,00000000000000000000000000000000000000000100000000000100010000100010000000100000101000100010000100101000000010001001001011000000110111010110001001010101110111101111110,LGKSQZHPHIGULU-GOSISDBHSA-N
+N(CC1=CC(=CC=C1)C2=NC=CC=C2)[S](C3=C(OCC)C=CC(=C3)CC#N)(=O)=O,B5D1B52905CE3173_34D9761119AB50C9_6029_UN,8.202699,00000000000000000000000000000000110000000100000000010001001111101101010001000000011000001100001001101010001001011110010001001111001000001110001111101011110111111111110,YDYSHBZQGQBENR-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NC3=NC=N[N]3C,762907F8637C2BF7_FEA26604493D30B1_7022_UN,8.202588,00000000000000000000000001000000000000000010000000001000000000000100000000010101100100010001011010000000001101000000001011101111110011110100001111011011110111101111110,PWSSJALNRCTGFT-UHFFFAOYSA-N
+FC2=C1N=CC(=C(C1=C(C=C2)F)NCC3CCNC(C3)(C)C)C#N,CCF1EAC79E3F5E35_56B93D8B6C5746E8_6041_DP,8.2024975,00000000000000000000000000000000000000000110000000000000000000000110000000100000101000010011000000101100110110011001101011000100110101110110001011010111010110101111010,KVKZQBIHPPZBLK-UHFFFAOYSA-N
+N#CCC1=CN(C2=C1C=CC=N2)C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl,50F13890DC1C8039_EDE0E6B06E8E9C32_6034_UN,8.202304,00000000000000000000000000000000000000100100000000000000000000100100000000010100101101110011000010101101010100010000000011100100110000100110001001001011010110100111010,VQZAKVYICQHTAG-LPHOPBHVSA-N
+C1(=C(C=CC=C1)COC2=CC=C(C=C2)F)NCC3(SC)CC3,AB7F8B64F13B21A3_DE93B3632FC9956B_7022_UN,8.202297,00000000000000000000001000000000000000000010000000000000000000001010000000000000011000011011010001001000000101001100100000000111110001110010000111010011110111101111110,VMWHIPVXEVDWFX-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)OC2CCOC2)C#N)NCCCN(OC)C,A0BE92FDCD3E6AA8_5CAB93E708983864_6041_UN,8.202109,00000000000001000000000010000000000000000100000000000000010000000000000110000000101100100110011011001010100011010101101000101011010011010110001110111111110111111111110,NVQSYJHVBSWKEE-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=CC(=C1)F)NC3=CC2=C(N(C)CCO2)C=C3,8C105E4417EF280D_C9C97EC3EDE3C14C_6041_UN,8.202017,00000000000000000000000010000000000000100010000001000000110000010100001100010101000001110000011101101110010101010101101111101100001011110110001011111011110011111111110,WMJDGNVQRGMBHY-UHFFFAOYSA-N
+N3CCN(CC(C)(C)OCC1=C2C(=C(N(C)C)N=C1)C=CC=C2)CC3,0B37C47776B3CAE7_B8FA40ECCB193091_6039_DP,8.201992,00000000000000000000000000000000000000100000000000000000000000000110000000110101001001100001010101101100110011011001101011100110110011010110011001011101110111101111110,ABEARTNPMRRNSK-UHFFFAOYSA-N
+O=C2N(C1=C(CCCC1)C3=C2C=CC=C3)CC4=C(N(C)C)C=C(C=C4)Br,0E0271601E9312C7_D55CEB89FEB4098F_6034_UN,8.201886,00000000000000000000000000000000000000000000001000000000000000000100000000110000100001110000110000101100010110110100011001100101110001110100001111011110011110101111110,MAUZHGRRCXJDGF-UHFFFAOYSA-N
+O(CC1=CC(=C(C=C1)F)C2=CC=NC=C2)C3=CC=C([S](C)(=O)=O)C(=C3)C#N,D46BB40A6D89CE0A_C4E47EE536E3F2C8_6003_UN,8.201837,00000000000000000000000000000000000000000110000000010001001111101101000001000000010000011000010000100010000101001100000001001111001000101100001111101010110101011111110,FQODWIAMRNIKTG-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=CN(C2=O)CC4(CC3=CC=CC=C3)CCNC4,C1C9C086251FAD05_919AAC86BF07CB48_6034_UN,8.201834,00000000000000000000000000000000000000000010000000000000000000000110000000010000101101110011100010101100110100111100011011100101110000100110001111011011011110100111110,RNXKWXOONOLJEM-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)OC(F)(F)F)NCC2=CC(=C(SC)C=C2)C,3F13605B8FC56723_E3139FAAFA3F65E6_7022_UN,8.201726,00000000000000000000000000000000000000000010000000000000000100001000000000000000011000001100010100001000001110001100000000000111000001110000010111000111110111111111110,UUVHBRMGUWXZDQ-UHFFFAOYSA-N
+CC(C)OCC(OCC2CCC1(CNC1)O2)C3=CC(=CC=C3)F,9417D525473EF110_6499D1148FF7A64B_6039_DP,8.20168,00000000100100000000000000000000000000000010000000000000010000000010000010100000001100110011000110001000010101001000101011000010110010100110000000110101110101111111110,HWLYWJJDWHEKPL-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)N[C@H]4[C@@H](C4)C5=C(C(=CC=C5)F)F,E20656BCC3E1261E_A8D9ED1CE6845FF3_6041_DP,8.20154,00000000000000000000001001000000000000100010000000000000000000100100000000010100101101110011000010101100111100010000001011100100110101110110001011011011010010100111010,IISATFDSCZUYLE-RPCCPQHDSA-N
+O(CCN2CCC1=C(C=CC=C1)C2)C[C@@H]3CNCC(O3)(C)C,7490BE1B3C69B119_691C9D275276D55A_6039_DP,8.201498,00000000000000000000000000000000000000000000000000000000010000000010000010110000001001100010000101101100010011011001001011100010110010000110001011011101110101111111110,FGLPEWUNTGPUTN-KRWDZBQOSA-N
+O(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CS2)C3=CC=C(C(=C3)SC)C#N,19C3EAA4B8BFC14A_E765143F60C0359A_6003_UN,8.201407,00000000000000000000000000000000110010000100000100010001001111001101010001000100010100001000011011000010001000001100010011001111001001011100001111101011100011111111110,BDJHCCVXEMCVHK-UHFFFAOYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC=C(N=C3)N[C@@H]5C4=CC=CC(=C4CC5)F,30346BE604FDDEF3_2C6202462FA29820_6041_DP,8.201379,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110011000010101100110100010000001011100100110101110110001011011001010010100111010,YONKHZDGJBTMKQ-GLJUWKHASA-N
+N(C1=C(N=CC=C1)N2CCOCC2)[S](C3=CC(=CC(=C3)CC#N)F)(=O)=O,B37A4BEF6FC6C0A6_F51CD76EA341FF31_6029_UN,8.200874,00000000000000000000000000000000110000100110000000010001011111101101010001010101010001111001001100101010001101011000011011101100111011111110001011111011010111110111110,JTDIFCHNXQDXIU-UHFFFAOYSA-N
+CS[C@H]3C[C@@H](OC1=CC=C(C=C1)C[C@@H]2COCCN2)C3,EC5C4E6382BCBAB8_B3B8A15F8841836B_6035_UN,8.200739,00000000000100000000000000000000000000000000000000000000010000001000000000000000011000101001010100101000100001010100101011000011110010000110000101010001110111111111110,WMQWZRLBQYKLBB-BMFZPTHFSA-N
+O(CCCCC1=CC(=C(C=C1)Cl)Cl)C3=C2C=CC(=CC2=NC=C3)[N](=O)=O,74A52DD597E38865_B0B1E9C08FE24A5D_6035_UN,8.200646,00000000000000000000000010000000000000000000000001000000100000010100001100000000100000010000001001100111010101000100001101101111011011110100001111111010110111110111110,WJZQPYIQIJSONO-UHFFFAOYSA-N
+CC1(C)CCC2=C1N=C(C(=C2)C#N)NC(C)C3CCCN3,32686108F8D84535_0CE6392066818A1C_6041_DP,8.200577,00000000000000000000000000000000000000100100000000000010000000000110000000100101101100000011000010101100110010011001101011000000010101010100011010010111010010101111010,LQRDZYDRLWEWKA-UHFFFAOYSA-N
+FC1=C(C2=C(C(=C1)F)N=CC=C2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,1E1445B43E59EADF_B1D6E7CA181E6DE3_6041_UN,8.200258,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110001011111101100010111010010101011101100110011110110001011011111110111101111110,BMYPHYZOHNGKKN-PXNSSMCTSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=C(OC)C=C(C(=C2)Cl)Cl)(=O)=O)OC,92A28BE84BC5794D_BAC5A253873935DC_6029_UN,8.19973,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000011100011001001011101110011100011000001111001000101000110111111111110111111111110,FBQQQNVVKKCBSA-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=C(OC)C=C(C(=C2)F)F)(=O)=O)OC,F15C09FF77763D1F_2245CB5BC6BA57F2_6028_UN,8.199719,00000000000000000000000000000000110000000010000000010001001111001001010011000000011000011100011001001010101110011100011000001111001000101000110111111111110111111111110,OCZHVVGAWQOFPI-UHFFFAOYSA-N
+COCC(OC1=CC(=CC=C1)CC2CNCCC2)CN3CCOC(C)C3,064F8F797647DEC4_D0B3AD12FCB1DBF6_6035_UN,8.199705,00000000000000000000000000000000000000000000000000000000010000000000000010010000001001100011010101101000100011010101101011100011110010000110001101111101110101111111110,GOHQAJZUYIMIFZ-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NCC2=C(OCCC)C=C(C=C2)C,197EDABE493844B6_7CEFE401424ADF8E_6041_UN,8.199656,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000000000011101101010000001000111001101101111101011010110111111111111110111111111110,QCKCEJMUOXZHIK-UHFFFAOYSA-N
+CC1=C(C=CC=C1NC(C2=[N](C=CC(=C2)OC)=O)=O)C#N,C9011BBB4FD463DF_7BB495B006D8A2B1_6038_UN,8.199633,00000000000001000000000010000000000000000100000001000000000000000100000100010001000000000100111101100010000000100100010001101111000001010100001111101111101011111111110,ZLCBOBFXCNCMMR-UHFFFAOYSA-N
+C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OC1=CC=C(C=C1F)C(F)(F)F)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,816B2E005B2794EB_2D042E80A8A044C9_6003_UN,8.199385,00000000000000000000000000100000000000000010000000100000000000100110000000001000000000010000000010110100011110001101101001000111110010100100000111010110100001001111110,QMGXLTQQTWBTBR-GFDXUBCRSA-N
+COC1(CC4(C1)COC(COC3=C(CNC2=NC=CC(=C2)C)C=CC=C3)C4)OC,D5A64CFD34ABF20C_93B11DD3492265E7_6035_UN,8.199358,00000000000100000000000000000000000000100000000000000000010000000110000010000100001100000000010011101000010001001100100011010111110011010110111111100111110111111111110,JJTSNMKTBWABLA-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NCC3(CCCNC3)F,9630B6DCB321CE12_010C291CD2F590BA_6041_DP,8.199032,00000000000000000000000000000000000000000110000000000100010000000010000000010001101001110011000100101000100101011000001011100000110111110110001011011011010111100111110,PBTSNYXHWSWJJG-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OC2CCCCC2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=CC=C4,606131725617BD8E_143ECB1D02164549_7022_UN,8.198788,00000000000000000000000000000000000000000010000000000000010000100000000000010000101001110001000100101000000111010110101011100111110011110110001111011011110111111111110,YXMYFAKCXKQPHM-DQEYMECFSA-N
+N(CC1=CC2=C(C=C1)OCO2)C(C4=CC3=C(OCC[N+]3(C)C)C=C4)=O,3C7260E60CD35144_C5369C4600923742_6038_UN,8.198344,00000000000000000000000000001010000000000000000001000000010000000000000010110000001101100000110110101100010001111101111011110100000010010110101011111101111111111111110,QRMVFVXXKBPIOE-UHFFFAOYSA-O
+FC(F)OC1=CC2=C(C=C1)N(C=C2)CC3CN(CC)C3,5C5E4AB2B6B04F65_7B47C0490333EA80_6034_UN,8.197991,00000000100100000000000000000000000000000010000000000000000000000100000000010000100101100000000010001100011100000110100011100111100000100110001100001000110111101111110,FAIYUQMVUSDABR-UHFFFAOYSA-N
+COCC2(COC1=CC(=C(C=C1)C(F)(F)F)CN)CC=CC2,A35EFCB60E1E77EB_FA75783E657CA67D_6035_UN,8.19783,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010100100010010011000001111001101000000000011010000100010000110000011110101111111110,URUJKOJBONSBTO-UHFFFAOYSA-N
+N(C1=C2C(=CC=C1)C=C(C=C2)F)C(C3=C(F)CNCC3)=O,4610DBE8B061DB7D_099E88FC9FE5DE78_6038_DP,8.19743,00000000000000000000000000000000000000000010000000100000000000000000000000001000001000110011100000111100110100110000011001000100110101110110001001010011011010100111110,XCSXSJSYSCMLNY-UHFFFAOYSA-N
+CC1=CC=C(C=C1)CC(OCC2CNCC3(O2)CCC3)C4CC4,C6464F1D1D283936_4FF62DC61D6A0283_6039_DP,8.196843,00000000000100000000001000000000000000000000000000000000010000000010000010000000001000100011000101101000010001001000001011000010110010000110000001010001110101111111110,ZNLDTOQUIBKAOQ-UHFFFAOYSA-N
+NC1=CN(C2=C1C=C(C=C2)Br)C[C@]34CNC[C@H]3CN(C)CC4,F194B36F3A82BBCC_3980FF1201DC853E_6034_UN,8.19668,00000000000000000000000000000000000000000000001000000000000000000110000000010001101111110011010010101100010110011001101011100100110101110110001001011001010110101111010,WWBKOJMWIGGWOR-SJCJKPOMSA-N
+C2(=C1C=CSC1=CC=N2)NCCC3=CC(=C(C(=C3)[N](=O)=O)OC)OC,C7F253258269319C_EDFB8CDA0AD2D771_6041_UN,8.196354,00000000000000000000000010000000000010100000000001000000100000010100001110000100011100001100011111101110110000010100001111101111001001010100101111111111110111111111110,LFNXEJVGNXLUII-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CNCC2)CC3=CC=CC(=C3)OC,F5BDAE52D6DDAF82_567E460A46A7352C_6031_UN,8.196248,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000100001010000101100110001010100001001010111110000000110000111110001111101111111110,AXQVCVSACOFKRQ-UHFFFAOYSA-N
+CC3C(OCC1CNCC2(O1)CCC2)CC4=C3C=CC=C4,62DF7AAE1F8AD3F6_20E34DA05925C745_6039_DP,8.196073,00000000000100000000000000000000000000000000000000000000010000000010000010000000001000100011000111101100010011001000101011000011110010000110000111010011110101111111110,JDGHLCAKOGXMKE-UHFFFAOYSA-N
+O(C[C@@H]1CC[C@@H](N1)C(F)(F)F)C2=C(C)C=C(C=C2C)C#N,F15547A0E51DEAD0_E0B7DD79E6832659_6035_UN,8.1958275,00000000000000000000000000000000000000000110000000000000000000000000000000000000000100000010000110000000101111011100001001000011110000100100001110010111110111101111110,FWALFAMEZLSOQO-QWHCGFSZSA-N
+C(CC1NCCC1)=CC2=C(C)[N](C(=C2)C)CCC3=CC=C(C=C3)Cl,0D60E9CA0F0B5B3E_F456EEE83832FF9A_7019_UN,8.195732,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101010011000010011001100110010000101011100100110000100110001010011111010110101111010,LIBROOGNKNINER-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCC23N(CCC2)CCC3,2AFB1D98F579C807_121D8E34272FE217_7022_UN,8.19569,00000000000000000000000000001000000000000000000000000000000000000010000000100000101101100001010110001100110001011101001001110011110001010110011110011111110111111111110,GZUOCLNAPCTOKC-UHFFFAOYSA-N
+O(C[C@@H]1CCCN[C@@H]1C(F)(F)F)C2=CC=CC(=C2)C(CN)N3CCCC3,959BB3B0ED9C3461_F7C60293D4ABA338_6035_UN,8.1956215,00000000000000000000000000000000000000000010000000000000000000000000000000010001001111100011000011101000101101011100001011100011110100100110001101011011110111100111110,LIXWYHFFVKNYRJ-YKOWGRMDSA-N
+CN(C)[C@@H]1CNC[C@H]1OC3=CC2=C(C(C)(C)CCC2(C)C)C=C3,9067DB3BE9E9CFF9_F75328939956340A_6035_UN,8.195612,00000000000000000000000000000000000000000000000000000000000000000010000000100001101101100001010111001100010010011101101001100011010011000110011111011111110011101111110,PNPCMBBSULTDKO-QZTJIDSGSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)N[C@H]4[C@H](CCNC4)C5=CC(=C(C=C5)F)F,2E24DCA084A99A7B_30F55DADB40E36F6_6041_DP,8.1954365,00000000000000000000000001000000000000100010000000000010000000100100000000010101101101110011000010101100111100010000001011100100110101110110001011011011010010100111010,NNCHCZCZVIPKPC-AXVVYFOYSA-N
+CC1=C(C3=C(N1CCOC2CCCNC2)C(=CC=C3Cl)Cl)CCN,B51A7FEDABC8D95E_B6960E1DB874277A_6034_UN,8.195435,00000000000000000000000000000000000000000000000000000000000000000100000000010000001111110011000110101101110111010000101011100111110110100110001111011011110111101111110,KDHUGJLEKURZPX-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CCNC2)CC3=C(N(C)C)C=CC=C3Cl,204AAB29EE4A1D6F_7FEA782451616E02_6031_UN,8.195396,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001110001010001101101110111010000001001110110110001110110001011011111011111111111110,DFPCSDOVVOVMDJ-UHFFFAOYSA-N
+CC(C)(C#N)C1=NC(=CC=C1)NCC2(OC)CCSC2,6A6B4CA681CEC417_D844DFCDDF3C5826_6041_UN,8.1953945,00000000000000000000000000000000000010100100000000000000000000000110000000100100101100101011010110101000000010001000101011000011110011010110011100010101110111101111110,FHCAXOFZTFANIU-UHFFFAOYSA-N
+FC1(CC1)C2=CC=C(C=C2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,B5E9C65EE25917BF_B294EA5B9623322B_6041_UN,8.195331,00000000000000000000001000000000000000000010000000000000000000100010000000010001100101110011010010001000100110011001101001100100000001110100001011011011010010101111010,UWGXODLJSGJGIG-MOPGFXCFSA-N
+O([C@@H]1COC[C@H]1N2CCOCC2)CCC4COC3(CCCC3)O4,D2C0196B77569930_48B0FA5EC588F648_6039_UN,8.195262,00000000000000000000000000000000000000000000000000000000010000100000000010010000000101100100000111101000010001011000001011110011110011000110100100111010110111110101110,LIWSMNCRSYGZDC-ANGDWKNPSA-N
+COC2=C1C=CC=CC1=C(C=C2)[S](=O)(=O)N3C4(CNCC3)CC4,7A3509A7A3C4C688_0B237BCDE0DC3D0E_6026_DP,8.19486,00000000000000000000001000000000110000000000000000010001001111001011000001010001011000101011011000101110111000011100011011101111111000001110001101111001110011111111110,ARUNULLFOWEJTJ-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)CC#N)NC3C2CCNC2C3(C)C,62BA7FAE171AB83D_BF7599BEA0069058_6041_DP,8.194451,00000000000100000001000000000000000000000110000000000100000000000010000000100000101100010011000010001000110110011000001001000000000101110100001010010111010110101111010,FMBYSQKPXNPLHQ-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1OC(=O)C3=C2C=CC=CC2=CC(=C3)[S](=O)(=O)Cl)C4,2F22F5D7C59A3C70_73A3322998E2F99A_6038_DP,8.194244,00000000000000000000000000000001000000000000000000010001001111001001000001000000011000101001000000101111111100011100001001011111111000101110100111111001111001110111110,ZBSQAYOXKILTGD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)N2CCN(CCC#N)CC2)NC4=CC3=C(C=CN(C)C3=O)C=C4,8F3999E238E23144_F33A69FD54EBACCF_6041_UN,8.193981,00000000000000000000000000000000000000000100000000000000000000100100000000010001100001100000110000101100010000110100011011100101110001010110001111011011011110101111110,VXFWZCOTLVOZCM-UHFFFAOYSA-N
+N(C1=CC2=C(C=C1)COC2)[S](C3=C(N(C)C)C=CC(=C3)C#N)(=O)=O,70EA5BC364732196_95B8CCC89A7924C5_6029_UN,8.193139,00000000000000000000000000000000110000000100000000010001011111001001010001100000110101101001011011000110011001001000010000101100011001011110001011101111010011111111110,SBOUUOJFKNNXDF-UHFFFAOYSA-N
+CN(C)CC(OC1=C(C=NC2=C1C=C(OC)C=C2)Br)CN3CCNCC3,E12AAEB1E7B6D302_625C6DBA22127C0B_6035_UN,8.192929,00000000000000000000000000000000000000000000001000000000000000000100000000110001101001110001010101101100110110010101001011100111110010100110011111011111110111111111110,NEIBYAIMHVTREP-UHFFFAOYSA-N
+CN(C)CC(OC1=C(C=NC2=C1C=C(OC)C=C2)Cl)CN3CCNCC3,DD8980A8586BDEE4_C9242166D240D642_6035_UN,8.19292,00000000000000000000000000000000000000000000000000000000000000000100000000110001101001110001010101101101110110010101001011100111110010100110011111011111110111111111110,JNAUBVJJRFVDPT-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C#CC#N)NC3C2CCNC2C3(C)C,BF6A49E64528D7D2_054DCD2E282E016E_6041_DP,8.192782,00000000000100000101000000000000000000000100000000000100000000000010000000100000101100000011000010001000110010011000001001000000000101010100001000010111010010101111010,HWZLSQFZZJTLEN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CC3=C2C=CC=C3)NCC4(N(C)C)CC4,B7CF6797236DE733_00B4232E0D2E8A3A_6041_UN,8.192745,00000000000000000000001000000000000000000000000000000000000000000010000000100001001001100011010010001100010000011000100000100100010001010000001011011101010110101111010,IMXVLRZLSNWGNP-UHFFFAOYSA-N
+FC1=C(C(=C(C=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F)F)CC#N,2EB769450B4FD7EB_284A6944AC28147A_6041_UN,8.192594,00000000000000000000000000000000000000000110000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010110101111010,YGRBEPWKDCOSGE-MJGOQNOKSA-N
+O[C@H](CBr)C1=C(C=CC=C1)NCC(C)(C)N2CCOCC2,87BAAEC3DA9A6918_C615017BC9FDC8EF_6041_UN,8.192434,00000000000000000000000000000000000000000000001000000100010000000010000000110001001001100001000101101000100011011001101011100000110111110111001011011111110111111111110,JIRZPAFPGPKJBV-OAHLLOKOSA-N
+CN(C)[C@@H]1CCC[C@H]1OC3=C2C=C(N=CC2=CC=C3)Cl,F39EC7B44F93B80D_706F4B1956B133B9_6035_UN,8.192256,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001110000010110100101010110010100101001100111010011100100001101011110100011101111110,XHHJQKRSFATCFL-UKRRQHHQSA-N
+CCC1=C(C=CC(=C1)NC2=CC(=C(C)C=C2)[N](=O)=O)N=C=O,99BB5A602843345C_88ED26B318F5BB9F_6041_UN,8.1911545,00000000000000000000000010000000000000000000000001000000100000010000001100000010100000000001001000000010000000100010010100101100001001011000001011101111001110111111110,KXBUJALBQCXENC-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CN[S](C2=CC(=CC(=C2)CC#N)F)(=O)=O)OC,330C41EDB2DEC2F3_BBF65A6761F427CE_6029_UN,8.190788,00000000000000000000000000000000110000000110000000010001001111001001010011000000011000011000011000001010001100011100010000001111001000101000101111101111110111111111110,IZJAHLHEQCEVTK-UHFFFAOYSA-N
+COC(=O)CC1=NC(=C(C=C1)C)NCCC2=CN=C(N(C)C)C=C2,8A7393EF1AE16486_5F0E62593B1C8818_6041_UN,8.190731,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001100001010001101000100010010000101011110110000011010100011011011111011111111111110,PTEZKEMSAWAWCF-UHFFFAOYSA-N
+COC1=C(N=C(C=C1)[N](=O)=O)NCC2=C(C=CC(=C2)OC)F,A3129CFD46EAABD2_B9D6F44217B5FA13_6041_UN,8.190433,00000000000000000000000010000000000000100010000001000000100000010100001100000100101000010000011100101010000100000100000101101111001001110100101111101111110111111111110,XOENNPKFUFZURF-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C(C#N)C#N)NCC2NCCN(C)C2,2A0065727CC0B9B3_1D8E693A54CCFEA7_6041_DP,8.190003,00000000000000000000000000000000000000000100000000000010000000000000000000010001101001100011010000101000100010010001101011100000110101010110001001011001010110101111010,KDGZOSLYKNXXHK-UHFFFAOYSA-N
+COCOC1=CN=C(C=C1)NC(C2=CC=C(C(C)(C)C)C=C2)(C)C,D01EFEC59B6D8905_364835D1B9520214_6041_UN,8.18989,00000000000000000000000000001000000000100000000000000000000000000110000000100100000000100000010100100000000001001101000001010111000001010100011101000101110111111111110,DBZQGIPFXXBCFV-UHFFFAOYSA-N
+C1(=NC=C(C=C1)CN2CCOCC2)NC4CC3=C(C=N[N]3C)CC4,F143AC4882A01464_47A0FEDCF840442D_6041_UN,8.189815,00000000000000000000000000000000000000100000000000001000010000000100000000010100100101100010011110101100110011010000101011101100110011010110001011011001010111101111110,MARIYSHMUPJWCC-UHFFFAOYSA-N
+CC1=C(C3=C(N1CCN2CCOCC2(C)C)C=CC=C3)C4CCNCC4,CDD4FBA0C2416D35_A5080AE9411D041F_6034_UN,8.189348,00000000000000000000000000000000000000000000000000000000010000100110000000110001001101100001000110101100110011011001101011100100110010000110011011011111010111101111110,YOLRPGCCJNXJFL-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC2CNCC(C2)(C)C)CCC#N,EA940D53F79F7486_848B25EF3C4EAF9F_6041_DP,8.188937,00000000000000000000000000000000000000000110000000000010000000000010000000100001001000110011000000101000100110011001001001000000100101110110001011010111010110101111010,IXBTWESUEFGFQD-UHFFFAOYSA-N
+COC1=C(C=CC(=N1)C(F)(F)F)NCCC2=CN=C(N(C)C)C=C2,1EE212207022E6B9_79BD73D4485A490F_7022_UN,8.188829,00000000000000000000000000000000000000100010000000000000000000000100000000100101001001100000110100101000101100111100011011100111000001110100011111011111010111101111110,XZEGGPBBNBWRDC-UHFFFAOYSA-N
+CC1=CN(C2=C1C=CC(=C2)F)CC3(CC)CCNCC3,50CAA7A9F1326368_9F101D5C74350649_6034_UN,8.188712,00000000000000000000000000000000000000000010000000000000000000000110000000010000001101110001000010101100110110011010101011100100110000100110001001011101010110101111010,OWDHHGQEGCFFPG-UHFFFAOYSA-N
+CC1=CN(C2=C1C=CC(=C2)Cl)CC3(CC)CCNCC3,178EF349C27ACCF0_135242E631538D1A_6034_UN,8.188698,00000000000000000000000000000000000000000000000000000000000000000110000000010000001101110001000010101101110110011010101011100100110000100110001001011101010110101111010,FALNZQGQWPPPJD-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NC[C@@]23CCN[C@@H]2CCC3)F)C#N,C296C2EE1BE42345_8B87983F26EAE040_6041_DP,8.188641,00000000000000000000000000000000000000000110000000000100000000000010000000000000101100010011000010001100110100011000001001000000110101110110001010010011010110101111010,QPKGLLIZUSFWTF-HZPDHXFCSA-N
+O(CC12CCC(CC1)(C(F)(F)F)CC2)CC3=CC=C(CF)C=C3,CB008517FF291067_A2668F9A8FA581D7_6039_UN,8.188546,00000000000000000000000000000000000000000010000000000000000000000010000000000000000000100000000000000000011101001000001000000010110000100010000001010000010101000011110,KWNBCJUXGQZPPZ-UHFFFAOYSA-N
+CCC1=C(C(=CC=C1)CC)NCCN2CCC(N(C)C)CC2,4AA571713D5A2202_BC1449132665BF6F_6041_UN,8.188406,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001100011010000101000100010010010101001100000110001010110011011011111010110101111010,WBSMUNJFRWAKPD-UHFFFAOYSA-N
+C[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)NC3=C(C2=C(OC)C=CC=C2)N=CC=C3,7E651974492208FD_27C24AC2F488FE79_6041_UN,8.188369,00000000000000000000000010000000000000000000000001010001101111111101001101000001010000001000011001100010000000001100000101101111001001011100101111101111100011111111110,WRYBUQRPFJGUFV-UHFFFAOYSA-N
+NC3(COC1=CC=CC2=C1CCNC2)CCC(F)(F)CC3,9970B5253106F11C_4041E553C937F781_6035_DP,8.188181,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110011000100101100110101011100001001000011110101100110001111010001110111100111110,IIXQVLWUXVQZAT-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C#N)NCCC2CCNCCC2(F)F,082192B057DC6ED0_2E9F56C10E674A91_7022_DP,8.187776,00000000000000000001000000000000000000000110000000000000000000000000000000000000001000110001000000001000100100011000001001000000110101110110001000010011010110100111010,HAYONIOKQFBRST-UHFFFAOYSA-N
+CC(C)(F)C(C)(F)COC1=CC=C(C=C1)C2NCCCC2,7453C8C9EC2575B9_D09CE47A3B63E638_6035_UN,8.187425,00000000000000000000000000000000000000000010000000000000000000100010000000100000001000000011000000101000100101011101101001000011110000100110010101010101110111101111110,XNMAXETZDHGGTO-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N(C(=N2)C3NCCC3)C[C@]45CCC[C@H]4NCC5,90E9B54569DCE1AB_E80D52152FD5353F_6034_UN,8.187365,00000000000000000000000000000000000000100000000000000000000000100110000000010101101101000011000010001100110000011000001011100100110100000110001010011011010110101111010,BXALZVWFHTULRT-RMNMTYGKSA-N
+C1(=CN=C(C#N)[NH]1)C2=C(OCOC)C=CC(=C2)C(C)(C)C,8CA9F92B845E22BD_5D8D540DF80626D3_6004_UN,8.187228,00000000000000000000000000001000000000100100000000000000000000100110000000100101000100100000010011000000000001001101000011010111000000000100011110000111110111011111110,PYSWBNDJTBHZJL-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NC2=CC=C([S](N(OC)C)(=O)=O)C=C2)Cl,26CA5F5A0B7E2870_91248A2220A45F83_7022_UN,8.186579,00000000000000000000000010000000110000000000000000010001001111001001001111000000010000111001011000000011001101001001010000101110001001111000111011101111010111111111110,SKGUDXZYPRMUMV-UHFFFAOYSA-N
+CC(OCC1=CC=CC(=C1F)F)(CC2=CC=NC=C2)C3(C)CC3,9B5A3AA130C920C6_9C38A4FFA4B39C23_6039_UN,8.186422,00000000000000000000001000000000000000000010000000000000000000000110000000000000000000010000000000100000000111001001100001000110110010100100000011010110110101001111110,JMPGDDBBOOCXJK-UHFFFAOYSA-N
+O(CC1COCCN1CC2=CC=CC=C2)CC3CNC(CO3)(C)C,9B8CDB44FAF84C40_739449D567014845_6039_DP,8.186289,00000000000000000000000000000000000000000000000000000000010000000010000010110000001001100111000101101000100001011001101011100010110010000110001001111111110111111111110,PVWMKITZSWNCRE-UHFFFAOYSA-N
+CN(C)CC(OC2=NC=C1C(=CC=CC1=C2)Br)CN3CCNCC3,73B034C52D39D6A8_9D89AAAF03990BC6_6035_UN,8.186118,00000000000000000000000000000000000000000000001000000000000000000100000000110001101001110001110100101100110110110101011011100111110010100110001101011101110111101111110,NMJSPKSLTIZYAS-UHFFFAOYSA-N
+COC2=C1C=NC=CC1=C(C=C2)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,1E086941D91B6485_C58A5575E212364B_6041_UN,8.185837,00000000000000000000000000000000000000000000000000000000010000100100000000010000101001100001010101101100010011010101101011100111110011010110001101011111110111111111110,BTSVYZPICJWNSO-VXKWHMMOSA-N
+FC1=C(C=CC(=C1)C2CC2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,03C264314090E1EA_F1D3DFE6E8C401F5_6041_UN,8.185705,00000000000000000000001000000000000000000010000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010010101111010,MONQVXKVTVFASM-UXHICEINSA-N
+CC5(C)CCC1=C(C4=C([N]1CC2CC3(CCN2)CC3)C=CC=C4)C5,7A7501553F7BCD93_AFAE93FB8857D572_6034_DP,8.185677,00000000000000000000001000000000000000000000000000000000000000000110000000110001001101000001000010101100110000011001101011100100110000000110001011011101010110101111010,VKXIBFDDCPCTNF-UHFFFAOYSA-N
+CC1=C(C(=CC(=C1)NC[C@@]23CCCN[C@H]2CCCC3)C)C#N,5F932C1801582ED7_67FC5DC030C9DF02_6041_DP,8.185252,00000000000000000000000000000000000000000100000000000100000000000010000000000000101000000011000000101100110000011000001001000000110101010110001011010111010110101111010,RTCVUTGUFOPOQR-RBUKOAKNSA-N
+FC1=C(C=CC(=C1)OCC#N)NC2=C(C=C(C[S](C)(=O)=O)C=C2)C#N,B00F7F2C245279F3_5E3958B4796A8300_6041_UN,8.185246,00000000000000000000000000000000000000000110000000010001001011000001000001000000100000111000010100000010000101011101000000001111001011111010001111101011110111111111110,XAVNAVYGQQSFFS-UHFFFAOYSA-N
+COC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C)CCC4N(C)CCOC4,83DEBE0B647F32C0_009C02FB1BBFD079_6034_UN,8.18486,00000000000000000000000000000000000000100000000000000000010000000100000000010101101101100000010110101100010011010101101011100111110011010110011111011111110111111111110,VKLOQAWQVNPINZ-UHFFFAOYSA-N
+O(C2=C1C=CC=NC1=C(C=C2)[N](=O)=O)C(C4=CC3=C(C=C(N(C)C)C=C3)C=C4)=O,4DCEC3560AE8600D_D94B57E602DA4C5F_6038_UN,8.184513,00000000000000000000000010000000000000000000000001000000100000010100001100100001000001100000011001100110010000000100000101111111001001011100101101101100101011111111110,UFMOHHYYYGLUQL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NC3(CCC(C)CC3)C,4AAFEEA78877B003_0EEDB92F97FEF856_6041_UN,8.184489,00000000000000000000000000000000000000000100000000001000000000000110010000000001100100000010001010000100110000011001101011001100110101010100001001010101000010101111010,FRTPUKNZWCODGE-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=CC(=CN=C3)C#N,43E719C3C8B9B87D_45966AAEAA275D6F_7022_UN,8.184446,00000000000000000000001000000000000000000110000000000000000000100110000000000000101000010000000000101000000100001000000001000100000001110100001011010011010110100111010,LBMOFTYUMSPMIU-UHFFFAOYSA-N
+C1(=C(CC#N)N=C2C=CC=C[N]12)NC3C(C(OC)C3C)(C)C,81956743105C93D3_27E77BB902065A89_6041_UN,8.1844425,00000000000100000000000000000000000000100100000000000000000000000110000000100101100101000010010011100100010000011000000011100111000001010100011110001111100111101111110,USINEKIXLLFXTG-UHFFFAOYSA-N
+CN[C@@H]3[C@@H](OC1=CC2=C(C=C1)C(=CC(=O)O2)CCl)CNC4=C3C=CC=C4,4A92DC95C50C65E7_470EBD3E946215C9_6035_DP,8.184426,00000000000000000000000000000000000000000000000000000100010000000000000000000000101000000110010100101101010010000100000011010111000111110110001111100011111111111111110,XXCKEXZMVPJLPA-ICSRJNTNSA-N
+ClC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC(=NC=C2)N(C)C)C#N,ED3354CD7788F914_7CEC0E55536151F5_6026_UN,8.183912,00000000000000000000000000000000110000100100000000010001001111001101010001100100110001111000011000100011001100001000010001101100001001111100001011001111000010111111110,IWZGJGLVNRBFDU-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)[S](=O)(=O)NC2=CC(=NC=C2)N(C)C)C#N,7FF0419D49D9C929_0B9F1A30DEEB462D_6026_UN,8.183895,00000000000000000000000000000000110000100110000000010001001111001101010001100100110001111000011000100010001100001000010001101100001001111100001011001111000010111111110,FVZMMWKCLQNHAM-UHFFFAOYSA-N
+C1(=CSC(=C1)CC#N)NC2=CC(=C(CC)C=C2)[N](=O)=O,8E966065D899193A_73177C6B9ABFDCBA_6041_UN,8.1836405,00000000000000000000000010000000000010000100000001000000100000010000001100000000110100001001001010000010000000010010000100101100001001010100001010001011000110111111110,XDFMAXVDTSUGFH-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NCCOC2CCNC2,324D19556C01811C_DF1B030AD7492749_6041_DP,8.183383,00000000000000000100100000000010000000000000000000000000000000000000000000100000001100100011010111001000100001011000001001000011110111010110011100011101110111101111110,MXVBAQFZGWNFDX-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OC(=O)C(=C2)C#N)NC3=CC(=C(C=C3)F)N4CC[S](=O)(=O)CC4,4C2ABEEA046ECF39_56CED88A1B26646A_6041_UN,8.183376,00000000000000000000000000000000000010000110000000010001011011100001000001010000100001111000000001101110010100011100001011111101111011111110101111111011111010110111110,KTPQADHXXRQSRR-UHFFFAOYSA-N
+O=[N](=O)C2=C1N=CC(=CC1=CC=C2)NCC3=CC(=C(N(C)C)C=C3)F,0CE05DC379C687C2_A746FB2E2369DE79_6041_UN,8.183292,00000000000000000000000010000000000000000010000001000000100000010100001100100001001001110000011001101110010100000000000101101100001001110100001011001111010110111111110,MQQBZCMUAOUXTK-UHFFFAOYSA-N
+N1CCC(C(OCC(=C)C#N)C1)C2=CC=C(C=C2)C(F)(F)F,5656020B719559A4_FF9635A39C1C9F70_6039_DP,8.183217,00000000000000000000000000000000001000000110000000100000000000100000000000001000001000100001000101111000101101011000001001000011110010100110001101010011110101100111110,UKTOGDAPWCUSMN-UHFFFAOYSA-N
+CC1(CC2(C1)CNC2)OC3=C(C=NC4=C3C=C(C)C=C4)C#N,3B38B6000258ED9D_5BEE1CE862C14C0D_6035_UN,8.182541,00000000100100000000000000000000000000000100000000000000000000000110000000000000101000100010000001101100010010001101000011000111100010000110001111000111110011101111110,HDUNTACNPVHFTP-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)C#N)NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3)C,B6A0F4DAC349AE42_13D5543212BDB4B1_6041_UN,8.182523,00000000000000000000000000000000000000000100000000010001001111001001000001000000110000001000010000000010000000001100000000001111001001011000011111101111100011111111110,QTAHXWBJUMKLSD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCCC3=CC=C([Si](C)(C)C)C=C3,1D3988AB010A9F0F_13A09CA1639BA9EE_6041_UN,8.182438,00000000000000000000100000000010000000000100000000000000010000100010000000100000001000100000010000101000100001011000001000000100110011010110011001011101010111101111110,PRYZZKJWUFNZFN-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=CC1=CC=C2NCC3CNCC4(O3)CCC4,C91A29BECB300D82_C44A864583E5D3EC_6041_DP,8.181903,00000000000100000000000000000000000000000000000000000100010000000010000000100001101001100011010100101100010000001000001011100100110111010110001011011111110111101111110,OAXMLBCSZHQSBY-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCCC2)C#N)NC4C3CCCNC3C4(C)C,2F6835B1AB9DA204_8E3485E137F1C421_6041_DP,8.181419,00000000000100000000000000000000000000000100000000000100000000100010000000100000101000000011000000101100110010011000001001000000110101010100001001010111010010101111010,QPBWSDIOJCIBHI-UHFFFAOYSA-N
+C(C1CCNCC1)C2=NC=CN2CC3=C(N(C)C)C=CC=C3Cl,8EAD904A68EC8D30_5690406D31A542A7_6034_UN,8.18137,00000000000000000000000000000000000000100000000000000000000000000100000000110101101101110001010010101001100110010000001011100100110001110110001011011111010110101111010,JUPSWWRJJFROHU-UHFFFAOYSA-N
+COC(=O)C1=C(N=CC(=C1)C2=C(C=C(OC)C=C2)CN(C)C)Cl,F81D08ED98E24D01_C4F6851C78A3EE9C_6004_UN,8.181139,00000000000000000000000000000000000000000000000000000000000000100100000000100000000001110000010001101001000100000101000001110111000000100100011111101110111111111111110,KODCIIIOQRISFN-UHFFFAOYSA-N
+CN(C)CCC1=CC=C(C=C1)O[C@H]2CCN(CC(F)(F)F)C2,AFE4969371456C27_7B95D0A9D6892DDC_7022_UN,8.180508,00000000000000000000000000000000000000000010000000000000000000000000000000110000000101100000010111001000001100011101101001100011110010100110001100011100110101101111110,CYIOLEKZBAYAFP-HNNXBMFYSA-N
+COC2=C1C=CN=C(C1=CC=C2)NCC(C)(C)CCC#N,4A753FADD4097BF9_4F31E800E0F3DABC_6041_UN,8.18044,00000000000000000000000000000000000000100100000000000000000000000110000000100100001000000011010000101100010000011101101001000111010001010100011101010101110111101111110,QMLUHCZLTDJFNP-UHFFFAOYSA-N
+O=[N](=O)C1=CC(=C(C=C1)CC#N)NC2=C(N=CC(=C2)OC)F,B5EB929C642C9C46_E132EA967AD7B7BA_6041_UN,8.180054,00000000000000000000000010000000000000000110000001000000100000010100001100000001100000010010011101100010000100010100000101101111001001110100001111101011100111111111110,VRUJBPQTHUVDJR-UHFFFAOYSA-N
+CC[N]2N=C1C(CC3(OC1=C2)CCNCC3)OC4=CC=C(C=C4)CN5CCOCC5,58DE97DD995EC64A_46EADFC922E38B72_6035_UN,8.1790695,00000000000000000000000000000000000000000000000000001000010000000110000000010000101101100101001111101100110001011110001011101111110010000110001111111001110111111111110,TWWJLWGQCQJIPI-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)NCC3(OCC)CCC3,2BC1D94AD23E6362_633E2EF057F5DA6D_7022_UN,8.178732,00000000000100000000000000000000000000000000000000000000000000100010000000000000001000010011000100001001000111001010001000000111110011110010000101010001110111101111110,WAFDTGYEGDLUSE-UHFFFAOYSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NCC[C@@H]2CCCN2)C3,19317E728719AE0E_5BBAFCF2AC449C62_6041_DP,8.178428,00000000000000000000000000000000000000000000000000000100000000000000000000110001101101100011010010001000100010010000101011100000110101010110001000011101010110101111010,MJYITLNVZRQHRO-KKFHFHRHSA-N
+N(CCC1=C[NH]C2=C1C=CC(=C2)F)C(C3=C(N(C)C)C=CN=C3)=O,D2D44CCB167001BE_F0DF99B32F0B73F0_6038_UN,8.178158,00000000000000000000000000000000000000000010000000000000000000000100000000100000101101110011110011101100110100110000011011100100000101110100001011011111011110101111110,AYFKRMFPVSHJLW-UHFFFAOYSA-N
+ClC2=C1N(C=C(C1=CC=C2)CC#N)C[C@@H]3CNC[C@H]3C,07010D2E4A877789_180F370D1C7D9A00_6034_UN,8.178128,00000000000000000000000000000000000000000100000000000000000000000100000000010000101101110011000010001101010110010001100011100100110000100110001000001011010110101111010,BEURXGWUMPAZCK-YPMHNXCESA-N
+BrC2=C1N(C=C(C1=CC=C2)CC#N)C[C@@H]3CNC[C@H]3C,8FD644FB54948C01_2D43DEF82BC88E7A_6034_UN,8.1781025,00000000000000000000000000000000000000000100001000000000000000000100000000010000101101110011000010001100010110010001100011100100110000100110001000001011010110101111010,YRUDYAHPLORTLK-YPMHNXCESA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NCC2=CC(=C(SC)C=C2)C#N,DCE24830971C9D27_C76823D0313426FA_6041_UN,8.177901,00000000000000000000000010000000000000100100000001000000100100011100001100000101011000001000011101101010000000000100000101101111001001010100001111101111110111111111110,LFEKVBZXHBSZPU-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)CN[S](C2=C(C)C=CC(=C2)CCl)(=O)=O)OC,F2AA5D9D0389274E_BEC53CE6132B13CF_6029_UN,8.177797,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000001100011001001011001010001100010000001111001000101010110111101111110111111111110,HHFLDDXLYODTRI-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)CN[S](C2=C(C)C=CC(=C2)CBr)(=O)=O)OC,F9E046E4168A2EDB_8F514B65205AA612_6029_UN,8.177786,00000000000000000000000000000000110000000000001000010001001111001001010001000000011000001100011001001010001010001100010000001111001000101010110111101111110111111111110,XUDQYTJVTBVXKU-UHFFFAOYSA-N
+N4CCC1=C(C=CC=C1OC(C2=CC3=C(C=C2)OC(=N3)N(C)C)=O)C4,E879EA07F035998C_8A679A081575F6D3_6038_DP,8.177707,00000000000000000000000000000000000001000000000000000000010000000100000000100100001101100001010110101100111000110100011011110111110001010110001111111101111011111111110,GNBWFWIRHSYVOE-UHFFFAOYSA-N
+COC1=CC(=CC(=C1)OC)C(OC3=CC=C(CNCC2N(CC)CCC2)C=C3)C#N,B6AB72CD5A372A8A_99020EC5AADF4B9C_6035_UN,8.177692,00000000000000000000000000000000000000000100000000000000000000000000000000010001001101100111010110001000000010010110101001100111110000000110011101111111110111111111110,NEVAZEMDROMSQG-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCC3CCNC3(C)C,9576886C13EABABC_5A57CB7A83508983_6041_DP,8.17719,00000000000000000000000000000000000000000100000000000100010000100010000000100000101100100011000010101000100011011000101011000000110111010110001001010111010111101111110,CHBNHFFWGOASGA-UHFFFAOYSA-N
+O(C1(CCCC1)C2=NC=C[NH]2)CC3=C(F)C=C(C(=C3)F)C#N,B1CEF002D23048ED_E9D2832D0B10729D_6039_UN,8.176987,00000000000000000000000000000000000000100110000000000000000000100110000000000101000100010011000110000000000101001000001011000111110010100100001110010011110111000111110,ROVRURKSWYNCFE-UHFFFAOYSA-N
+COC(=O)C2=C1C(=CC=CC1=CC=C2)NCC3N(CCN(C)C3)C,69020022EB042FCB_F735B1F27536730A_6041_UN,8.176736,00000000000000000000000000000000000000000000000000000000000000000000000000010001101001100011010000101100010010010001101011110110110001010110011001011111011111111111110,NGIMIQFNNHRWCK-UHFFFAOYSA-N
+N4CCCC1=C(C=C(C=C1)NC([C@@H]2[C@H](N(C)C(C2)=O)C3=CC(=CC=C3)F)=O)C4,321E4C2F519C4079_B4A8CBCA88F6CBF3_6038_DP,8.176615,00000000000000000001000000000000000000000010000000000000000000100000000000010000101101110011110011001100110110110000111011100101110111111110001111011011011010111111110,VGYAPNWVKNTDMM-PZJWPPBQSA-N
+CC3=CC1=C(C=C(C=C1)NC(CC2CCOCC2)C#C)[NH]3,F07455CC7D0A01D8_1960BF1BEA300B13_6041_UN,8.175762,00000000000000000100000000000000000000000000000000000100010000000100000000000000100100100001000010100100110001010000001011000100110111010110001001010001010111101111110,NXBFQCUXNBTFDD-UHFFFAOYSA-N
+COCC[C@@H]3[C@H](OCC1=CC=C(C=C1)OC2=C(C=CC=C2)C#N)CN3,CD69AF8C9E249742_2F1FCEF8CF839542_6039_DP,8.175595,00000000100100000000000000000000000000000100000000000000000000000000000000000000001000100011010101001000100001010101101001000111110010000110001111110011110111111111110,WECJCQVWXVPMJW-UYAOXDASSA-N
+C2(=C1[NH]C=C(C1=CC=C2)CC#N)NCC3OC(C)(CC3)C,15D30BB19BB2494A_84E19D6152774A73_6041_UN,8.17544,00000000000000000000000000000000000000000100000000000010010000000110000000100001001100000011000110001100010010011001101011000100110111010100001000010101110111101111110,SMGPXSAAOWLHKA-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC=CC(=C2CBr)C)(=O)=O)OC,2EDA288553BA66DE_33611AF56843847B_6029_UN,8.175244,00000000000000000000000000000000110000000000001000010001001111001001010011000000011000001001011000001010101010011100111000001111001000101010110111111111110111111111110,KDDQHQIZFZOTII-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=CC=C2Br)CCC3CNCCO3,196D4BFE0DBC9E2C_55DA9979EF159BF2_6034_UN,8.175201,00000000000000000000000000000000000000000000001000000000010000000110000000110000001111110011000111101100110101011001001011100100110110100110001001011101110111101111110,CDJJTQHAGRIWKH-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=C(C=C(OC)C=C2)OC,EAF6D5348EC462AC_3B92B3CCEED5E012_6041_UN,8.17424,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000000100111101100010000000100100010101101111001001010100111111101111100011111111110,HMQOMINESOYYCL-UHFFFAOYSA-N
+COC(=O)C1=CC3=C(C(=C1)C2=CC=C(C(N)=O)C=C2)OCCNC3,D154A9AA86B5CCDB_690419E2AD53AE18_6004_UN,8.174082,00000000000000000001000000000000000000000000000000000000010000100000000000000000001010100000110101001100110001110100011011010110110110001110101011110001111011111111110,KQEADBVYPGSYKR-UHFFFAOYSA-N
+NC2(CCOCC1=C(C=NC=C1)C#N)CCC(F)(F)CC2,77239C362526D50A_1D0F1521A205C1D9_6039_DP,8.173835,00000000000000000000000000000000000000000110000000000000000000000110000000000000100010110010000001100000100101011000001001000010110011100110001011010011010111100111110,MXKDDFGWTIJDLL-UHFFFAOYSA-N
+CCNC4CCC1=C(C3=C(N1CC2=CC(=CC(=C2)NC)Cl)C=CC(=C3)Cl)C4,A5B2683FBDC15A9E_E2774B50D91A572A_6034_UN,8.173642,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101010011010010001101110110010010001001100100110101110110001011011101010110101111010,VCNPYGWPIDSLTG-UHFFFAOYSA-N
+N(CCCCCCC1=CC=CC=C1)C(C2=C(C=CC(=C2)N(C)C)F)=O,02D97C2FE789A170_028393C3DDACCF4F_6038_UN,8.173523,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001110011110000001000100100110000011000100100110001110000001011011111011110101111110,HBKYJXZCJSDWTA-UHFFFAOYSA-N
+CCN3CCC1=C(C(=CC(=C1)NCC2(CCC=C)CC2)F)C3,4A5CB7F6C6707AFB_8CC3F0750048DB17_6041_UN,8.173494,00000000000000000000001000000000001000000010000000000000000000000010000000010000001001110011000000111100010110011010101001100000110001110110001011011001010110101111010,UFFPRKAJHYPMON-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)CNCC23CC3)(CN)C4=CC(=CC=C4)Cl,9E9E1537B954FB8E_DBF8A4E357AEB549_6035_UN,8.173226,00000000000000000000001000000000000000000000000000000000000000000010000000000000001010110011000100101101010100001101000001000111110110100110001111010001110101101111110,BDJMFCLOVAJWQD-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)CNCC23CC3)(CN)C4=CC(=CC=C4)F,B0D2EFF642AA53A8_1A1BC2F2A475B985_6035_UN,8.173216,00000000000000000000001000000000000000000010000000000000000000000010000000000000001010110011000100101100010100001101000001000111110110100110001111010001110101101111110,DJMFNLGWDQAHGK-UHFFFAOYSA-N
+CCC(OC2=CC=C(CNCC1N(CC)CCC1)C=C2)C4=C3OCCC3=CC(=C4)Cl,7120BF0B620E801C_8395D7877BE577FF_6035_UN,8.173174,00000000000000000000000000000000000000000000000000000000010000000000000000010001001101110111000010001101010111010110101011100111110010100110001111011111110111111111110,DMJLMMKTWIWSCK-UHFFFAOYSA-N
+CN1CCC2=C1C=C(C=C2)[S](=O)(=O)NC3=CC(=C(C=C3)OC5=NC4=C(C=CC=C4)S5)Cl,BD1F306B567B3040_E24AB2E127BEDC80_6026_UN,8.173084,00000000000000000000000000000000110010000000000100010001001111001101010001010000010101111000011010001111011110111101111011101111001001111100001111111011110011111111110,BMZRCWKODVSZHC-UHFFFAOYSA-N
+C1(=NC=C(C=C1)CC#N)N[C@@H](C)C2=CC3=C(C=C2)OCCCO3,AA996EDB55A336E4_28CB4AA52046B282_6041_UN,8.172843,00000000000000000001000000000000000000100100000000000000010000000100000010000100000000000100000000100100010001010100001011000100000011010110001011010001110111111111110,COPZLVLNJNHOLP-ZDUSSCGKSA-N
+COCC1=CC(=CS1)NCC2=C(C(=CC=C2)[N](=O)=O)F,FCF9753AD820AE1D_B25AF9C2236C7C22_6041_UN,8.172517,00000000000000000000000010000000000010000010000001000000100000010000001100000000011100111001011010001010000101000001000100101110001001110110001010101011010111111111110,ZYAKPVAYDRFKMA-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C(=O)CC2)N[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,11C22417D94EE5A1_D01816ADB03D3CD5_6041_DP,8.172497,00000000000000000000000000000000000000000010000000000010000000100000000000000001001000110011000010101100110100010000001001000101110111110110001111010011111010100111110,CMEJLTNVKGSMGM-RDTXWAMCSA-N
+COC1=C(C(=CC=C1)[N](=O)=O)NCC2=CC(=NC=C2)OC3=CC=C(OC)C=C3,F7382905B2CB2B04_F8485F2F86FBF97F_6041_UN,8.172047,00000000000000000000000010000000000000000000000001000000100000010100001100000001001000000000111101101010000000100100010101101111001001010100101111101111110111111111110,PILVRRBGPZPBDH-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCCOC2=C(N=C(C)C=C2)CCl,85BFC8301DF428DD_7AC8C70F53629E46_6035_UN,8.171886,00000000000000000000000010000000000000000000000001000000100000010100001100000000001000000000011101101011100011010100001101101111101011110110101111111111110111111111110,WUDVDGXKULJZAC-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC=C2Br)CC3(OC)CCOCC3,511A826AFC5A0E6A_528AB51D0F28418F_6034_UN,8.171811,00000000000000000000000000000000000000000000001000000000010000000110000000010000001111110100010110101100110111011000101011100111110010100110001101011001110111111111110,PATXITQJRYRIHO-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC=C2Cl)CC3(OC)CCOCC3,8A20E109CACE4F33_05C97DB922BE81CC_6034_UN,8.171786,00000000000000000000000000000000000000000000000000000000010000000110000000010000001111110100010110101101110111011000101011100111110010100110001101011001110111111111110,AZJHQFXUTFAWET-UHFFFAOYSA-N
+CCSC1=CC(=NC=C1)NCC2=C(OC)C=CC(=C2)[N](=O)=O,D972A7749F4CEE57_7F5217C385EF55EA_6041_UN,8.171722,00000000000000000000000010000000000000100000000001000000100100011100001100000100011000001000011001101010000010000110000101101111001001010110001111101111110111111111110,BEEADHUNJQMREO-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CC4CCCN4N,07B7A0B772283E27_C0397DFF160701DB_6034_UN,8.17168,00000000000000000000000000000000000000000010000000001000000000100110010000010001101111000011001010001100111100011000001011101100110101100110001000011011010110100111010,ZVJBVXFCXHRFKP-UHFFFAOYSA-N
+CC(C)(CC1=CC(=CC=C1)N[C@@H](C)C2CCNCC2)C#N,8AC2B15A589F1274_ACB827C720F4E17C_6041_DP,8.171468,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100011000000101000100010011001101001000000110101010110011001010101010110101111010,QVYZAPXUOBIPHL-AWEZNQCLSA-N
+C[Si](C)(C)C#CCCC=CC2=C(OC1=CC=C(F)C=C1)N=C3C=CC=C[N]23,C5CC6426B1F172F6_7551CCB1FB8BEF3F_7019_UN,8.171267,00000000000000000100100000000010000000100010000000000000000000000100000000100101000101110000110111110100010110101100011011100111000000100100011111011110100111001111110,NABLVIHDJWAHAB-UHFFFAOYSA-N
+COC1(CC4(C1)COC(COC2=C(C=CC=C2)OC3=C(C=C(C=C3)C#N)F)C4)OC,7FA76E0D639B5F34_38D413CD9A18207F_6035_UN,8.171205,00000000000100000000000000000000000000000110000000000000010000000010000010000000000100010000010010000000010101001100100000010111110010100110100111100110110101011111110,IJPPDWFNKSNCRS-UHFFFAOYSA-N
+O(C[C@@H]1CCCN1CC(F)F)CCC2=C(C=C(C)C=C2)C,65BC5AB9B060872C_4F24A358438EFB60_6039_UN,8.170939,00000000000000000000000000000000000000000010000000000000000000000000000000010000000101100000000110001000000111010000101001100010110010100110000010011110010111101111110,BPWMXMQTGBVSNX-INIZCTEOSA-N
+N1CCOC(C1)C(C)(C)OCC2=CC=C(C=C2)CN3CCOCC3,720047002C1BAE24_8E85CD3B5644C889_6039_DP,8.17066,00000000000000000000000000000000000000000000000000000000010000000010000010110000001001100001000101101000100011011000101011100010110010000110001001111101110101111111110,IFADCFAOWSLKLH-UHFFFAOYSA-N
+COC2(COCC1=CC=C(SC(F)F)C=C1)CCNCC2,160F3AF17AF03820_711F23C3131B72A4_6039_DP,8.170325,00000000000000000000000000000000000000000010000000000000000100001010000010000000011000101001010001101000101111011000101001000011110010100110000101010001110101111111110,IFQHHAFSLYOHBD-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NC3=CC=C(C=C3)CCC#N,6C4FA9E50C0A7296_999C210EA7B18FF4_6041_UN,8.170262,00000000000000000000000000000000000000000110000000000000010000100010000000000000000000110000000000100000000101011000001000000100110011110110001001010001010111100111110,VUCCIKKLPLMYDX-UHFFFAOYSA-N
+CCC(C)(OCC1=NC=CC(=C1)C#N)C2=CC3=C(C=C2)CCCC3,A74773ED2EA5BD3B_D1B4E847822A587E_6039_UN,8.170112,00000000000000000000000000000000000000000100000000000000000000000110000000000000000000000000000100100100010011011011101001000110110010000100001011010100110111001111110,WCWINJYFAJUXHC-UHFFFAOYSA-N
+FCCC1=CC=C(C=C1)NC[C@@H]2C[C@@H](CN2C3=CC=NC(=N3)N(C)C)F,A6116BCDF709E9F3_55FD565E74FE0BD2_6041_UN,8.169404,00000000000000000000000001000000000000100010000000000000000000100100000000110101101101110011010010101000001100010000001011100100110001110110001001011111010110101111010,UQOWJIKWFUSZQO-RDJZCZTQSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NCC(C3CCNCC3)(C)C,F5FB0B87353487E4_D8007C4FE20E7DD2_6041_DP,8.169394,00000000000000000000001000000000000000000100000000000000000000100110000000100001101000100001000000101000100010011001101011000000110101010110001011010111010110101111010,GMGQPVYSOATZRB-UHFFFAOYSA-N
+NCC(F)(F)C2(OC1=CC(=CC(=C1)I)C(F)(F)F)CCOCC2,C084562A52531C48_E4E2103905311529_6035_UN,8.169394,00000000000000000000000000010000000000000010000000000000010000000010000000000000001010110101000001101000001101001100001000000011110010100110000101010001110101110111110,ZXCBNIGHPJBESK-UHFFFAOYSA-N
+NCC(F)(F)C2(OC1=CC(=CC(=C1)Br)C(F)(F)F)CCOCC2,8A33313391146D01_3D2ABB4E63ABAA99_6035_UN,8.169393,00000000000000000000000000000000000000000010001000000000010000000010000000000000001010110101000001101000001101001100001000000011110010100110000101010001110101110111110,YFXWHUDOUARMHD-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)CCC2)NC3=CC(=C(N(C)C)C=C3)F,B0303E7C43B54094_7BBA2D0C3B3C3525_6041_UN,8.169135,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110011010010000100010100000000001000100100010001110000001011011111000010101111010,BYDQIKYVXNNWBS-UHFFFAOYSA-N
+C[N]1C(=NC=C1)C(OC2=CC=C(C=C2)CN3CCNCC3)(CN)C(F)(F)F,D6F82198DEFD38D1_B4532BE19085E49F_6035_UN,8.169008,00000000000000000000000000000000000000100010000000000000000000000110000000010101101111100001010110101000101110011100001011100111110110100110001111011011110111101111110,WYQYZPFECVTPJT-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC=CC(=C2)CNCCN(C)C)C(F)(F)F,F36F0589AE8BF4D8_3F44AD90F9E6A761_6035_DP,8.168852,00000000000000000000000000000000000000000010000000000000000000000010000000100001001001100001010000101000101110011101101001100011110100100110011101011101110101101111110,IPMVUQRIUACJTN-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CCC3(N)CCOCC3)C4=CCNCC4,1CF44F740A420E13_E55CBDEB790BA06B_6034_UN,8.168335,00000000000000000000000000000000000000000010000000100000010000100110000000011000101111110011000011111100110101011000001011100100110111100110001001011001010111100111110,SPVVTDPMUSFJGO-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)C#N)NCC3=CC=C([S](N(C)C)(=O)=O)C=C3,F3C107420D5129B7_2EC9BD6287D80F74_6041_UN,8.168109,00000000000000000000000000000000110000000100000000010001001111001101000001100000111000101000011000101110011000001000010001101100001001011100001001001101010110111111110,ZMJFLBAKDBUYQZ-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)CC#N)NC3C2CCCNC2C3(C)C,6814C2C8D4A1D093_FA526B8CB7726577_6041_DP,8.167809,00000000000100000000000000000000000000000110000000000100000000000010000000100000101000010011000000101100110110011000001001000000100101110100001011010111010110101111010,NPILXFQHZTWCOE-UHFFFAOYSA-N
+ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3C[C@@H]4C[C@H](C(C)(C)C)CNC4,28599DE9504B65B1_DBEE7D6EE585548A_6034_UN,8.167771,00000000000000000000000001000000000000000000000000000000000000000110000000110101101101110010000010101101011100001000100011100100100101110110011011001111010110101111010,ZKNRHRCIFGMQSE-MJGOQNOKSA-N
+FC1=C(C=CC(=C1)CC#N)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F,89DBB260064EC04F_3E38E49EF05A7FC1_6041_UN,8.1676,00000000000000000000000000000000000000100110000000000000000000000100000000010101001101110011010010001000000100010000100011100100110001110110001010001011010110101111010,DCKAGJLWTNQVFV-GJZGRUSLSA-N
+N2CCC(OC1=CC=C([S](C)(=O)=O)C(=C1)C#N)CC2C3=CC=C(C=C3)F,4507E0FEB2E755E5_CBF5C9AEECB5F89E_6003_DP,8.167564,00000000000000000000000000000000000000000110000000010001001111101001000001000000011000011001010001101010100100011100001001001111111010101100001111111011110011111111110,VRDFFYYTMLHGKB-UHFFFAOYSA-N
+O(C(=O)C3=CC2=C(C=C1OCCOC1=C2)[NH]3)CC4(N(C)C)CC4,3E432AF6ACC21D00_9BD39481E6E59674_6031_UN,8.167136,00000000000000000000001000000000000000000000000000000000010000000110000010100000000101100001010111100100010001011100101011110110010011000110101011111101111111111111110,AUYJIEZFVQRSEG-UHFFFAOYSA-N
+O(CC1CCCCN1CC2=CC=CC=C2)C[C@@H]3CNCC(O3)(C)C,8EE4BE99C27C6D10_F36E24F21FA7C2F5_6039_DP,8.166923,00000000000000000000000000000000000000000000000000000000010000000010000010110000001001100010000101101000000011011001001011100010110010000110001001011111110111111111110,LFOKUEVOZUSNCQ-GGYWPGCISA-N
+C1CC1C3=NC2=C(C=CC=C2)[N]3CC4(NCCNC4)C,2F2F97452292F97D_F66C91A8E935F2D1_6034_DP,8.166848,00000000000000000000001000000000000000100000000000000010000000100110000000010101101101100011000010101100110010011001101011100100110100000110001011011011010110101111010,FFYVAJUWLSMPAI-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)C2=NN=C[N]2C)NC35CC4CC(C3)CC(C4)(C5)F,0E9876E4FE830636_D05F2FD1D7A5D609_6041_UN,8.166811,00000000000000000000000000000000000000100010000000001000000000100110000000010101100101010001011010000100110100011000000011101100100001110100001011001111000010101111010,MZGGCNBEFFETON-UHFFFAOYSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=CC(=CC=C2)CC3CNCCC3,99EFD22029073AD2_40BC904FE34187F3_6035_UN,8.166723,00000000000000000000000000000000000000000000000000000000000000000000000000100001101101100011010111101000100010010100101011100011110111000110001101011111110111101111110,VPKJZQJGAJHRGR-HSFDIDPMSA-N
+[S](=O)(=O)(C1=CC(=CC=C1)C#N)N3CC(C2=CC(=CC(=C2)OC)F)CCC3,99357B3AFCD0E5E3_34DD7563D7B78EA7_6026_UN,8.166534,00000000000000000000000000000000110000000110000000010001001111101001000001010000010000111000011000101010001100011100011001101111111000101110001101111000110011111111110,WDXIUPWIGQQWPA-UHFFFAOYSA-N
+CC2(C)C(OCCC1CCCNC1)CCN2CC3=CC=CC=C3,C818A104E9D0D5BC_72C9496F3A45C76B_6039_DP,8.166287,00000000000000000000000000000000000000000000000000000000000000000010000000110000001101100011000111101000100011011000101011100011110010000110001101011111110111101111110,HTRLYGSQZGEEGG-UHFFFAOYSA-N
+CN(C)C[C@H]3C[C@@H](OC1=C(C=CC(=C1)C2CNCCC2)F)CN3C4=NC=NC(=C4)F,7BB4A207E0F582A0_B3E2E84654C0E19E_6035_UN,8.166201,00000000000000000000000000000000000000100010000000000000000000100100000000110101101101110011010111101000100110010101001011100111110011110110001111011111110111101111110,RCXXFOPHQAFXRL-UKKPGEIXSA-N
+COCOC1=CC(=C(C=C1)NCC(CC)(C)N2CCOCC2)F,2746B38A1F7A1D33_F4B27C55DA5BFD34_6041_UN,8.165696,00000000000000000000000000001000000000000010000000000000010000000010000000010001001001110011010100101000000111011111101011110011110011110110011111111111110111111111110,VTRPZIFWVWZMTQ-UHFFFAOYSA-N
+CSCCC1=C(C=CC=C1)NC(=O)C2=C[NH]C3=C2C=C(C=C3)[N](=O)=O,02CACB61538DA9CF_2F622AC0FD5AD8E7_6038_UN,8.16562,00000000000000000000000010000000000000000000000001000100100000010100001100000000100100101011111011000110010000100001111101101100001101011100001011111011011110111111110,MURDQLFSACFZTJ-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=CC1=CC=C2NCC3(SC)CCOCC3,2E07953F313DE1C9_5DC389CABDD0F733_6041_UN,8.165545,00000000000000000000000000000000000000000000000000000000010000001010000000100001011001101011010000101100010011001000101000100100110011010110011011011111010111101111110,CKFROHJQNGOBLW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NCC3(C)CCC4(CC3)CC4,1D4370E66331D53A_A8812FC53A0947D6_6041_UN,8.16513,00000000000000000000001000000000000000000100000000000000000000000110000000000001001100000011000010001100010000001001101001000100110101010100001001010001010110101111010,XYBRDKSNWPGNJW-UHFFFAOYSA-N
+C3(=NC2=C(C=C1OCOC1=C2)S3)NCC4=CC=CC(=C4)CN5CCN(C)CC5,E5468FE30038FCC9_0C95E2A78DA1CB1A_6041_UN,8.165089,00000000000000000000000000001000000010000000000100000000010000000100000010010101011101101000010011101100011001010101101011110100110001010110001011011001110111111111110,QGIGLJMDGDAJGJ-UHFFFAOYSA-N
+CC(C)(C#N)C1=CC=C(C=C1)NC3CCC2(CCNC2)CC3,3D90FBB6785E9018_48023489C5681B3C_6041_DP,8.164808,00000000000000000000000000000000000000000100000000000000000000000010000000100000001100100011000010001000110000011000001001000000110101010110001001010101010010101111010,OVCDHBDJMVKZGE-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN[S](C2=C(C=CC(=C2)OC)F)(=O)=O)OCCO,D497D8B40D44B8FC_72021ACD57CCF39C_6029_UN,8.164476,00000000000000000000000000000000110000000010000000010001001111001001010011000000011000011000011000001010101101001100011000001111001110101011100111111111110111111111110,DLUCTJIQWYYIRC-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC23CCC(CC2)C3)C=CC=C4)C5CCNCC5,B53020071F543B2B_950CAF8A9EE907BD_6034_UN,8.16444,00000000000000000000000000000000000000000000000000000000000000100110000000010000001101100001000010101100110010011000101011100100110000000110001011011011010110101111010,WRIRQDXLQWHVJX-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)C#N)N=C=O)NC2=CC=C(SCCOC)C=C2,385F2E3A14B9A0A4_3AD175D7EE964D59_6041_UN,8.163947,00000000000000000000000000000000000000000100000000000000000100001000000000000011110000101000010000000000000001100001111100000110000011010010001011010011011111111111110,POQGWLWKUQPSEB-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)OC[C@@H]2CCCN2CCOC)F,9151A61AF2508665_D405BDB66DAF1570_7022_UN,8.163036,00000000000000000000000000000000000000000010000000000000000000000000000000110000000101110000010110001000000101010101101001100011110010100110011110011110110111111111110,BYRZUCOEQILMFC-HNNXBMFYSA-N
+O=[N](=O)C2=C1OCCC1=CC(=C2)C3=C(C=CC(=C3)OC)C,ED109DA09B69C6DE_A6DCCEE7ACE402BC_6006_UN,8.162793,00000000000000000000000010000000000000000000000001000000110000110000001100000000000100000100011110000110010001000100001100101111001011010100100111111110110011111111110,ZCIOCGZKGLUWTC-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C(C)(C)OCC2CNCC3(O2)CCC3,C957BB10AE6B7CDF_FDC0266B22012789_6039_DP,8.162708,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000100011000101101000010001001000101011000010110010000110010011010111110101111111110,RPRIGEYSHZQUON-UHFFFAOYSA-N
+COC2(COCC1=CC=C(N(C)C)C=C1)CCNCC2,4A69BDA89B3F285E_1606B1E11E9B3D80_6039_DP,8.162575,00000000000000000000000000000000000000000000000000000000000000000010000010100000001001100001010001101000100011011000101001100011110011010110011101011101110111111111110,IVJBDUCCKODPRA-UHFFFAOYSA-N
+O(CC2(CC1=CC=C(C=C1)F)CC2)CC3=C(F)C=CC(=C3)C#N,56E4EA2406D635B6_1E7E5D6932666A48_6039_UN,8.162031,00000000000000000000001000000000000000000110000000000000000000000010000000000000000000110000000000000000000101001000000000000110110000100010000011010010010101000111110,KRQDRQHJONQFBS-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=C(C=CC(=C3)Br)C#N,2CF2328971F4B530_0180D758644C9203_7022_UN,8.161452,00000000000000000000001000000000000000000110001000000000000000100010000000000000100000010000000000000000000100001000000000000100000001110000001011010011000010100111010,NPNKVKICZINKRM-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NC3=C(C=CC(=C3)Cl)C#N,936545DBF81C0804_4BD120C5A8B06A3B_7022_UN,8.161433,00000000000000000000001000000000000000000110000000000000000000100010000000000000100000010000000000000001000100001000000000000100000001110000001011010011000010100111010,KOZBDTODDACOTP-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C[S](=O)(=O)CC#N)NC3=CC=C(SC2=CC=C(OC)C=C2)C=C3,95EC7254DA84FEA4_25741FB3C5450AAE_6041_UN,8.161142,00000000000000000000000000000000000000000100000000010001001111001001000001000000010000101000010001000010000000011100000000001111001011011010001101101001110111111111110,BCBUUCAXJKVFHN-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)N=C(C)C=C2)NCC4(C)COC3=C(C=CC=C3)O4,0C05B7B6CF5C14D5_AF5401D5527C7F61_6041_UN,8.160905,00000000000000000000000000000000000000000000000000000000010000000110000010000000101000000010010101101100010001001101000011000111000011010110011111100111110111111111110,OVGLAZXLXMTJGN-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)[S](=O)(=O)NC2=C(CN(C)C)C=CC=C2)OC,E300B627489FA210_575EFE1F4620D096_6026_UN,8.160873,00000000000000000000000000000000110000000000000000010001001111001001010011100000110001101010011000001010001000001101010000101111001001011000111111101111110111111111110,HDUXPRMISBBRBH-UHFFFAOYSA-N
+COC1=C(C=C(C=N1)[N](=O)=O)NC2=CC(=C(C=C2)N3CCCC3=O)C,12FCBC80DB63450D_84C4AB6035D17AFE_6041_UN,8.160733,00000000000000000000000010000000000000000000000001000000100000110100001100010001100101000000111111101010000010110100011111101111011011011100101111111111011011111111110,FIFPUUYRZCCXNY-UHFFFAOYSA-N
+CC(C)(COC1=CC=C(C=C1)C[C@@H]2COCCN2)C3=CN=C(C=C3)Cl,2158A3B0C084F482_0E854711AA309A49_6035_UN,8.160604,00000000000000000000000000000000000000000000000000000000010000000110000000100000001000110001000100101001100101011101001011000111110010100110001101010101110111111111110,UVTROCJCJIEMCF-QGZVFWFLSA-N
+CC[C@@H](OCCN1CCOCC1)C2=CC(=C(C=C2)C)F,D709406E3E8E76EA_F1E54C060767BC03_6039_UN,8.160598,00000000000000000000000000000000000000000010000000000000010000000000000000010000000001110000000100101000000111010010001011100010110010100110000011011110110101111111110,KTHUCALXYSTVLB-MRXNPFEDSA-N
+CC(OCC2=CC1=C(CNC1)C=C2)CC3CCOCC3,EA7CA20E814F5118_97DEB0B6D6BB596B_6039_DP,8.160482,00000000000000000000000000000000000000000000000000000000010000000000000000000000001100100001000010101100010011000001101011000010110010000110000011010001110101111111110,FTFLSCJZDWDXOG-UHFFFAOYSA-N
+O(C(=O)[C@H]1CSCN1)CC3=CC2=C(C=C(OC)C=C2)C=C3,6D2FA60BCD9E03ED_CC3419550BEAE217_6031_UN,8.159868,00000000000000000000000000001000000010000000000100000000000000000000000000000000001100101011010110001100110001010100000011010111110000000110000101100001111111111111110,GFMLNMBALCJTTO-OAHLLOKOSA-N
+CN(C)CCC1=CC=C(C=C1)NCCN2CCC(N(C)C)CC2,8EDD03EBE35E8325_341E30E924C20434_7022_UN,8.159734,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001100001010000101000100010010001101001100000110001010110011001011101010110101111010,AMTMMQXABPVWEL-UHFFFAOYSA-N
+O(CCCC1=CC2=C(C=C1)OCO2)CC3=CC(=C(N(C)C)C=C3)C,9F1B0CFC775BFBB0_B5FDD788C2B09F20_6039_UN,8.159538,00000000000000000000000000001000000000000000000000000000010000000000000010100000000101100000010010000100010011000100001010110110110011010110010011111110110111111111110,WCMPZEVYSRGGHE-UHFFFAOYSA-N
+NCC[C@H](OC1=CC=C(C=C1)C2NCCCC2)COCC3=CC=CC=C3,CD5E2B06E9D86004_CF645402BE6F3000_6035_UN,8.159515,00000000000000000000000000000000000000000000000000000000000000100000000010000000001010100011000001101000100001010100001001000111110110000110001101010001110111110111110,RJGFWVZZLRPBKF-HMTLIYDFSA-N
+O(C(=O)C1=C[NH]C=C1C2=C(C=CC=C2)F)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,EE12013CAE12BC9D_D6F469EECA8D85DD_6031_UN,8.1591835,00000000000000000000000010000000000000000010000001000000100000110100001100100000000101110000011011000010000111000000000101111110001001111100101011101111011111111111110,ATQHYBYJOFYLJJ-UHFFFAOYSA-N
+N(CC1=CC2=C(C=C1)SC=C2)C(CSCCN(C)C)=O,4DE659E3B130E928_B927EEDCCC141D09_6038_UN,8.158443,00000000000000000000000000000000000010000000000000000000000000000000000000100000011101101001110010001100110000110001111000100100010010000110001000011101011110101111110,MPOYPEDNZAKUBK-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N2CCOCC2)NC4=CC=C(OC3=CC=C([S](C)(=O)=O)C=C3)C=C4,C5C7D1E3EBE3A3EE_080A8A3DD338FE8E_6041_UN,8.158412,00000000000000000000000000000000000000000000000000010001011111101001000001010000010001101000010100101010000001011100001011101111111011011110101111111111110011111111110,RELRKABMWHEXST-UHFFFAOYSA-N
+CC1(C)COC2=C1C=CC(=C2)NC(C)(C#N)C3CCCCC3,B1AD2A08BC0AB4DE_6A74035B53BFCC6C_6041_UN,8.158358,00000000000000000000000000000000000000000100000000000000010000000010000000100001000100000011000011000100010011001101101000000000110001010100011011010101110011101111110,CQJJJRNTYMYWQO-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC3=CC2=C(CCNCC2C)C=C3Br,DE30A65835E32BFF_B5A66CF66B08617F_6035_UN,8.158338,00000000000000000001000000000000000000000000001000000000000000000010000000100000101001110011010100101100110110011101001011100011110110100110011111011111110101101111110,RYGAAPBATZDPDS-UHFFFAOYSA-N
+ClC1=C(C=CS1)[S](=O)(=O)NC2=CC(=NC=C2)CN(C)C,0A8BF058A4C46FDE_1AB695E29D087B91_6026_UN,8.158134,00000000000000000000000000000000110010000000000000010001001111001101010001100001110101111001011010101011001100011001010011101100001001111100001010001111010110111111110,JHBZALQCCCHMCL-UHFFFAOYSA-N
+CN2CCN(CCOCC1=CC(=CC(=C1)C(F)(F)F)N)CC2,F31B2380B71EE892_180661598C9F3C9E_6039_DP,8.157429,00000000000000000000000000000000000000000010000000000000000000000000000000010001000011100001010100101000001101011001101011100010110011110110001001011001010111101111110,CXTDEHRDWOQBCT-UHFFFAOYSA-N
+N(CC1=NC(=CS1)C#N)C(C2=C(CSC)C=CC=N2)=O,EC18D4A337213213_A9989C1EA3214FE2_6038_UN,8.157244,00000000000000000000000000000000000010000100000100000000000000000100000000000001011100101001110110101000000000110001010011000100000000000110001010000011011110101111110,OCNSEXRYHVRFPX-UHFFFAOYSA-N
+CC1=C(C=C(N=C1)F)O[C@H]2CCCOC3=C2C=C(C(C)(C)C)C=C3,6B77E27AFD7ADC8A_BBB25E5C145C459B_7022_UN,8.156526,00000000000000000001000000000000000000000010000000000000010000000110000000100000000000010100000001100100010101001100001011000111000010100100010111010110110011011111110,HCNGFHXWYQUYGD-KRWDZBQOSA-N
+CC(OCCC1CCNC1)C2=C(C=CC=C2F)N(C)C,AEBE2B4E321F8747_A7532694BCC1D069_6039_DP,8.156364,00000000000000000000000000000000000000000010000000000000000000000000000000100000001101110011010011001000100111010000101001100010110011110110011010011111110111101111110,VFTMVRZNKNWSSZ-UHFFFAOYSA-N
+FC1=C(C=C(N=C1)CC#N)NCC2=C(OC)C=CC(=C2)[N](=O)=O,8E3FD630402910A8_0479BEA650E6CECA_6041_UN,8.156243,00000000000000000000000010000000000000000110000001000000100000010100001100000000101000010001011001101010000110010100000101101111001001110100001111101011110111111111110,WHKPMALBYGWUJL-UHFFFAOYSA-N
+O(C3CCN(CC1=CC=CC=C1)C2(CCC2)C3)CC4=CC=C([Si](C)(C)C)C=C4,01A978F6A622E2CB_7E6284A1DF4D89A9_6039_UN,8.156076,00000000000100000000100000000010000000000000000000000000000000000010000000110000000001100000010001101000010001011000001001100111110010000110010101011100110111101111110,RJLAKLQOYZNVHE-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C2OCCN(C2)[S](=O)(=O)C4=C3C=CN=CC3=CC=C4)OC,3C896849A318F166_6C06E6B304D37A89_7015_UN,8.1559,00000000000000000000000000000000110000000000000000010001011111101101000011010000010000101000011100101110011001011100011011101111111010001110101111111110110011111111110,PZSUYBRPQATGAC-UHFFFAOYSA-N
+CN(C)C1=C(C(=CC=C1)NC3=C(OC2=CC=C(OC)C=C2)N=CC=C3)[N](=O)=O,27CE7E3199BF66AA_60C2A9088DADCD04_6041_UN,8.155739,00000000000000000000000010000000000000000000000001000000100000010100001100100001100001100000111101100010000000100100010101101111001001010100111111101111100011111111110,HPUNKPRECXOJFF-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)C2=CC3=C(C=C2)OCC3)[S](C4=NC(=CC=C4)CC#N)(=O)=O,1C56AC1C8A74456C_A5AA66C9CF7D5C2B_6029_UN,8.15529,00000000000000000000000000000000110000000100000100010001011111101101010001000001110100001000001110100110011001011100011011001100001011011100001011111001110111110111110,LGBAEXUQOLLBEO-UHFFFAOYSA-N
+CC2=NC=C1C(=C(C=CC1=C2)F)NCC3=C(C=N[N]3C)C4CCC4,F91D89C20ADE60AF_A8E26963F75AB3F8_6041_UN,8.155123,00000000000100000000000000000000000000000010000000001000000000100100000000010001101100010000011010101100010100010000101011101100100001110100001011011111010110101111010,BSPAVCNUWMPJQT-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NCCC3=CC=C([Si](C)(C)C)C=C3,5A0C118CE36507FF_19E2042014954526_6041_UN,8.155001,00000000000000000000100000000010000000000100000000000000000000000100000000100001001000100000010000101100110000011000001001000100000001010100011001011101010110101111010,KOUBVFGBNAXIRS-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@@H]1COC2=C(C)C=C3C(=C2)CCNC3,0CDE03D4B186EFF7_314FF829721C1F5E_6035_UN,8.154797,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010001101100110011010100101001100011110001000110011111011111110111101111110,OPDSDBLRFVFCSI-SJLPKXTDSA-N
+C[Si](C)(C)C1=CC(=CC=C1)OC3=C2CCOCC2=CC=C3,17EEF4D9AFB9D0DF_946A4D18DCDB855E_7022_UN,8.154744,00000000000000000000100000000010000000000000000000000000010000000000000000100000000000100000010000100100010001001100001000000111110010000110010111011100110001011011110,OAGDSLCFZKWZLX-UHFFFAOYSA-N
+CN(C)CC(C)(C)OC3=CC1=C([N](C)C2=C1CCCC2)C=C3,3996EFB19C720D56_73D510D961F4B690_6035_UN,8.15443,00000000000000000000000000000000000000000000000000000000000000000110000000110000000101100000010110001100010010011101101001100111110010000100011111011100110111101111110,PHGLOPMJOIDJSD-UHFFFAOYSA-N
+OC(=O)C1=C(C(=CC(=C1)F)NC2=CC4=C(C=C2)OC3(CCC3)CC4)F,9BC34E760408F702_BEFF1312CA6FA1A7_6041_UN,8.154372,00000000000100000000000000000000000000000010000000000000010000000010000000000000000000010001000000100100010100001100001000010100110111110101000011110011101011110111110,MUEKVGHLCCWYPI-UHFFFAOYSA-N
+CN(C)C1CC(C1)OC3=CC2=NC(=CC(=C2C=C3)C)Cl,93DB54F136A2AE18_9AE468E1C3EBD8A0_6035_UN,8.154101,00000000000100000000000000000000000000000000000000000000000000000100000000100000000001110000010001100101010100010100100001100111000011100100011101001100100011101111110,WWGSZBWOJWCNLX-UHFFFAOYSA-N
+CC1=NC=C(C=C1)C2(CNCC2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl,55125BF5CE65CE88_9C68172E6BEB1CDB_6035_UN,8.153941,00000000000000000000000000000000000000000000000000000000000000100110000000000000001100110011000111101001100100011100001011000111010010100110001101010001110011111111110,WTKXDTXKCRZWJT-UHFFFAOYSA-N
+CSCC1=CC(=CC=C1)NC[C@@H]2C[C@H](F)CN2CC3=CC=CS3,3E4C8A0255DE3AAA_BF226E3A720E43E2_6041_UN,8.15377,00000000000000000000000000000000000010000010000000000000000000000000000000010001011101111011010010001000000100010001000011100100110001110110001000001011010110101111010,KFNVUZBROBWJKJ-RDJZCZTQSA-N
+COCOC1=C(C2=C(C=C1)C=CC=C2)NCC3=C([S](N(C)C)(=O)=O)C=CC=C3,95F8CD66AAA24047_C31FDB558DB05DAA_7022_UN,8.153553,00000000000000000000000000001000110000000000000000010001001111001001000001100000011000101001011100001110011001001101010000111111001001011010111111101111110111111111110,FAZCTVRICLPAAX-UHFFFAOYSA-N
+CC1=C(N(C(=N1)C2NCCC2)CC3=CC(=CC=C3)C4=CC(=C(C=C4)C#N)F)C,799CD4178CE436EE_1B64CF0497560EEB_6034_UN,8.153211,00000000000000000000000000000000000000100110000000000000000000100100000000010101001101010011000010001000100110010000101011100100110000100110001011011111010110101111010,BNGDTXWFJQAFPL-UHFFFAOYSA-N
+CC1(C)[C@@H]4C[C@H]1C(=C)[C@@H](OC3=CC2=C(CCNCC2C)C=C3Br)C4,1C42024CF97DAF2F_80D6FF6B6BF6B298_6035_UN,8.152239,00000000000100000001000000000000001000000000001000100000000000000010000000101000001000110000000000011100110110011101101001000011110010100110010111010111110001101111110,GOHHRMXDAJCTAQ-XOALECPJSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NC3=CC(=C(C=C3)F)CC,CC770D58B0CF0B11_E7DE229C3C9DDC96_6041_DP,8.152124,00000000000000000000000000000000000000000010000000000000000000000000000000000000001000110001000001101000100101010010001001000111110111110110001111010011110111101111110,YCYGTCJVLPGPPC-UHFFFAOYSA-N
+CO[C@@H]1CNC[C@H]1OC2=CC(=C(C=C2)C(F)(F)F)CN,1CEA2CEC88160656_9622C04A02D8021C_6035_UN,8.152022,00000000000000000000000000000000000000000010000000000000000000000000000010000000001110100001010111001000001110001100100001000011010110100110001110000011110101111111110,IMZRMFDDRGVTRH-VXGBXAGGSA-N
+COC(COCC1CNC2(CO1)CCC2)C3=CC=C(C=C3)F,AC7B75BA9CCA0E07_33DE5EFB8922C8E9_6039_DP,8.151904,00000000000100000000000000000000000000000010000000000000010000000010000010000000001000110011010101101000110101011000101011000010110010100110000001110001110111111111110,OEBMZMBXEKAYKV-UHFFFAOYSA-N
+COCOC1=CC(=CC(=C1)F)NCC2=CN=C(C)[N]2C,7697F5A63B165043_19321F751071A624_6041_UN,8.151843,00000000000000000000000000001000000000100010000000000000000000000100000000010101101101110000010011001000000111010101100011110111000001110110011110001111110111111111110,NTEADVZFRGKKDQ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SC(=N2)CC#N)NCC3CNCC(C3)(C)C,079848A1F37063E5_1C2AAA09FD6D6587_6041_DP,8.151789,00000000000000000000000000000000000010000100000100000100000000000110000000100000111100101010000010101100010010011001000011000100100101010110001001000101010110101111010,OFRNBJPJLDPIGB-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)COC(C2=CC=C(OC)C=C2)=O)C3,B39551332B1D1A29_232A590F16DFAC3D_6038_DP,8.151284,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100001010010001100010001000100000001010111110000000110000111100001111101111111110,XSCZPXGMECXMIQ-UHFFFAOYSA-N
+C1NCCN(C1)C2=C3C(=CC=C2)[N](C=N3)CC4(CCN4)C,9BAACBCAC136A7F8_2C8543B8C9FC2660_6034_DP,8.150804,00000000100100000000000000000000000000000000000000000000000000100110000000010101101101100011000010101100110000011001101011100100110101010110001001011001010110101111010,HKJCVHRETAPWGW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NC3=C(C=CC(=C3)SCCC)[N](=O)=O,6ADDD2882B770BD7_9A455E98A02D9245_6041_UN,8.150557,00000000000000000000000010000000000000000100000001000000100100011000001100000001010000001000001001000110010000000011001100101100001001010000001011011011010110111111110,YHBNCGUHBAAMCO-UHFFFAOYSA-N
+CN2CC[C@@]1(COCC(C)O[Si](C)(C)C)CNC[C@@H]1C2,CE5472975D571736_EE65874DAB1E87CB_6039_DP,8.150278,00000000000000000000100000000010000000000000000000000000000000000010000010110000101101100011010011101110010011011001101011101010110010000110011000011101110101111101110,REOIIPIAGDZTKW-DMJDIKPUSA-N
+N3CCC1=C(C=C(C=C1)OC2=CC=CC=C2[S](C)(=O)=O)C3,5FB2A0DA2CD939A0_E5349DDE3AC2FA88_6003_DP,8.149635,00000000000000000000000000000000000000000000000000010001001111001001000001000000011000101101010000101110110000011100001001001111111000001110000111111011110001111111110,MERBPJNACCUMAN-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)NC2=C(C=C(C=C2)C#N)C3CC3)OC,08C25F634AA68D83_9CC9617B8E253177_6041_UN,8.149376,00000000000000000000001000000000000000000110000000000000000000100000000010000000000000010001010001000000000100000100000000000111000001110000001111010111100011111111110,BFFTUTADGXINTL-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)NC2=C(OCCOC)N=CC=C2)[N](=O)=O,C79CDA395A1AD728_5A6B709B68F272C7_6041_UN,8.149082,00000000000000000000000010000000000000000000000001000000100000010100001110000001000000100001111100100010000001100101111101101111001011010110101111111111010111111111110,HKHXLEQBMJAJHQ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)COCC2)NC3=CC(=NC=C3)CN(C)C,BCCB59338827C08D_AA3C2BE8EC00450C_6041_UN,8.148167,00000000000000000000000000000000000000000000000000000000010000000100000000100001100001100001010000101100010001010001001011100100110011010110001011011101010111101111110,HMZYFICFNWNYLR-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC=C([S](C)(=O)=O)C=C2,7AECA7AFD36420F7_CED5BA58999FC6DF_6041_UN,8.147783,00000000000000000000000010000000000000100000000001010001101111011101001101000101011000001000111001101010000000101100010101101111001001011100101111101111010111111111110,CLOUPKUBSBBFBA-UHFFFAOYSA-N
+C2(=C1OCCCOC1=CC=C2)NC[C@@H]3C[C@@H](CN3CC4=CC=N[N]4C)F,BF552B1B03EF86D8_C75ED455979C0977_7022_UN,8.147192,00000000000000000001000000000000000000000010000000001000010000000100000010010001101101110111011111001100010101010100101011101100110011110110001010011011110111111111110,PNFDQGXNKACLCZ-HOCLYGCPSA-N
+CN(C)C2=C1C=CC=CC1=CC=C2NCC4CCCC3(CNC3)O4,3D1D33114F9006C0_4DAA4B4C6949DE76_6041_DP,8.147158,00000000100100000000000000000000000000000000000000000000010000000010000000100001001001100011010100101100010000001000001011100100110111010110001011011111110111101111110,DMGOZLXKKJZXCM-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SCCCC2)NCC3=C(N(C)C)C=CC=C3,C736E05B6E722940_A88DCF56F5E9408C_6041_UN,8.147152,00000000000000000001000000000000000010000000000000000000000100000000000000100000111001101001010000001100010010000000001000100100110001010110001011011111010110101111010,NQWJFVVRPQCZFJ-UHFFFAOYSA-N
+CN(C)CC1=CN(C2=C1C=CC(=C2)F)CC(F)(F)CN3CCNCC3,51285B69EF9800D4_F0BEA1AD025894A6_6034_UN,8.146907,00000000000000000000000000000000000000000010000000000000000000000100000000110001101101110001010010101100110100011001001011100100110000100110001001011101010110101111010,AAAGGXYLQFETBG-UHFFFAOYSA-N
+CC(C)(COCC1CNC2(CO1)CCC2)C3=CC4=C(C=C3)CCCC4,8DB008E5B5B79C64_16CCB451CA52385B_6039_DP,8.1468,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000100011000101101100110011011001001011000010110010000110000011010101110111111111110,SJBCATAXGYYXRO-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)N[S](C2=C(C=CC(=C2)OC)C)(=O)=O)C#N,EE898F4E32676D49_40DCFB2633CD29BE_6043_UN,8.146544,00000000000000000000000000001000110000000100000000010001001111001001010001000000010000101000011001000010001001001101010000011111001001011000111111101111110111111111110,BSXUKLZXQWSEMB-UHFFFAOYSA-N
+N1CCCC2=C1C=C(C(=C2)N[C@H]3[C@@]4(C3)C5=C(OCC4)C=CC=C5)F,39B0EDBAAB8FC05C_8473D70105DF9F1D_6041_DP,8.146521,00000000000000000000001000000000000000000010000000000000010000000010000000000000001000010011000000101100110101011100001011000100110111110110001011010011110011100111110,LYKFDXMWYXSLRW-UXHICEINSA-N
+CN(C)CC1=CC(=NC=C1)NCC3=CN=C(N2CCN(C)CC2)C=C3,4280BDBB278D5FD1_3E0801D785CC98ED_6041_UN,8.146495,00000000000000000000000000000000000000100000000000000000000000100100000000110101101001100001010000101000000000010001101011100100110001010110011001011101010110101111010,LSSGUWLDXLVQSN-UHFFFAOYSA-N
+FC2=C1C(=CN(C(C1=CC=C2)=O)CC3(CCNCC3)CC4=CC=CC=C4)Br,067A4DABF6233F52_ED8F288715B918FB_6034_UN,8.14614,00000000000000000000000000000000000000000010001000000000000000000110000000010000001001110001100000101100110100111100011011100101110000100110001111011011011110100111110,KHWOKOYGRWUQNU-UHFFFAOYSA-N
+COC(COC1=CC=C(C=C1)CN2CCNCC2)C3CCOCC3,57B5DDF49A4DD660_99FC8B7D525ACA1A_6035_UN,8.145587,00000000000000000000000000000000000000000000000000000000010000000000000010010001001001100001010000101000100011010100101011100011110010000110001101111001110101111111110,HCRHICDOBIQAFB-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)CNC2)CCC3=CC=CC(=C3)OC,95887E153686CE4B_6668D0E93AEEDD44_6031_UN,8.145426,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100001010010001100010001000100001001010111010010000110000111110001111101111111110,XCURRWBLKBQZLO-UHFFFAOYSA-N
+CC[C@@H](OCCCN1CCOCCC1)C2=CC(=C(C=C2)F)C,B88E4355D0D20D81_8C27A41AC9D74071_6039_UN,8.145403,00000000000000000001000000000000000000000010000000000000010000000000000000010000000001110000000101001000000111010010001011100010110010100110000010011110110101111111110,GODUSCSSXRDCSF-GOSISDBHSA-N
+CC(C)CC1COCCC1OC3=C2CCCCC2=CC=C3,1FB8E020F30D07EC_7421D86512F1F685_6035_UN,8.145324,00000000000000000000000000000000000000000000000000000000010000000000000000100000000000100100000000100100010011000101001000000011110010000110000111010110110101011011110,WGTWCKNDMHTBCF-UHFFFAOYSA-N
+N(C2=C1CNNCC1=CC=C2)C(=O)C(=CC3=CC=CO3)C#N,976C882626584159_3170598116343B94_6038_UN,8.144502,00000000000000000000000000000000000000000100000000101100010000000000110000001000101100000011101011111100110000110000010011001100010101010110001011000001111010110111110,MWPSMPJWHOYYGS-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NC(C(OC)OC)C4=CN=CC=C4,1E4263C9EDDF2730_6B70D6D2CF01A663_6041_UN,8.14412,00000000000000000001000000000000000000000000000000000000010000000100000000010000100001100100010101101100010001010100001011110111110011010110101111111101110111111111110,OWVKZUZJAZNZCF-UHFFFAOYSA-N
+O(C1=C(C=C(C=C1)C(F)(F)F)C#N)CC3CC2(CCNCC2)O3,572CB2C119CAACB3_099AF8645AE3118D_6039_DP,8.143906,00000000100100000000000000000000000000000110000000000000010000000010000010000000001000100001000001101000111101011100001011000011110010100110001111010011110101110111110,SJKZEDQUPDXMKN-UHFFFAOYSA-N
+N2C[C@H]1CN(C[C@H]1C2)C3=NC(=NC=C3)NC(C#N)C4=C(C=C(C=C4)F)F,513B9ADAA4E32450_73AC47D2639304AA_6041_DP,8.143555,00000000000000000000000001000000000000100110000000000000000000100100000000010101101101110011000010101100011100000000000011100100110101110110001011001011010010100111010,YHEBCRVSIAPDDP-HBBFGDNQSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)NC[C@]23CC[C@H]2CCCN3,8A46FAECBBE85CB5_76B5B72F42640F31_6041_DP,8.143301,00000000000100000000000000000000000000000100000000000010000000000010000000100001001000000011000000101100110010011000001001000000110101010110011011010111010110101111010,HFMRYWMXFGOION-DNVCBOLYSA-N
+N2CC[C@@H]([C@H](OCC1=CC(=C(C=C1)C#N)F)C2)C3=CC(=CC=C3)C(F)(F)F,7C57B2FDE7C47087_9AC5797F390475B1_6039_DP,8.14323,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000110001000100101000101101011000001001000111110010100110001111010011110101100111110,MVBUAAQXEQEPLK-IEBWSBKVSA-N
+CC(C)(CC1=CC=C(C=C1)NC2COCCNC2)C#N,F6F7A9AD42AE06A1_F29B09EC8FC15BB0_6041_DP,8.1431675,00000000000000000001000000000000000000000100000000000010010000000010000000100001001000100011000101001000100001011001001011000000110111010110001000010101010111101111110,CGAICBRIMYKUTN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCC2=O)NCCN(CC3=CC=C(OC)C=C3)C,E62D934B0C8BF93C_00C3E4AA56223BC5_6041_UN,8.142597,00000000000000000000000000000000000000000000000000000000010000000000000000000001001001100101010000101100110001010101101000100111010011010110001111111101111111111111110,YTUBMKPONVXBPZ-UHFFFAOYSA-N
+NCC2(OCCCC1=CC=CC(=C1)C(F)(F)F)CCSC2,402011CE817FB22D_B51E3BB04A072A0C_6039_DP,8.142122,00000000000000000000000000000000000010000010000000000000000000000010000000000000001110101011000110001000001101001000001000000011110010100110000100010001110101100111110,PUCVMMODJLDOKV-UHFFFAOYSA-N
+COCCCC(=O)C1=CC=C(C=C1)NCCC2=C(N(C)C)N=CC=C2,96B9093CF1BBC6DB_6EE1F0F733ADD7B9_6041_UN,8.141826,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001100000010000101000100011010001101001100110000011010110011011011111111111111111110,OGJAPQDUFYZLIP-UHFFFAOYSA-N
+COC2=C1N=CC=CC1=CC(=C2)NCCOC3=CC=C([S](C)(=O)=O)C=C3,34DD8548F53B6EF8_C8315B7762F180DA_6041_UN,8.141668,00000000000000000000000000000000000000000000000000010001001111001101000001000000011000001000010101101110110001011100001001001111001011011110101101111101110111111111110,HIZSNBNDBBZGCW-UHFFFAOYSA-N
+CN4CCC1=C(C3=C(N1C[C@H]2NCC[C@@H](C(C)(C)C)C2)C=CC(=C3)Cl)C4,DB286D71AE744AC9_5C3D890A1E34DA8D_6034_UN,8.1415205,00000000000000000000000000000000000000000000000000000000000000000110000000110001101101110001010010101101110110011001101011100100110000100110011011011101010110101111010,PQROVSXPROAOAU-WBVHZDCISA-N
+COC1=CC(=CC(=C1)NCCCC2=CSC=C2)[N](=O)=O,100D02904679B758_F934A3BD8346BF66_6041_UN,8.141269,00000000000000000000000010000000000010000000000001000000100000010000001100000000101100001010011011001010100000010100001100101111001001010100001100111001110111111111110,OZLKVJICBMJURB-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CN[S](C2=C(C=CC(=C2)CO)Cl)(=O)=O)C#N,1EB4B8F820498274_02E10BE1AC00BA5B_6029_UN,8.141203,00000000000000000000000000000000110000000100000000010001001111001001010001000000011000011000011001001011001101001100010000001111001100101011101111101011110111111111110,NOCHIDVKFCOBNL-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)CC#N)NC[C@@H]2C[C@@H](CN2CC3=NC=C[N]3C)F,2084F7413A1276CE_0F75DEB540761FF3_6041_UN,8.141072,00000000000000000000000000000000000000100110000000000000000000000100000000010101001101110011010010001000000100010000100011100100110001110110001010001011010110101111010,JBSKKSCENKEWBH-GJZGRUSLSA-N
+C1(=CC2=C(C=C1)OCC2)NCCN(C)CC3=CC=C(C=C3)F,18965EF9A085B949_1DE0C847FDB75FB8_6041_UN,8.140816,00000000000000000000000000000000000000000010000000000000010000000000000000000001001101110001010010001100110101010101101000100100010011110110001011011001110111101111110,BFVMYBNTICSYRT-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)N[C@H]3[C@H]2CCN[C@H]2C3)OC4CCOCC4,678D9AB8C75C433A_A10A65E927560DE9_6041_DP,8.140454,00000000000100000001000000000000000000000010000000000100010000000000000000000000101100110111000010101000110101010100001011000011110111110110001111010011110011110111110,DFCQKBKZSPODMJ-CWRNSKLLSA-N
+COC1=CC(=C(C=C1)OC2=CN=C(OC)C=C2)CN(C)C,45F6EA7A01ADFDE5_08C6F657F41C0B48_7022_UN,8.140335,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000110101101000000000100101010001100111000000000100011111101110110111111111110,ATIMHCNFKNHSHW-UHFFFAOYSA-N
+COC(COC1=CC(=CC=C1)CN2CCNCC2)C3CCOCC3,C7AA2CB029E0528C_8B4161ADEAFDD7C1_6035_UN,8.140036,00000000000000000000000000000000000000000000000000000000010000000000000010010001001001100001010000101000100011010100101011100011110010000110001101111001110101111111110,GYUAQJWFSKYYIZ-UHFFFAOYSA-N
+N1CCN(CC1)C2=CC(=CC=C2)OC3=CC=C([S](Cl)(=O)=O)C=C3C#N,EBAC9D3C9F6E10BE_C65E44D0ACB26D01_6003_DP,8.1397705,00000000000000000000000000000001000000000100000000010001001111101001000001010001011001101001000001101011101100011100001011101111111001111110001111111011110011110111110,AKHWALNAZBNLGG-UHFFFAOYSA-N
+CN(CC1=NN=C(C=C1)NC2C(C)(C2)C3=C(C=CC(=C3)F)F)C4[C@@H]5CNC[C@H]45,308E5F03F71E1EF9_4A84D089BE28F78C_6041_DP,8.139426,00000000000000000000001000000000000000100010000000001000000000100110000000000101101101110011011010101000110110011001100011101100110101110110001011001111010110101111010,LUXNBYBPUQENHF-QYCBYKEFSA-N
+CC2=CC1=C(C=C(C=C1C)Br)N2CC(C)(C)C3=CC4=C(C=C3)CCCC4,90665B226B7B7561_1F84BEBB695A0ABB_6034_UN,8.13929,00000000000000000000000000000000000000000000001000000000000000000110000000110000000101010000000010001100010100001001101001100100110000100100010011011110010110101111010,QZUJQUMPLOUGQB-UHFFFAOYSA-N
+N1CC4(C1)OC5(COC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)CC4(N)C5,3EF39A9D9A3532BB_781BBA2054D82F34_6035_DP,8.139022,00000000100100000000000000000000000000000010000000000100010000100010000010000000101110100011000111001000111101011100000011000111110111100110001101000001110111110111110,AEYKGNVNIZFQLS-UHFFFAOYSA-N
+N2CCC(C(OCC(=O)CC1=CC=C(C=C1)C#N)C2)C3=CC=C(C=C3)F,B2801D77AD53DD9E_2DE7757DCF446CF3_6039_DP,8.138964,00000000000000000000000000000000000000000110000000000000000000100000000010000000001000110001000100101000100101010000001001000111110010100110001101010011111101110111110,XGLOGVWQCJLWEM-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)C(=O)C=C)NC2CCNC3(C2)CCC3,7C4C76A445CD08AA_397AA12DAE486064_6041_DP,8.138842,00000000000100000000000000000000001000000010000000000100000000000010000000000000101000010011000000111000110100011000001001000000110101110100001011010011111010100111110,JJUINNQJWRKQAD-UHFFFAOYSA-N
+NC3(COC1=C2C(=CC=C1)OCCNC2)CCC(F)(F)CC3,8C4FD3D576422D78_4DDA6A1F6C852DE5_6035_UN,8.138502,00000000000000000001000000000000000000000010000000000000010000000010000000000000001010110110000101001100110101011100001011000011110111100110001111010001110111110111110,SEAQEOCMHFWRKL-UHFFFAOYSA-N
+NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3C[C@H]4O[C@H](OC)CNC4)Cl,10B4FB3977B39F59_FF79844A27BABBC8_6034_UN,8.138392,00000000000000000000000000000000000000100000001000000000010000100100000000010101101111110010010110101101010100000000100011110111100111110110001111001011110111111111110,ZLIRUPGWFULCOK-UGSOOPFHSA-N
+COC1(CC3(C1)CNCC(OC2=CC=C(C=C2)CCC#C)C3)OC,C4DBE9F99EB88F48_F0B2841ED9CA10E6_6035_UN,8.138327,00000000000100000100000000000000000000000000000000000000000000000010000000000000001000100010010100101000010000001100101001010011100010000110000101110101110101111111110,LCAKFNKZQKURQI-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCC3=CC(=C(SC)C=C3)C,A24F3A917785AB5A_2D496CF224D4F034_6041_UN,8.138023,00000000000000000000000000000000000000000000000000000000010100001000000000010000011001101000010100101000000011010000001011100100110011010110001011011111010111101111110,HKNGIJMWAZKJDW-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=NC=C1)NC[C@@H]2O[C@H](CC2)C3=CC=CC=C3,D74AC8020EB5876D_2446049BF27C03D5_6041_UN,8.137989,00000000000000000100100000000010000000100000000000000000010000100100000000100100001100100011010110101000000000001000001011000100110011010100011001011101110111101111110,TWYRQRPSASQAEC-WOJBJXKFSA-N
+C2(=C1OCCC1=CC=C2)NC(CC)(CC)C3=CC=C(C=C3)Cl,69FFF5519638A7F9_75084DF376FE17FE_7022_UN,8.137845,00000000000000000000000000000000000000000000000000000000010000000010000000000000000100010001000110000101110101011110101000000100000011110100000011010101110111101111110,PSCIRGONKBUPIL-UHFFFAOYSA-N
+CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCC2(CCNCC2)C#N,30E0CF6D97F4B184_B5F4D306714E6806_6039_DP,8.137588,00000000000000000000000000000000000000000100000000000000000000000010000000100000001000100001000000101000100011011001101001000011110010000110011101010111110101101101110,CIRQTYOOAVUWMW-BBWFWOEESA-N
+COC1=C(C(=CC=C1)CCN[S](C2=C(OC)C=C(C(=C2)OC)CCl)(=O)=O)F,B3EE1A9CFA3085C5_28AD482B2EFA999A_6029_UN,8.137566,00000000000000000000000000000000110000000010000000010001001111001001010001000000011000011100011001001011101110011100011000001111001000101010110111111111110111111111110,OFXAEKDGXKMBQQ-UHFFFAOYSA-N
+CC(C)C1=C(C2=C(N=C1C)C(=CC=C2)F)NCC4CC3(CNC3)C4,120B2C4AEAA29031_67FFBD0E07FA0B24_6041_DP,8.137524,00000000100100000000000000000000000000000010000000000000000000000110000000100000101000110010000000101100010100001000000011000100100101110110011011000111010110101111010,SSPAZWKCPHBZJT-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)C2=CC(=C(C=C2)F)F)C(C3CCNC34CCSCC4)=O,8ADADB699591E717_D7C5C1E40CFFB438_6038_DP,8.137305,00000000000000000000000000000000000010000010000000000100000000100010000000000000101100111011100011101000110100111000011011000100110101110110001011010011011010100111110,YMXGIZFZHLIATH-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)C2=CC(=C(C=C2)Cl)Cl)C(C3CCNC34CCSCC4)=O,9BF2BDF9F70A8E98_A97E98FC2EC5D747_6038_DP,8.1373005,00000000000000000000000000000000000010000000000000000100000000100010000000000000101100111011100011101001110100111000011011000100110101110110001011010011011010100111110,XVGWDBANLYQZOH-UHFFFAOYSA-N
+FC(=C)C1=CC=C(C=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C,51852AFEC6E94B54_D5D009E1A2972BA4_6041_UN,8.137101,00000000000000000000000000000000001000000010000000000000000000100000000000011000101101100011010010011000000110010101101001100111110001110110001101011111110111101111110,BUGUVGXKWDVXSR-WIYYLYMNSA-N
+COC1=C(C(=CC=C1)CC#N)NCC2=CC(=C(N(C)C)C=C2)F,06A54FF53871243D_172B97CD43836586_6041_UN,8.137101,00000000000000000000000000000000000000000110000000000000000000000000000000100000001001110010010100001000000100010100000000100111100001110000011111001111110111101111110,YIDVZLHAGMHWHP-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN[S](C2=C(OC)C=C(C(=C2)OC)CCl)(=O)=O)C,C83144D6BC692CAC_41C04A90C5258C57_6029_UN,8.137068,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000001100011001001011001010001100010000001111001000101010110111101111110111111111110,DLJZKNKAIUFPJM-UHFFFAOYSA-N
+CC(C)(C#N)C1=CC=C(C=C1)NC2CC23CCNCC3,A4262D36AF70C578_5E9EC58164870CB6_6041_DP,8.13701,00000000000000000000001000000000000000000100000000000000000000000010000000100000001000100011000000101000110000011000001001000000110101010110001001010101010010101111010,YIHLRGNDPDPPGT-UHFFFAOYSA-N
+OC(=O)C1=CC4=C(C(=C1)NC3=CN=C(N2CCN(C)CC2)C=C3)OCCO4,98E89D30A99C4547_C758206E9330A64E_6041_UN,8.137004,00000000000000000000000000000000000000100000000000000000010000100100000010010101000001100001010101101100010001010101101011110100110111010111101011111001111011111111110,PNPRSTICIXEYTP-UHFFFAOYSA-N
+CO[C@H]1O[C@@H](CNC1)COC2=CC=C(C=C2)C3C(F)(F)C3(F)F,266AC03C8C00F4C3_1A2BE4D364559551_6035_UN,8.136907,00000000000000000000001000000000000000000010000000000000010000100000000010000000001000110010010101101000000101001100100011010011100010100110000101100011110101111111110,BGDFDRAMCDNVMX-RYUDHWBXSA-N
+FC1=C(C=C(C=C1)OC2=CC=C(C=C2)C#N)NC[C@@H]3C[C@H]4CNC[C@@H]34,BA38AC74EE33002E_7E58EEB24DF3B1CC_6041_DP,8.136843,00000000000100000001000000000000000000000110000000000000000000000000000000000000001100110011000011001000010100000100000001000111110101110110001111000011110111100111110,YRQFCKDWHDCRBW-RLFYNMQTSA-N
+CC1=CC2=C(C=C1)N(C(=N2)C3NCCC3)CCCC4=C(N(C)C)C=CC=C4,E6051BB793501F28_032818E57FC340D9_6034_UN,8.136809,00000000000000000000000000000000000000100000000000000000000000100100000000110101001101100011010010001100110010010000001011100100110001010110011011011111010110101111010,GYYZJPZJAUZDGU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CSCC#N)NC2=C(OC)C=C(C=C2)C[S](=O)(=O)C,A6501E4A6BE849D0_4DF2BB1F0496C921_6041_UN,8.136783,00000000000000000000000000000000000000000100000000010001001011000001000001000000000000101000010100000010000000011101000000001111001011011010001111101111110111111111110,OODXKCZHJNHMMW-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CCOCC2)C#N)NCC3=CC=CC(=C3)COCCOCC,58305F6BCF60561C_07C2CFB2E1A42C59_6041_UN,8.136587,00000000000000000000000000000000000000000100000000000000010000100010000010000000001000100000000000101000000011001010101000000110110011010110001001110001010111111111110,GQPHKOOLBIHGJW-UHFFFAOYSA-N
+CN(C)[C@@H]1CCC[C@H]1OC2=CC3=C(C=C2)N=C(Br)C=C3,32CBE50DBA640273_32B29F6F3F18DE8F_6035_UN,8.136502,00000000000000000000000000000000000000000000001000000000000000000100000000100000000001110000010110100100010110010100101001100111010011100100001101011110100011101111110,LNQDZBWNLYPOLZ-HUUCEWRRSA-N
+C1(=CC2=C(C=C1)OCC(=O)C2)NC3=CN=C(N(C)C)C=C3,5358038F80EAD4C1_1FFF4FB6846512B3_6041_UN,8.136453,00000000000000000000000000000000000000100000000000000000010000000100000010100101000001100001010000100100010001000100000011100101100011010100001111001101111011111111110,UMVWKMYWSFZFPO-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CCN[S](C2=CC(=C(C=C2)CCl)C)(=O)=O)OC,C3AACBB500B6CA83_BB3C8CA2623B60BB_6029_UN,8.13619,00000000000000000000000000000000110000000000000000010001001111001001010011000000011000001000011000001011101000011100111000001111001000101010110111111111110111111111110,NORVLJRTGHAZRW-UHFFFAOYSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4(COCCN4C)CN,9D7802036FFED7A8_57F269F08164E002_6034_UN,8.136006,00000000000000000000000000000000000000000000000000000000010000100110000000010001101111100011010111101100110001011001101011100100110110000110001001011011010111101111110,DYWIRFDDJSRLDE-UHFFFAOYSA-N
+C(CC2COC1(CCCC1)O2)=CC3=C(C=C(N(C)C)C=C3)C(F)(F)F,008ABE4436575808_E8ECD943F9369602_7019_UN,8.135984,00000000000000000000000000000000000000000010000000000000010000000000000010100000000101100000010010010000011101001000001010110000110011110100000010011110110111111111110,SOORZZJNRSCLLX-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C#N)NCC2CNC3(CO2)CCC3,4C481DC702CCD59B_EF1C56899CB67690_6041_DP,8.135972,00000000000100000000000000000000000000000100000000000100010000000010000000000000101000000011000100101000110011011000001011000000110111010110001011010011110111101111110,FTMBODQWSYCRSH-UHFFFAOYSA-N
+C2(=C1C=CC=NC1=C(C=C2)C#N)NCCN3CCOCC3(C)C,BA36C4A7C484454F_E468604A7F828805_6041_UN,8.135127,00000000000000000000000000000000000000000100000000000000010000000110000000110001101001100001000100101100110011011001101011100100110011010110001001011111010111101111110,PDQRHKKPNHTNJC-UHFFFAOYSA-N
+C[C@@H](OCC2CCC1(CNC1)O2)C4=CC3=C(C=CC=C3)O4,A9A7F24C3218EF45_ED705136D5D8B2F0_6039_DP,8.134692,00000000100100000000000000000000000000000000000000000000010000000010000010000000001100100011000110001100010001001000101011000110110010000110000000110001110101111111110,BZGQZXSVHLYICK-PUODRLBUSA-N
+COC1=C(C=C(C=C1)CSC)NCCC[N]2C=C(C)C=N2,5341198B35F3D0F5_53CC58346795E63D_7022_UN,8.134346,00000000000000000000000000000000000000000000000000001000000000000100000000010000101100101011011110001000100010010101001011101111000001010110011110011111110111101111110,YXMNDVFSGAZHFD-UHFFFAOYSA-N
+O(C1=C(C=C(C=C1)C(F)(F)F)C#N)CC3CCC2(CNC2)O3,69D2B15141F84B1D_60ADFFE33F63DBDB_6039_DP,8.134016,00000000100100000000000000000000000000000110000000000000010000000010000010000000001100100011000111001000011101001100001011000011110010100110001110010011110101110111110,DKEQVOUZEJONAU-UHFFFAOYSA-N
+COCC1=C(C=C(C=C1)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3)C#N,A0408796977EA55D_9E24E84804BD9E50_6041_UN,8.133476,00000000000000000000000000000000000000000100000000010001001111001101000001000000111000101000110001101010000001101101010001001111001001011110101111101111110111111111110,JIDRUWDULRRWAE-UHFFFAOYSA-N
+N(C2=C1C=CC=CC1=NN=C2C#N)C(C45CC3(CC(CC(C)(C3)C4)C5)F)=O,B3ADF877CFD8650B_DB7CDB84B3B25CC3_6038_UN,8.133427,00000000000000000000000000000000000000000110000000001000000000000110000000000001100000010010101000100100010110101001010011001100100001110100001011000011001010101111110,VKFTXKYQENCQKD-UHFFFAOYSA-N
+CN(C)C1=C(C=C(C=C1)C#N)NC2(CCCNC2)CC=C,8D0D4ADED216E33F_0A97882C8E187663_6041_DP,8.133231,00000000000000000000000000000000001000000100000000000010000000000010000000100001001001100011010000111000100000011000001001100000110101010110001011011111010110101111010,JVYCVOVWFPEQFM-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC3=C2C=C(C=CC2=NC(=C3C)C)F,B61BC21EFF5BA49D_233A15BDB67DEB69_6035_UN,8.132237,00000000000000000000000000000000000000000010000000000000000000000110000000100000001001110001010101101100110110011101001011100111110010100110011111011111110111101111110,SUAQVCYMZCXEEM-UHFFFAOYSA-N
+COC2CNC(C)(COCCN(C)CC1=CC=C(C=C1)F)C2,67392B1A7234DE90_AC6A20A2BC9D469F_6039_DP,8.132202,00000000000000000000000000000000000000000010000000000000000000000010000000000000001101110011010111001000100111011001101001100011110010100110011100011101110111111111110,KBAYUTVWZHYMAY-UHFFFAOYSA-N
+CC[N]1C(=NC2=C1C=CC(=C2)F)COCC3=CC=C(C(C)(C)C)C=C3,764DF88ACE73ABF5_9BEA18AF6300AF82_6039_UN,8.131874,00000000000000000000000000000000000000100010000000000000000000000110000000110101000101110000000110001100010111011010000011100110010000100110011011001110010111101111110,RVGFOKMWVHKXQM-UHFFFAOYSA-N
+O(C[C@@H]1NCCOC1)C2=C(C=C(C=C2)C(F)(F)F)C#N,9FC84B68D43C9344_A72832120692A983_6035_UN,8.131478,00000000000000000000000000000000000000000110000000000000010000000000000000000000001000100101000101101000101101011100001011000011110010100110001111010011110111110111110,GTODEXNXSIWDED-LLVKDONJSA-N
+COC3(CC(COCC1=C2C(=CC=C1)N=CC=C2)(CN)C3)OC,68490FC49E12417C_D2117C0BBCFBD131_6039_DP,8.131285,00000000000100000000000000000000000000000000000000000000000000000110000000000000001010100010010001101100010001001000100001010111100010000110001101100101110111111111110,GOISINICTBCKSF-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)F)[C@H](C)OCC2CNCC3(O2)CCC3,723F9BF4BBA7038E_9FF3106810230342_6039_DP,8.131027,00000000000100000000000000000000000000000010000000000000010000000010000010000000001000110111010101101000010101001100101011000011110010100110000111110111110101111111110,CJIVTWJEQSKFFF-NBFOIZRFSA-N
+C1(=CC2=C(C=C1)[C@@H](CC2)N=[N]#N)NCC3(CNC3)COCC[Si](C)(C)C,3FABF3880AA5FFAD_046A2710A0478A90_6041_DP,8.130253,00000000100100000000100000000010000000000000000001001100000000000010001000100100101000100011011011001100010001011001101101001010111111010110011010011101010111101111110,MSEVKSBCPIGURC-GOSISDBHSA-N
+COC1(CCOCC1COC2=C(C=C(N)C=C2)CN3CCOCC3)OC,BC05413AA3F17BE0_7ADE1855BA2EE838_6035_UN,8.130251,00000000000000000000000000000000000000000000000000000000010000000000000000010000000011100101010101101000000011011100101011110011110011010110101111111111110111111111110,UPBFHXRYENNOBR-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)C#N)NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3,1871673135F84E38_96CCB69AB4FDD8C0_6041_UN,8.129984,00000000000000000000000000000000000000000100000000010001001111001001000001000000110000001000010000000010000000001100000000001111001001011000001111101111100011111111110,INRVHLLCOJIAEN-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)C#N)NCC2CNCC(O2)(C)C)C,359C2FF43A600BC0_7A0CB70720A729BE_6041_DP,8.129775,00000000000000000000000000000000000000000100000000000100010000000010000000100000101000100010000100101000000010001001000011000000100111010110011011000111110111101111110,SVWVMFCRSMVKBU-UHFFFAOYSA-N
+CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)NC(CC4=CC=CC(=C4)C)C5CC5,01413A44784156C5_F594661C25602F5C_6041_UN,8.129614,00000000000000000000001000000000000010100000000100000000000000000100000000000100110100001011000010100100110010010001101011000100110001010100011011010101000110101111010,JSGXNNJHDZGHRP-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OCC1=CC2=C(C=C1)OCCO2)CCOCC3,BA5CA9CB94AE5CB5_539B533A1927FE86_6039_UN,8.129529,00000000000000000100100000000010000000000000000000000000010000000010000010100000000000100100010000100100010001001100001010000011110010000110110111111100110101011011110,JAWHUMOIQSTJBW-UHFFFAOYSA-N
+O(C1=CC3=C(C=C1)OC2(CCCC2)O3)CC4=CC=CC(=C4F)[N](=O)=O,7C758FB1FA5F0EC3_E024A641F095805A_6039_UN,8.129461,00000000000000000000000010000000000000000010000001000000110000010000001110000000000100010100001010000110010101001100001110111111011011110100100111111010110111110111110,DZGSVOOFBFVVAI-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)C(C)(C)C)NCCCN2CCOCCC2,26A62349A72FADB0_1DB1E9FE47DEE73F_7022_UN,8.129084,00000000000000000001000000001000000000000000000000000000010000000010000000110000101001100011010101001000100001011101001011110011110011010110011110111111110111111111110,VDHICPJMOLAQQP-UHFFFAOYSA-N
+ClC2=C1N=C(N(C1=CC=C2)CCN3CCNCC3(C)C)CC#N,20919B34C4B5CDD9_5290A9E31E63478F_6034_UN,8.129046,00000000000000000000000000000000000000100100000000000000000000000110000000110101101101110001000010101101110110011001101011100100110000100110001011011111010110101111010,QSZFRRSYKNSUGO-UHFFFAOYSA-N
+C1NCC1C3=NC2=C(C=CC=C2)N3CC4(F)CNCC45CCC5,86921E80B3978448_0B4426976EC0E154_6034_UN,8.128001,00000000100100000000000000000000000000100010000000000000000000100110000000010101101101110011000010001100010100001000001011100100110100100110001010011011010110100111010,QAOVCCZSLVCXBA-UHFFFAOYSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CCC4(N)CCOCC4,7F15735559D7079E_8B95A8C2DB65D92D_6034_UN,8.127811,00000000000000000000000000000000000000000000000000000000010000100110000000010000101111100011000011101100110001011000001011100100110111000110001001011001010111100111110,ASLAZYLLIJTZRU-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)C2=CC3=C(C=C2)OCC3)C(C4=CC=C(N(C)C)C=C4)=O,6B9E0C2FB26771D7_559C3D42A4171118_6038_UN,8.127441,00000000000000000000000000000000000000000000000000000000010000100000000000100000000101100000110010000100010001100100011000100100000011010100001011011101111011111111110,YCAMLUHUHMMCOC-UHFFFAOYSA-N
+C2(=C1SC=CC1=NC=C2)NCCC3=CC(=C(C=C3[N](=O)=O)OC)OC,3A104AD702AC7CB0_321CB5EB8A1850E5_6041_UN,8.127266,00000000000000000000000010000000000010000000000001000000100000010100001110000000111100001000011011101110110000010100001111101111001001010100101111111111110111111111110,QJPSYUHBNSAYHV-UHFFFAOYSA-N
+C1(=CC(=CC=C1)N2CCC[S]2(=O)=O)NC3=CC(=C(C=C3)N(C)C)OC,8BD08B737EF7AAB1_2A05918D401AE4DD_6041_UN,8.126831,00000000000000000000000000000000110010000000000000010001001011100001000001110000110101101000011111001010001000011100011011101111011011011110011111111111110011111111110,GBBZYPLBQDTRAR-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3)CC#N,B0B845F763162384_0F4D4B266B597D84_6041_UN,8.126775,00000000000000000000000000000000000000000100000000010001001111001101000001000000111000001001110001101010000010111100010001001111001001011100101111101111110111111111110,GFPDMLCZPSDYNM-UHFFFAOYSA-N
+FC2=C1C(=C[NH]C1=CC=C2)NCCN3CCC(N(C)C)CC3,1E6205A23133A241_F520F0DDF39438F1_6041_UN,8.126614,00000000000000000000000000000000000000000010000000000110000000000100000000110001101101110001010010101100110110010000101011100100110101110110001001011101010110101111010,SQECIMBEMDGDMI-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)C=CC=C2)F)NC[C@@H]3C[C@@H](CN3CC4=CC=N[N]4C)F,D552AAC1B0B012CA_3B9E199434833EEC_7022_UN,8.126275,00000000000000000000000000000000000000000010000000001000000000000100000000010001101101110011011010001100010100010000100011101100110001110110001011001011010110101111010,QNXQNHHELSTKNA-RDJZCZTQSA-N
+N(C1=CC2=C(C=C1)COC2)C(C3=CC(=C(N(C)C)C=C3)F)=O,CF18BD1514DBD437_B43B74475C7AB620_6038_UN,8.125848,00000000000000000000000000000000000000000010000000000000010000000000000000100000000101110001110010000100010101100000010000100100010001110110001011001111011011111111110,QKJAUUZZRQASHX-UHFFFAOYSA-N
+CC[C@H](OCCN1C(C)COCC1)C2=CC(=C(C=C2)F)C,BD0EC8FAF365E625_EF1B29A244B82975_6039_UN,8.125774,00000000000000000000000000000000000000000010000000000000010000000000000000010000000001110000000100101000000111010011101011100010110010100110010011011110110111111111110,YXXLKLYJAUYYPD-JRZJBTRGSA-N
+CC1=C(C(=CC=C1[N](=O)=O)NCCCC2=C(C=CC(=C2)OC)OC)[N](=O)=O,8F9026928464F0E5_9D16369A85670929_6041_UN,8.125232,00000000000000000000000010000000000000000000000001000000100000010000001100000001101000000010011001001010100010010100001100101111001001011000111111111111110111111111110,OBJFOLHMDGLKKU-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)NC[C@@H]3[C@@H](C2=CC=N[N]2C)N(CCC3)C4CC4)C#C,3C8A6FAE2428BA63_E42BDF1411A5B579_6041_UN,8.124877,00000000000000000100001000000000000000000010000000001000000000100100000000010001101101010011011010101000000100010000001011101100110001110110001011011011010110101111010,QSARIDCSOBBMSA-IERDGZPVSA-N
+CN(C)[C@H]1C[C@@H](CC1)OC3=C2N=CC=C(C2=CC=C3)Br,E14D66215A057658_F5773F6E2713881F_6035_UN,8.124809,00000000000000000000000000000000000000000000001000000000000000000100000000100000000001110000010111100100010110010100101001100111010011100100001101011100100011101111110,JRSWRFNOTKUHCA-VXGBXAGGSA-N
+CC1=CC=C(C#N)[N]1CC34OC2(CCNCC2)C(C3)(N)C4,F645BEF491B90D89_3B1D18A44B0E8E25_6034_DP,8.124744,00000000000100000000000000000000000000000100000000000000010000000110000000010001001111100011000111101000110000011000101011100000110111000110001010011011110111101111110,AQYUYSGCZKBXKQ-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C3=C2CC4(CC3)OCCO4)CCNC(CC)C5=CC=CC=C5,82380244CA964E9E_5085616DCF3004A0_6034_UN,8.1247425,00000000000000000000000000000000000000000000000000000000010000000100000010010001001101000000010010001100110011011110001011110111110010000110001111111101110111111111110,MHRKLKCSYINHJJ-UHFFFAOYSA-N
+N(C1=C(C=CC(=C1)F)O)[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,971AF163E5F73DD3_7092398CD9029F89_6029_UN,8.124617,00000000000000000000000000000000110000000110000000010011001111001001010001000000010000011000011100000010001100001100010000001111001101111001101111101011100011111111110,HZHRWAOSINLLAZ-UHFFFAOYSA-N
+CC(C)C1=C(C2=C(N=C1C)C(=CC=C2)F)N[C@H]3[C@H](CCNC3)C4=CC(=CC=C4)F,6B497E7DC24ED03F_E9E95B2D9DFEB879_6041_DP,8.124613,00000000000000000000000000000000000000000010000000000010000000100100000000100001101000110011000000101100110100010000001011000100110101110110011011010111010010101111010,HBHLFKWOZZZCOR-WIYYLYMNSA-N
+N(C1=C(C=CC(=C1)Cl)O)[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,044828D9CF42448C_D6F69944ED8D7B13_6029_UN,8.124612,00000000000000000000000000000000110000000100000000010011001111001001010001000000010000011000011100000011001100001100010000001111001101111001101111101011100011111111110,FDRUFULKPSAZMF-UHFFFAOYSA-N
+N(C1=C(C=CC(=C1)I)O)[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,9B2480A31732EF30_F4D08212929F6138_6029_UN,8.1245985,00000000000000000000000000010000110000000100000000010011001111001001010001000000010000011000011100000010001100001100010000001111001101111001101111101011100011111111110,BGMOZWRRGGTPNS-UHFFFAOYSA-N
+COC1=C(C2=C(C=C1)N=CC=C2)NCCC3=CC(=C(C(=C3)[N](=O)=O)OC)OC,E0F7B74217A263FB_45D7D65378AEB547_6041_UN,8.124241,00000000000000000000000010000000000000000000000001000000100000010100001110000000101000000100011101101110110000010100001101101111001001010100111111111111110111111111110,HKJBRQOILFGXBZ-UHFFFAOYSA-N
+FC2=C1C=C(N=CC1=CC=C2)NCC3COCCN3C,39FAB9046A85BD88_28D3FA075939596F_6041_UN,8.123721,00000000000000000000000000000000000000100010000000000000010000000100000000010101001001110011010101101100010101010001101011100100110011110110001001011011010111101111110,MVJJXOBSMJMDKE-UHFFFAOYSA-N
+CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC3=C2CCOCC2=CC=C3,138EDAD37C3D9542_793ADA0D1151D734_6035_UN,8.123226,00000000000000000000000000000000000000000000000000000000010000000000000000100000000000100000000000100100010011000101101000000011110010000110010111010110110001011011110,MWCJHBPPXZYBJD-OGWOLHLISA-N
+N(C1=CC(=CC=C1)C2CC2)[S](C3=CC(=CC(=C3)CC#N)F)(=O)=O,492F4226E3C0F724_4262FC890139388A_6029_UN,8.12313,00000000000000000000001000000000110000000110000000010001001111101001010001000000010000011000001000000010001100011000010000001100001001111000001001011001000110110111110,HZJNQWAQMHDEMJ-UHFFFAOYSA-N
+N(C1=CN=C(C=C1)OC2CCOC2)[S](C3=CC=CC(=C3C#N)F)(=O)=O,857F5DC38E5DB73D_C618C30428225DDD_6028_UN,8.1226425,00000000000000000000000000000000110000000110000000010001011111001101010011000001010100111100101010100010001101101100011011001111011011111110101111111011110011110111110,KCSQLTQOXDQHRW-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)NCC2(C)CCC3(CC2)CC3,8D82DB2F5590F16D_B3A0D879EF31F967_6041_UN,8.122387,00000000000000000000001000000000000000000100000000000000000000000010000000100000001000000011000000001000010010001001101000000000110001010000011011010111010110101111010,QGBPXLWVOFOFQZ-UHFFFAOYSA-N
+O(C1CC(CC#N)C1)CC2=CN=CC(=C2)C3=C(OC)C=CC(=C3)F,B23ED01926728A35_201F48E1C209C8BC_6039_UN,8.120977,00000000000100000000000000000000000000000110000000000000000000100100000000000000000000010000010001100000000101010100000001000111110010100100001111000010110101011111110,WKTVIZHCBWREBC-UHFFFAOYSA-N
+CC3(C)[C@@H](OC1=C(C=CC=C1)CNC2=CC(=C(C=C2)F)Cl)[C@@H]4CCN[C@H]34,FFFFBBB0A8B48B60_64CF19E27458AC67_6035_UN,8.120824,00000000000100000001000000000000000000000010000000000000000000000010000000100000001100010011000011001001110110011100001001000111000101110110001111010111110111101111110,DPTUMLAYTNFAAK-XPGWFJOJSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NC[C@@H]3CC(CN3)(C)C,6BA86CB89EC988B5_5D20E53E33B02457_6041_DP,8.120752,00000000000000000000000000000000000000000100000000001010000000000110010000100001101100000011001010001100110010011001000011001100110101010110001000000101010110101111010,MVWFRRLOFMHWQG-NSHDSACASA-N
+CC1=CC(=C(C=C1)OCC=C)NCC(N(C)C)C2CC2,0B6C2033AC412EE7_925A18F47482A3C9_6041_UN,8.1205225,00000000000000000000001000000000001000000000000000000000000000000000000000100001001001100001010100011000000011010100100000100011110001010010011110011111110111101111110,CLQIIKNEBJUDGT-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2CCCCN2CC)C=CC=C3)C4=CCNCC4,F752B21D7EB601E6_94ACDF00D5AA78D3_6034_UN,8.120277,00000000000000000000000000000000000000000000000000100000000000100100000000011001001101100001000010111100110010010010101011100100110000000110001011011111010110101111010,DWZYGKCRROYYJM-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)N=C=O)NC3=CC2=C(CN(C)C2=O)C=C3,1505F3277DF0B79D_DBE6B17BB532E0BC_6041_UN,8.1201935,00000000000000000000000000000000000000000000000000000000000000000000000000010011000101100000110010001100010000100001010101100101000001011100001111001111011010111111110,USQJCXLWLBPBRB-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCC2=O)NCC3=CC(=C(N(C)C)C=C3)F,D0BD6471221995B7_5BE1B684A13BE126_6041_UN,8.120035,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001110000010010001100010100000000001000100101000011110000001111011111111110101111110,QULZABNIBWAVRG-UHFFFAOYSA-N
+CC2=NC=C1C(=C(C=CC1=C2)F)NCC3COCCN3,6267C7DD7DDFC938_E6D6F9B76259EA80_6041_DP,8.11995,00000000000000000000000000000000000000000010000000000010010000000100000000000001101000110011000101101100110101010000001011000100110111110110001011010011010111101111110,LDSVCYIAPNGFGQ-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC2=CC=CC3=C2NC(C)CC3,03527B5FA5EF787A_84EC31345F4A59DF_6035_UN,8.119689,00000000000000000000000000000000000000000000000000000000000000000010000000100000101001100011010100101100110010011101101011100011110110010110011111011101110111101111110,VQPONZHGFIGFPM-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CC2)C#N)NCC3=CSC(=N3)COC,DE56DB316C248C8B_B3AC76435B7FAAEA_6041_UN,8.119382,00000000000000000000001000000000000010000100000100000000000000100110000000000001011100101001010110001000000001011001000011000110100001010110001010010011010111101111110,PZYAOROGPQQBCH-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)NCC2=NC(=CS2)C3=CC=C(OC)C=C3)[N](=O)=O,89D56E5B84FE2D74_0ABA21C925013216_6041_UN,8.118925,00000000000000000000000010000000000010000000000101000000100000110100001100000001011100001100011111001010000000010100000111101111001001010100101111101111110111111111110,ATCOGNKRMRXVON-UHFFFAOYSA-N
+CC3(C)C[C@@H](OCC1=NC(=CC=C1)CC#N)C2=C(C=CC(=C2)F)O3,C09AAD78344FE740_A1EEE0BAA23F7CE4_6039_UN,8.118652,00000000000000000000000000000000000000000110000000000000010000000110000000100000100000010100000100100100010101011101000011000111110010100100001111000100110111011111110,WKJZSNGBKZWXCN-GOSISDBHSA-N
+C1(=CC(=CC=C1)C2(CCC2)C#N)NC4C3CCCNC3C4(C)C,AF76F438AE53749D_78A97D8F477D23B9_6041_DP,8.11865,00000000000100000000000000000000000000000100000000000100000000100010000000100000101000000011000000101100110010011000001001000000100101010100001001010111010010101111010,PZHPUNLWWZBNEF-UHFFFAOYSA-N
+N(CCC[N]1C=CC2=C1C=CC=C2)C(C3=C(N(C)C)C=CC(=C3)[N](=O)=O)=O,BCC5606545B303A0_47F03D2839AE9DBF_6038_UN,8.118557,00000000000000000000000010000000000000000000000001000000100000010100001100110000101101100010111011001110110000110000011101101100001001011110001011111111011110111111110,LMMHRGOBBZHXTD-UHFFFAOYSA-N
+N3C[C@@H](OC1=CC=CC=C1[N+]#[C-])[C@H](CC2=CC=CC=C2)C3,F914F51FD32F7854_376E5426B4740633_6003_DP,8.118409,00000000000000000000000000000000000000000100000001000000000000000000000000000000001100100011000111001000000000000100000001000111110011010110001111000011110111100111110,MZWFSOONSBIGDE-CRAIPNDOSA-N
+O(C(=CC#N)C(F)(F)F)C1=CC=C(C=C1)C2NCCC2,08D218577F1596AE_D0BAE2C36EEEBEF2_6035_UN,8.118303,00000000000000000000000000000000000000000110000000000000000000100000000000001000001100000011000011011000101100011100001001000011010000100100001100010001110011100111110,WWIGOHZDIGWGGP-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC2CNCCC23CCN(C)CC3)C=CC=C4)C5=CCNCC5,9237C400008371F0_E275F80786AA52EF_6034_UN,8.117755,00000000000000000000000000000000000000000000000000100000000000100110000000011000101101100011010010111100110010011001101011100100110100000110001011011111010110101111010,FMKZTXVPLJEBRS-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=CC(=C1)NCC3CCC2(CCNCC2)CC3)F,A0796F58E76A9DD9_AACD4992AF9F7D15_6041_DP,8.117695,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000110011000000101000110100011000001001000000110101110110001011010111010110101111010,LMXDJUYDKVVZRP-UHFFFAOYSA-N
+CC(OC1=CC3=C(C=C1)NC2=C(C=CC=C2)S3)(CN)CN4CCOCC4,2818C4D238CBC8CE_503D3E6BA44F9DB2_6035_UN,8.117672,00000000000000000000000000000000000010000000000000000000010100000010000000010000111011101010000100101100010011011101001011100111110110010110001111011001110111111111110,DMNFLRAAVFBGSO-UHFFFAOYSA-N
+CNC1=C2C(=CC=C1)C=CN2CCC3(CN)CCOCC3,CEDF4A8E21830CB0_11011C8B9563ECC7_6034_UN,8.117431,00000000000000000000000000000000000000000000000000000000010000000110000000010001001111100011010010101100010001011000001011100100110111010110001001011001010111101111110,XVWZKMLICYVALN-UHFFFAOYSA-N
+CC(CCOCC1=CC(=CC=C1)CN2CCOCC2)C3=CC4=C(C=C3)CCCC4,4E5534463C0546E7_4B4D4054A0E561B8_6039_UN,8.117094,00000000000000000000000000000000000000000000000000000000010000000000000000010000000001100000000100101100010001010001101011100110110010000110000011011000010101111111110,YWDVKKLOFUCHRB-UHFFFAOYSA-N
+CC1(C)CCC(F)C1OC2=C3C(=C(C)C=C2)CCCN3,6842A64EBF904F29_777C3CA4B31DAEAB_6035_UN,8.116287,00000000000000000000000000000000000000000010000000000000000000000010000000100000001000010011000110101100110110011101101001000011100000110100010111010111110011101111110,DTTXYZDODNOOGM-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCCC2)C#N)NCC3CNCC(O3)(C)C,90C45345B7C4EE39_492D6CB97DD6C0CB_6041_DP,8.116191,00000000000000000000000000000000000000000100000000000100010000100010000000100000101000100010000100101000000010001001001011000000110111010110001001010101110111101111110,UICSZXKPKLGXRP-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)CC#N)N[C@@H]2CCN(C)[C@H]2C3=CC(=C(C=C3)F)F,8B1ED886C794ADCE_329BD9FDE6A568B8_6041_UN,8.116141,00000000000000000000000000000000000000000110000000000000000000100000000000010001100101110011010010001000100110010001101001100100000001110100001011011011010110101111010,DPVHCRCMSBRXCR-MJGOQNOKSA-N
+COC1=C(C=CC(=C1)CN[S](C2=CC(=CC(=C2)C#N)F)(=O)=O)C,7161C7BAE438DDBB_F688E7303F4B09A5_6029_UN,8.115958,00000000000000000000000000000000110000000110000000010001001111001001010001000000011000011000011000001010001100001100010000001111001000101000001111101111110111111111110,KAYGHDMVRPXCGT-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NCCN3CCC2=C(C=CC=C2Cl)C3,126EA6462BC14907_3853A256B16624F5_7022_UN,8.115281,00000000000000000000000000000000000000000100000000000000000000000000000000010001001001110001000000101101110100010000001001100100110001110110001011011001010110100111010,AWMDFARITPCDIY-UHFFFAOYSA-N
+CCCC[C@H](OC1=CC(=C(C=C1)Cl)N2CCN(C)CC2)C(F)(F)F,F27F516B04E633C3_C7F64D2B669B1976_6035_UN,8.114978,00000000000000000000000000000000000000000010000000000000000000100000000000010001000001110000010001101001001100011111101011100011110011110110001111011110110111101111110,JVGNKGXEVOXOTO-INIZCTEOSA-N
+FC2(F)CCCC(C=CC1=CC(=C(C)C=C1OC(F)F)C)C2,E84AD9ED183C914F_E18D5D1129FEB183_7019_UN,8.114968,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000010000000000010000001100001100001000000011110000100000000111010110100001001011110,WTISSVFAWHNYRA-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1OC2=CC=C([S](C)(=O)=O)C(=C2)C#N)C3,A7DCBD6E20850790_E2AF10A024F5EE82_6003_DP,8.114777,00000000000000000000000000000000000000000100000000010001001111001001000001000000011000101001010000101110110000011100001001001111111000001110001111111011110001111111110,BGTRWTTZEOOECD-UHFFFAOYSA-N
+CC3(C)CC1=C(C(=CC(=C1)CC#N)NCCC2CNC2)O3,1FE37750B6B0871D_398D953B935AAE40_6041_DP,8.11471,00000000100100000000000000000000000000000100000000000000010000000010000000100000001100100011000110001100110000011101001011000000110111010110001010010101110111101111110,QLWKXBRIQSXYMS-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=CC1=C(CCNC1)C=C2)CCOCC3,25607E075C8F71CD_423BDC74B43E37BE_6035_DP,8.11444,00000000000000000000000000000000000000000010000000000000010000000010000000000000001010100101000001101100110101011100001011000011110110100110001111010001110101110111110,SWYYOBSDTISTRU-UHFFFAOYSA-N
+NCC[C@@H](OC1=CC=C(C=C1)C2NCCC2)COCC3=CC=CC=C3,C82FE09446DB5EA3_F82E987AFA612CE3_6035_UN,8.114222,00000000000000000000000000000000000000000000000000000000000000100000000010000000001110100011000011001000100001010100001001000111110110000110001101010001110111110111110,KPQFHLKWYXHBBA-VQCQRNETSA-N
+COC1=CC(=C(C=C1)OC)NC3=C2C=CC(=CC2=CC=N3)[N](=O)=O,03FA53F3DF3F088D_C533F6F44AB2F087_7022_UN,8.113937,00000000000000000000000010000000000000100000000001000000100000010100001100000100000000000000011101100110010000000100000101101111001001010100101111101111100011111111110,IYQCFGCOZMAMOD-UHFFFAOYSA-N
+CSC1=C(C=CC(=C1)N[S](C2=C(C=C(OC)C=C2)C#N)(=O)=O)Cl,CB4258C62BDA85DC_1D1499DA26226278_6029_UN,8.113829,00000000000000000000000000000000110000000100000000010001001111001001010001000000010000011000011000000011001100001100010000001111001001111000001111101111100011111111110,CJISPWOUGHGJQC-UHFFFAOYSA-N
+C1(=CC=C(C=C1)SCCN=C=S)NC3=CC2=C(C=C(N(C)C)C=C2)C=C3,7ABE5ADEFB63D087_BE1671FFBAE0AEBF_6041_UN,8.113796,00000000000000000000000000000000000000000000000100000000000100001000000001100010010001101000010000001100010000010000001100100100000001010010001001011101010110101111010,ZOAIJWPZQWQJDY-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)OC2CCNC23CCCC3,86A787A54CD2E6A7_994A00F3D78B46DC_7022_DP,8.113772,00000000000000000000100000000010000000000000000000000000000000000010000000100000001100100011010111001000110000011100001001000011110010000100010100011101110011101111110,GBYIIXCVOWKBAC-UHFFFAOYSA-N
+COC1=C(C(=C(C=C1)CC#N)NC3=C2C=CC=NC2=C(C=C3)[N](=O)=O)OC,F383B48F4D973071_5D35915308E9B971_6041_UN,8.113743,00000000000000000000000010000000000000000100000001000000100000010100001110000001100000000010011101100110010000010100000101101111001001010100101111101111100111111111110,LCUOYZXUKDDIOU-UHFFFAOYSA-N
+CC1=C(N(C(=N1)C2NCCC2)CC(C)(NCC3=CC=CC=C3)C(F)(F)F)C,F0D74ECE0EAFDFC7_C7EAC8945CB82E09_6034_UN,8.113421,00000000000000000000000000000000000000100010000000000000000000100110000000010101001101000011000010001000101110011001101011100100110100100110011010011111010110101111010,QSZMSJPUKBCFEB-UHFFFAOYSA-N
+O([C@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=COC5=C4C=C(C)C=C5,A0BBD6B77471A366_FF64244B136E1658_6035_UN,8.112169,00000000000000000000000000000000000000000010000000000000010000000010000010000000000100010100000010100100010100001100001010000111110010100100000111110000100001011011110,PHSJVCXXZUSKCA-FQEVSTJZSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCCC3=CC4=C(C=C3)COCC4,EC9AF80DDC4D182D_2B548BE062D323D2_7022_UN,8.111919,00000000000000000000001000000000000000000110000000000000010000100010000000000000001000110000000000101100110101011000001000000100110011110110001011010011010111100111110,WNEITXXWLTZSKW-UHFFFAOYSA-N
+NCC(OC1=C2C(=NC=C1Br)CCNC2)CN4CCC3=C(C=CC=C3)C4,6DEC038F51A8ECBB_FE3F6255C369567A_6035_UN,8.11191,00000000000000000000000000000000000000000000001000000000000000000100000000010000101011110011000101101100110100010100001011100111110110100110001111011011110111100111110,FZBJNPDCIJAORN-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)[NH]C=C2)CC(NCC3=CC=C([S](C)(=O)=O)C=C3)=O,F300025CA4E3A285_D8642C268364F473_6039_UN,8.111725,00000000000000000000000000000000000000000000000000010001001111001101000011000000011100001000110110001110110001111100010001001111011110001110101101101001111111111111110,TVJXBMZZDZQNMT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OCCCCSC#N)NC2=C(C=C(OC)C=C2)[S](=O)(=O)C,CDEDF3C7E7E40F83_001F521FE7641D5D_6041_UN,8.111715,00000000000000000000000000000000000000000100000100010001001111001001000001000000010000001000010001000010000001001100001000001111011011011010101111111111110111111111110,AQZWAKSVAXYLJT-UHFFFAOYSA-N
+O(CCCCN1CCOCC1)CC(OC)CC2=CC=C(C=C2)F,CE04D796B5C78D90_71C9432FB57FC1AD_6039_UN,8.1116905,00000000000000000000000000000000000000000010000000000000010000000000000010010000000001110000010100101000000101010000101011100010110010100110000001111000110101111111110,HMNMEPIILHQNOG-UHFFFAOYSA-N
+COC1=CC=C(C=C1)C4C(COC2=C(C=NC3=C2C=C(C)C=C3)C#N)CCCN4C,C9C008188F1A687B_3BC5603A273F266C_6035_UN,8.111679,00000000000000000000000000000000000000000100000000000000000000100100000000010000100001100000010001101100010011010101101011100111110000000110011111011110110111111111110,FSARWNBHAZYPPJ-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NC2=CC=CC3=C2CNCC3)F,F91F612FAA95DEC6_65504F9614FDC5E4_6041_DP,8.111474,00000000000000000000000000000000000000000010000000000100000000000000000000100000101001110011010000101100110100010001001001100100110101110110001011011111010110101111010,RNELVUWVUYUBIA-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2CCN)CC3(N)CCC(F)(F)CC3,69CBA7841AA4DB9A_829CD4E1C0A33BB7_6034_UN,8.111162,00000000000000000000000000000000000000000010000000000000000000000110000000010001001111010010010010001100110100011100001001100111110101100110001101011001110111101111110,ISENHUWGDAVNQZ-UHFFFAOYSA-N
+CN(CC1=NN=C(C=C1)NC2CCN(CC2C)C)C3CNC3,75D9820E0BC40F28_374EF629FA71C261_6041_DP,8.1109705,00000000100100000000000000000000000000100000000000001000000000000100000000010101101001100011011000101000100010010001101011101000110101010110011001011111010110101111010,LDTUCWXPNFIBEL-UHFFFAOYSA-N
+O([C@@H]2CCN(CC1=CC=CC=C1)C2)CCC3(CC3)C#N,717BB15C41B0C25F_0D7EDD5ECF9C4816_6039_UN,8.110802,00000000000000000000001000000000000000000100000000000000000000000010000000010000000101100000000111001000000001011000001001100011110010000110001100011000110101100111110,YLCLSWTZSXBCAU-MRXNPFEDSA-N
+C[Si](C)(C)C1=C(C=CC=C1)NCC(C2=CC=C(OC)C=C2)N3CCCC3,8887431164C21750_5F3E21F3C90C2109_6041_UN,8.110175,00000000000000000000100000000010000000000000000000000000000000000000000000110001001101100001010010001000000000011100001001100111110001010110011111011111110111101111110,UWDPLXCRICYCNK-UHFFFAOYSA-N
+N1CCOC(C1)C(C)(C)OCC2=CC=CC(=C2)CCCOC,DC5EEC255FE80E94_5C4424B6D70A2E34_6039_DP,8.110015,00000000000000000000000000000000000000000000000000000000010000000010000010100000001000100001010101101000100011011001101011000010110010000110010001110101110101111111110,NANLBCIIFPGHHS-UHFFFAOYSA-N
+CC1=CC(=C(S1)[Si](C)(C)C)NCCC2=CC3=C(C=C2)OCC3,778AFEAFB98F14C2_F12AB1DCAE482520_6041_UN,8.109222,00000000000000000000100000000010000010000000000000000000010000000000000000100000011100101000010010001100110001011100001010000100100011010110010010011111110111101111110,OZKOESNHLFWVOC-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)CC#N)NC3C2CCCNC2C3(C)C,E14F79E4B757D620_BF1641D147562548_6041_DP,8.109001,00000000000100000000000000000000000000000100000000000100000000000010000000100000101000000011000000101100110010011000001001000000100101010100011011010111010110101111010,QQTDVSHOUNEJFP-UHFFFAOYSA-N
+COC1=CC3=C(C=C1)C=C(CC(=O)OCC2=CC=C(N(C)C)C=C2)C=C3,F9C80A908E6ECAAA_B82DFE4459E2042B_6031_UN,8.108913,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001100000010000000100010001000100000000110111010011010000010101101100111111111111110,DXMRPRNWXQCTCV-UHFFFAOYSA-N
+NCC(F)(F)C3(OC2=CC1=C(CCNCC1)C=C2)CCOCC3,8CF31A1459A8176B_DD7782910AED1CA0_6035_DP,8.108716,00000000000000000001000000000000000000000010000000000000010000000010000000000000001010100101000001101100110101011100001011000011110110100110001111010001110101110111110,KMNJTSZKOCNLLR-UHFFFAOYSA-N
+C2(=C1OCCOC1=CC=C2)NCC3=CC(=C(C=C3)F)CN(C)C,11AD3608A07961AF_C88812C009D8B3EE_7022_UN,8.108402,00000000000000000000000000000000000000000010000000000000010000000000000010100000001001110001010101101100010101000101001010100100100011110110001011011111110111111111110,IIZIKFHHCBLAPQ-UHFFFAOYSA-N
+COC(=O)COC1=CC2=C(C=C1)C=C(C=C2)NC3=C(CC)C=CC(=C3)[N](=O)=O,6996023051FC88F7_B970B16DFC29883B_6041_UN,8.108343,00000000000000000000000010000000000000000000000001000000100000010000001110000000100000000010011000000110010001000110100100111111001011011000101111101111111111111111110,BHWUUDDXFCAOLX-UHFFFAOYSA-N
+ClC1=C(C(=CC=C1)[S](=O)(=O)NC3=CN=C(OC2=CC=CC(=C2)CC)C=C3)C#N,AA0827418F6C1D9B_7498AADB3E65C31C_6026_UN,8.108209,00000000000000000000000000000000110000000100000000010001001111001101010001000001010000011000101000100011001100101110010001001111001001111100001111101011100111111111110,ZRUQOUPNKUWXST-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)[S](=O)(=O)NC3=CN=C(OC2=CC=CC(=C2)CC)C=C3)C#N,BB1F216938CAFC6A_72B5A239615CA7B1_6026_UN,8.108204,00000000000000000000000000000000110000000110000000010001001111001101010001000001010000011000101000100010001100101110010001001111001001111100001111101011100111111111110,YFORBCKHMCRHMX-UHFFFAOYSA-N
+N(C1=C(C=CC=C1)C2CC2)[S](C3=C(C=C(OCOC)C=C3)C#N)(=O)=O,1274CE4491A1ED8B_2603226E6845981F_6029_UN,8.108071,00000000000000000000001000001000110000000100000000010001001111101001010001000000010000101001011000000010001001001101010000011111001001011000101111111011110111111111110,BFSIKHSKAOMTLV-UHFFFAOYSA-N
+C1(=CC=C(O1)C2CC2)NCCN(CC3=CC=C(OC)C=C3)C,EA19FD75A48404FB_36F3B6533856FC8F_7022_UN,8.108064,00000000000000000000001000000000000000000000000000000000010000100000000000000001001101100001110010001000100000110101111000100111010001010110001100011101110111111111110,RGENVZOPAHLWRO-UHFFFAOYSA-N
+FC2=C1C=CC=C(C1=CC=C2)NCCOC3=CC=C([S](C)(=O)=O)C=C3,EFBEED0AF6CEBE26_180B2403FF67933A_6041_UN,8.107688,00000000000000000000000000000000000000000010000000010001001111001001000001000000011000011000010100001110110101011100001000001111001011111010000101111001110111111111110,WGHDIQYOMUQRHH-UHFFFAOYSA-N
+O(CC1=CC(=NC=C1)C#N)CC2=CN=CC(=C2)C(C)(C)C,6649CD4D0CA16B26_6B35350C65846514_6039_UN,8.107441,00000000000000000000000000000000000000000100000000000000000000000110000000100001000000100000000001100000000001001000000011000110000000000110011001000100010111001111110,MFRRIKQVVNXVFJ-UHFFFAOYSA-N
+NCC1=CN(C2=C1C=C(C=C2)F)CC(C)(C)C3CCCN3,EB07C161F59C1070_19B9063C384592D9_6034_UN,8.107313,00000000000000000000000000000000000000000010000000000000000000000110000000110000101111010011000010001100110110011001101011100100110100100110001000011101010110101111010,OQBNBGSVAQSSTP-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CCNC3)CC(C)(C)CC#N,AFE77C8C3BE36A33_9F1B87F85924193D_6034_UN,8.10691,00000000000000000000000000000000000000000110000000000000000000000110000000110001001101110001000010101100110100011001001011100100110000100110001011011101010110101111010,GRSQNDLGYBEXGN-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CCNC3)CC(C)(C)CC#N,4A27145E082FEB99_B07EEB6FBEC45901_6034_UN,8.106898,00000000000000000000000000000000000000000100001000000000000000000110000000110001001101110001000010101100110100011001001011100100110000100110001011011101010110101111010,TXXXFAXZXXELAG-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1)NCC2=NC=C(N(C)C)C=C2)C#N,58117A711B91D03F_11FA7139D3E04883_6041_UN,8.1063385,00000000000000000000000000001000000000000100000000000000000000000100000000100001001001100000010001101000000001010101000001110111000001010110011111001111110111111111110,GNWMRKKWTLEXGU-UHFFFAOYSA-N
+O(C(=O)CC1=CC2=C(C=C1)C=NC=C2)CC3=C(N(C)C)C=C(C=C3)Br,C417B205AABE1399_A68BAC1E4A6F00B6_6031_UN,8.1060705,00000000000000000000000000000000000000000000001000000000000000000100000000100000000001110000010001100100010111000000000001110110010011110100001011001110011111111111110,ZKYZFQLGTGOOPB-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=C(C=CC=N1)NCC3CC2CC2CC3,AE275FE4FA0D8FFB_403D4D2447FC6E23_6041_UN,8.1060295,00000000000000000101101000000010000000000000000000000000000000000100000000100001001000100011010000101000010000001000001001000000110001010100011011011111010110101111010,UMALQNJKLUXNOK-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)OCCOC2=CC=C([S](Cl)(=O)=O)C=C2)C3,4ED74AF0E01F2203_0B6C51843ED7A653_6039_DP,8.106004,00000000000000000000000000000001000000000000000000010001001111001001000011000000011000101001000000101111111101011100001001001111111010101110100111111001110101110111110,HWQGBFMTBONBNY-UHFFFAOYSA-N
+CC(OC1=C2C(=CC=C1)CNCC2)CN3CCOCC3,1418663B79145583_614CBB7FBF5DEF79_6035_UN,8.105987,00000000000000000000000000000000000000000000000000000000010000000000000000010000001001100001000100101100110011010101001011100011110010000110001111011001110101111111110,HHJWDMUXBCJREP-UHFFFAOYSA-N
+C[C@]2(COCC1=CC(=C(F)C=C1)F)COC[C@H]3CCCN23,BBA5254E6B955B2C_92A098F3E47AE2C4_6039_UN,8.105847,00000000000000000000000000000000000000000010000000000000010000000010000000000000000101110100000110101100010111011001101011100010110000100110000011011010010111111111110,MRJXUVZUHRQJKL-CJNGLKHVSA-N
+O(C1CCN(CC#N)CC1)CCCC2=CC=CC(=C2)C(F)(F)F,4960993B18D9A52B_CA6AAC7DBAEF2608_6039_UN,8.105838,00000000000000000000000000000000000000000110000000000000000000000000000000010001000001100000000001101000001101011000001001100011110010100110001101011000110101100111110,PPKTWPSPDMEXNJ-UHFFFAOYSA-N
+COC2CC(OC1=CC=C(C(F)(F)F)C(=C1)C(F)(F)F)C23CCC3,29FF434676080F59_A3459011E16679AB_6003_UN,8.105514,00000000000100000000000000000000000000000010000000000000000000000010000000000000000000000100010000000000011110001100101000000011110010100000000110010010100001011011110,VDFZGCWGFBISBJ-UHFFFAOYSA-N
+[NH]1C=CC2=C1C=C(C=C2)[S](=O)(=O)NCCOC3=CC(=CC(=C3)OC)OC,B9E3A5E399D4E5D0_B094BC0A3E6A56F2_6026_DP,8.1053505,00000000000000000000000000000000110000000000000000010001001111001101010001000000011100001100011110001110111001011100011001001111001110001110101101111101110111111111110,XJPRBINVOQJMTN-UHFFFAOYSA-N
+CC(C)(C)N3CCC(OCC1=CC2=C(C=C1)COCC2)C3,111D567F2359083D_49C368B794B5F79F_6039_UN,8.105247,00000000000000000000000000000000000000000000000000000000010000000010000000110000000101100000000111101100010011011000101011100011110010000110010111011100110111111111110,NWSJMHZEUKIOCG-UHFFFAOYSA-N
+CC4(C)COC3(C[C@@H]2CC(OC1=C(C=C(C(C)(C)C)C=C1)Br)C[C@@H]2C3)OC4,A73343A3787C921C_9F42312E1E112337_6035_UN,8.105188,00000000000000000000000000000000000000000000001000000000010000000010000000100000000000010100000010100100010101001101000010010011110010100110010111100110110001011011110,PVNNSIXDNLNPEO-BYICEURKSA-N
+CC4(C)COC3(C[C@@H]2CC(OC1=C(C=C(C(C)(C)C)C=C1)I)C[C@@H]2C3)OC4,1E72BBF71DFE3F2C_3C87407E5E0B1F2E_6035_UN,8.105184,00000000000000000000000000010000000000000000000000000000010000000010000000100000000000010100000010100100010101001101000010010011110010100110010111100110110001011011110,JXCJKQWLXSIVMG-BYICEURKSA-N
+C[Si](C)(C)C1=CC(=CC=C1)NCCCOC3CCN(CC2=CC=CC=C2)CC3,1227D6640A1E3313_509E8C12A1EA4BDE_7022_UN,8.104963,00000000000000000000100000000010000000000000000000000000000000000000000000110000001001100010010001101000100001011000001001100111110011010110011101011101110111101111110,RUNMTOLIPYMGTM-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCC3)C(=CC#N)C(F)F,37173931A15C9D26_57521619B7BCFB6F_6034_UN,8.104658,00000000000000000000000000000000000000000110010000000000000000000100000000011000101101110001000010111100110100010000001011100100110000100110001011011001010010100111010,VVAXFCKSUMOXND-UHFFFAOYSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CNCC3)C(=CC#N)C(F)F,E40D33217447E5B9_B9ED4CCE4B2F2AC9_6034_UN,8.104657,00000000000000000000000000000000000000000110011000000000000000000100000000011000101101110001000010111100110100010000001011100100110000100110001011011001010010100111010,GWYOTINHNDTUIY-UHFFFAOYSA-N
+ClC1=CC2=C(C=C1)N(C3=C2CNCC3)C(=CC#N)C(F)F,AFF265FFFCCD8EE9_4AF2197AAD7C0347_6034_UN,8.104645,00000000000000000000000000000000000000000110010000000000000000000100000000011000101101110001000010111101110100010000001011100100110000100110001011011001010010100111010,MDPCFQBJEJFHQH-UHFFFAOYSA-N
+OC(=O)C1=C[NH]C2=C1C=CC=C2N[CH]4C[C]3(C[CH](N(C)C)C3)C4,A1A5A789E2647FCE_3DD578A8E57429BD_6041_UN,8.104185,00000000000100000000000000000000000000000000000000000110000000000110000000100001000101100001010011000100110000011000100001110100100101010101001000001101001011111111110,BEGLILBAYZVLPB-UHFFFAOYSA-N
+COC2(COCC#CC1=CC=C(OC(F)(F)F)C=C1)CCC2,64E8C58A3D32F3F5_EE6677BA58D877FE_6039_UN,8.104137,00000000000100000100000000000000000000000010000000000000000000000010000010000000000000100000010000000000001111001100101000000011110010100010000100110000110101011011110,OQAWTUVIFGKKFQ-UHFFFAOYSA-N
+CC2(C)CN(CC1=CC=CC=C1)CCC2OCC4CCC3(CCNCC3)CO4,56F1A8746717D0DA_4D05B87AF015276C_6039_DP,8.103773,00000000000000000000000000000000000000000000000000000000010000000010000010110000001001100001000001101000110011011001101011100011110010000110001101011111110101111111110,DKIFZKWOJAKAQS-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)CN[S](C2=C(C=CC(=C2)Cl)CBr)(=O)=O)OC,FD1E79209041838D_6A86C7135714FD11_6029_UN,8.1031885,00000000000000000000000000000000110000000010001000010001001111001001010011000000011000011001011000001011001100001100010000001111001000101010100111101111110111111111110,HATXMPQPQZLSJS-UHFFFAOYSA-N
+CC1(C)CNCCC1OC2=CC(=C(C=C2)CN3CCCC3)Cl,3F8116794EA756E5_8A303E0C2A0010A9_6035_UN,8.102485,00000000000000000000000000000000000000000000000000000000000000000010000000110000001101110001000011101001100110011101101011100011110010100110001111011111110101101111110,KAMCFZVZTLTQAZ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)N[S](C2=CC=CC(=C2F)C#N)(=O)=O,92952D454B2DDFE2_80965151B2A685A0_6029_UN,8.10248,00000000000000000000000000000000110000000110000000010001001111001001010001000000010000011000011101000010001100001100010000001111001001111000101111101111100011111111110,ZYJYUVZJLBOCJO-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)NCC3=CN=C(OC2=CC=C(OC)C=C2)C=C3)OC,197DA66AFFC1D063_4B5955C561888746_6041_UN,8.102186,00000000000000000000000000000000000000000000000000000000000000000100000010000000101000000000110001101000000010100100010001000111000001010100111111100111110111111111110,XQYRAHFUXVVGED-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)N[C@H]2CCCC3=C2C=C(OC(C)C)C=C3,E55C57915E5A65D1_13487D6697474BEF_6041_UN,8.102184,00000000000000000000100000000010000000000000000000000000000000000100000000100001000000100011010000100100110000011100001001000111100001010100011111011111100011101111110,KUVMGQFPRTTWLK-IBGZPJMESA-N
+FC1=C(C=C(C=C1)C(=O)C=C)NC3=CC2=C(CCNC2)C=C3,AAC6386DE33D7E0B_F60B9A8D4C06FC11_6041_DP,8.101812,00000000000000000000000000000000001000000010000000000000000000000000000000000000001000110001000000111100110100010000001001000100110101110110001011010011111010100111110,WOBBJPUJGBUFOJ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=N2)NCCC3=CC(=C(C=C3[N](=O)=O)OC)OC,78FB1EA745CB297D_D6563136B43C6E3F_6041_UN,8.101794,00000000000000000000000010000000000000000000000001000000100000010100001110000000101000000000011001101110110000010100001101101111001001010100101111111111110111111111110,MVTXNQQQAKYCLZ-UHFFFAOYSA-N
+FC2=CC(=C1CCCC1=C2)NCCC3=CC=C([Si](C)(C)C)C=C3,A0831D1CF22FB4A0_7DF2463F53F25D1B_6041_UN,8.101746,00000000000000000000100000000010000000000010000000000000000000000000000000100000001000110011010010001100110100011000001000000100110001110000010011011101010110101111010,AYEGKIMVMHFGCD-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C(=CC=C1)NC2CNCC2C#N)F,41F41EE09049054B_B0FCEA40F174C2E1_6041_DP,8.1016445,00000000000000000000000000000000000000000110000000000110000000000010000000100001101100110011000010001000100100011000000001000000010101110110001010000111010010101111010,SOUHORSMEAGNQI-UHFFFAOYSA-N
+CC(CCOCC2COC1(CCCCC1)O2)C3=C[NH]C4=C3C=CC=C4,539378AAF9FD69D6_E909DD14390D7FB1_6039_UN,8.101503,00000000000000000000000000000000000000000000000000000000010000000100000010000000000100100101000010000100010001001001101011010110110010000110000001110001110111011111110,BSVCAAXWCORDSU-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=CC1=CC=C2NCC3OCC4(CC3)CCC4,E1F13A82E27ECF5C_64C9BF5EB51ED1FA_6041_UN,8.099843,00000000000100000000000000000000000000000000000000000000010000000010000000100001001001100011010100101100010001001000001000100100110011010110001011011111110111101111110,IAQYJEVKTLEGAO-UHFFFAOYSA-N
+O(C(=O)C1=C(C=CC(=C1)Cl)NCCCC2=CC=CC=C2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,D0E05148128F2F69_CB1B79C135787FD7_6031_UN,8.099498,00000000000000000000000010000000000000000000000001000000100000010000001100100001001001110010011001001011100101010000001100111110001001111010101011111111011111111111110,YIWSTVQDRLJYLU-UHFFFAOYSA-N
+FC1(CC1)C2=CC=C(C=C2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=CC=C4,E70892E0668AD815_E8AB198235E659BD_6041_UN,8.09945,00000000000000000000001000000000000000000010000000000000000000100010000000010000101001110011010000101000000110011001101001100100110001110110001001011011010110101111010,HLBUQCCWJWUNQI-RXVVDRJESA-N
+C1(=CC(=C(C(=C1)F)F)F)NC2C(OCC)(OCC)C3=C(CC2)N=CC=C3,8A689F6CFF48F0EC_DF40FE295F6EF51C_7022_UN,8.099027,00000000000000000000000000000000000000000010000000000000000000000100000000000000000000010011000101100100110101011010001001010111100001110110001111010111110111111111110,RSGUFNMFNKFGJX-UHFFFAOYSA-N
+N(CCC1=CC=NS1)C(C2=CC=CC3=C2OCCN3C)=O,086EFA15A53413E6_D6C77D166BB83339_6038_UN,8.098833,00000000000000000000000000000000110010000000000000000000010000000101000000010000011101101100111111101100110001110101111011101100000010010110001011011001111111111111110,YVGGVPHVGJGLDN-UHFFFAOYSA-N
+N1CC(=CC(F)(F)C1)CCCNCC2=CC=CC(=C2)OC,0AB619C2760F13FC_DFBBE452F0559B90_6009_DP,8.098438,00000000000000000000000000000000000000000010000000100000000000000000000000001000001000110011010000111000100100011100001001000011110100100110001101010001110101101111110,BMHUIAGBLATIFD-UHFFFAOYSA-N
+C[C@@H]1CNCC[C@H]1OC3=C(CN2CCCC(N)C2)C=C(C=C3)Cl,0FFB7BFD609BBB07_FF6A12044F5F28D7_6035_DP,8.098368,00000000000000000000000000000000000000000000000000000000000000000000000000010001001011110011000001101001100110010101101011100011110111100110001111011011110111101111110,MPSBASYNSXTWON-BGJMICDISA-N
+COC3(C[C@@H]4CC(COC2=C1C=CC(=C(C1=NC=C2)F)F)C[C@H]34)OC,AEDD0709C2D41F32_295625A928FE8F41_6035_UN,8.09802,00000000000100000001000000000000000000000010000000000000000000000100000000000000000000010000010011100100010111001100100001010111110010100100000111100110110111011111110,YMTDXWYVCPENHC-WGIUUAEBSA-N
+COC3(C[C@@H]4CC(COC2=C1C=CC(=C(C1=NC=C2)F)Cl)C[C@H]34)OC,3BE605B82A2C0E34_334D56F86F211E69_6035_UN,8.097996,00000000000100000001000000000000000000000010000000000000000000000100000000000000000000010000010011100101010111001100100001010111110010100100000111100110110111011111110,POLTUMAJJPRUIX-WGIUUAEBSA-N
+CC1(C)OCC2=C1N=C(C(=C2)C#N)NC3=CC5=C(C=C3)OC4(CCCCC4)O5,13613DB9E1096C76_F373D3AB10E537DA_6041_UN,8.09785,00000000000000000000000000000000000000100100000000000000010000000110000010100100100100000000000111100100010011001100101011010100110011010100001011110111110011111111110,SRTBQPZIEGUGRN-UHFFFAOYSA-N
+CC1(C)[C@@H]4C[C@H]1C(=C)[C@@H](OC3=C2C=CC=C(C2=NC=C3)Cl)C4,3B259F7A4DFFFA3A_AF1BEC82F343FFE4_6035_UN,8.097769,00000000000100000000000000000000001000000000000000100000000000000110000000101000000000010000000001110101010100001100100001000111100010100100000101000110100011001111110,CSGXOIOJDPSJET-IFIJOSMWSA-N
+CC1(C)[C@@H]4C[C@H]1C(=C)[C@@H](OC3=C2C=CC=C(C2=NC=C3)F)C4,80EDFB170B5EDB87_01F3569292246443_6035_UN,8.09776,00000000000100000000000000000000001000000010000000100000000000000110000000101000000000010000000001110100010100001100100001000111100010100100000101000110100011001111110,ZGRANGVAMLKOEH-IFIJOSMWSA-N
+COC1=CC2=C(C=C1)N(C3=C2CCC3)C[C@H]4[C@@H](CNC4)C5=CC(=CC=C5)F,A81A9816958EB826_007B2D1F57A3222D_6034_UN,8.096657,00000000000000000000000000000000000000000010000000000000000000100100000000010000101101110011010010001100010100010100001011100111110000100110001111011011110111101111110,ZXVUJEBMGUHKOL-KKSFZXQISA-N
+CO[C@@H]1C[C@H](CNC1)OC2=CC(=C(C=C2N)C(F)(F)F)C,01EA4A36D57D51D3_B955DCD6CC202A12_6035_UN,8.096273,00000000000000000000000000000000000000000010000000000000000000000000000000000000001010100110010100101000001100001100100001000011100111110110001111000111110011111111110,PGIFHZNIEIKJSB-NXEZZACHSA-N
+N(CCOC1=CC2=C(C=C1)C=CC=C2)[S](C3=C(C=C(OC)C=C3)C#N)(=O)=O,22BC70259C8B2FDE_AA1CE6F515ABB0C3_6028_UN,8.096062,00000000000000000000000000000000110000000100000000010001001111001001010001000000011000001000011100001110111001011100011000001111001010001010101111111011110111111111110,BCIVHYJLEONQFC-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NCC2CC23CCC(F)(F)CC3)F,1EC4E406C8C52775_7C2D9E17D6B976AD_7022_UN,8.095388,00000000000000000000001000000000000000000010000000000000000000000010000000100000001001110011010000001000010100001001001000100000110001110010001011011111010110101111010,YRXXXZKDVZBBDN-UHFFFAOYSA-N
+C1(=CC(=NC=C1)C#N)NCCCN2CCC(N(C)C)CC2,29FFEE50064DD705_D5E189455F267C26_6041_UN,8.095254,00000000000000000000000000000000000000000100000000000000000000000100000000110001101001100010010000101000100010010000101011100000110001010110001001011101010110101111010,JUAKGFNEIOUGAG-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)N=C=O)NCCC2=CN=C(N(C)C)C=C2,ACCBED0FACEDC92F_AFA7F7FC8CD7AE96_6041_UN,8.094666,00000000000000000000000000000000000000100010000000000000000000000100000000100110001001110000010000101000100100110000011101100100000001110100001011011111011110101111110,MSTMWDMTUGUQOZ-UHFFFAOYSA-N
+CCC(C)(OCC1=CC(=NO1)C)C2=CC3=C(C=C2)CCCC3,81C3F37C0279C520_552E557D044AA2D2_6039_UN,8.094623,00000000000000000000000000000000000000000000000000000000010000000110000110000000000100000000001011000110010011001011101011001110110010000100010011010100110111011111110,JDHNUFVNDNKZON-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CF)NC3=CC=C(N2CCC(N(C)C)CC2)C=C3,FB16B5DF923AF992_56D6936572ABBD7D_7022_UN,8.09424,00000000000000000000000000000000000000000010000000000000000000100000000000110000100001100001010000101000000010010000101001100100110001110110001001011101010110101111010,YHEFXCSSGHCHDM-UHFFFAOYSA-N
+FC1=C(C=C(N=C1)CC#N)NCC2=CC(=C(OC)C=C2)[N](=O)=O,D72DEB428C533FDB_6CD6147F1D6E4EA6_6041_UN,8.093769,00000000000000000000000010000000000000000110000001000000100000010100001100000000101000010101011100101010000100010100000101101111001001110100001111101011110111111111110,RKGMYHJRJRVROQ-UHFFFAOYSA-N
+COC1(CCOCC1COC2=C(C=C(C(C)(C)C)C=C2)[N]3C=CC=N3)OC,B47962935091B1D3_A96445700B1BDBC6_6035_UN,8.093715,00000000000000000000000000000000000000000000000000001000010000100110000000110000100100100100011111100000000011001100101011111111110011010110111111111110110111111111110,MZPCAJSEJINWEZ-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)NCC(C2=CC=C(OC)C=C2)N3CCOCC3,286C2055E2E19E4B_74FAC947FB571D35_7022_UN,8.09291,00000000000000000000100000000010000000000000000000000000010000000000000000110001001001100001010100101000000001011100001011100111110011010110011101011101110111111111110,ZOLKVILQMDPROG-UHFFFAOYSA-N
+N(C1=CC(=CC=C1)N2CCOCC2)[S](C3=CN=CC(=C3)CCl)(=O)=O,B176C177B57D3777_9B57295CDB210FB5_6029_UN,8.092768,00000000000000000000000000000000110000000000000000010001011111101101010001010000110001101000001101101011001001011000011011101100111011111110001001111001010111110111110,MTIYDNMMDKGJLT-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC2=CC=NC=C2)NC3=CC(=C(C=C3)[S](=O)(=O)N(C)C)OC,C93316FAF9839011_87F0BF42ED82ED53_6041_UN,8.09261,00000000000000000000000000000000110000000000000000010001001111001101000001100000010000101100011001100010001000001100010001101111001001011100111111101111100011111111110,KOPXVILILRLHEE-UHFFFAOYSA-N
+C1(=NC=C(C=C1)COC2=CC=C(C=C2)CC#N)NCC(OCC)C,455997DB0EE868DF_538878A006253EE0_6041_UN,8.092253,00000000000000000000000000000000000000100100000000000000000000000100000000000100001000000001000101101000000011010111100001000111010011010110001101000101110111111111110,SUATZIYCTANDQB-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC(=CC=C2)F)C3=CC=C[N+](=C3)C,62A790F228D14CBF_24328609FDC5936C_6035_UN,8.091562,00000000000000000000000000000000000000000010000001000000000000100110000000010000001101110011010111101000100100011100001011100111010010100110001101011001110001101111110,DNBBCRRZFAPLMU-UHFFFAOYSA-N
+C1CC(CCN1)C3=CC2=C(C=CC=C2)N3CCC(CSC)N,EB88FAA2451FC16C_D488E2BCE32D876E_6034_UN,8.091294,00000000000000000000000000000000000000000000000000000000000000100100000000010000101111101011010010101100110010010001001011100100110100000110001011011011010110101111010,DFGHXHWSTFHZJI-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NCC2=CC(=CC=C2)COC3CCOCC3,73AB6F923FE112B8_CD41436D78F509C0_6041_UN,8.091178,00000000000000000000100000000010000000000000000000000000010000000000000000100000001000100110010000101000000001001001001000000111110011010110010111011111110111111111110,TUDPHKUICMJCFV-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2C[C@H]3NC[C@H](C)CC3)CC#N,C21862D18F8843FF_3EA3AF19B321792D_6034_UN,8.09084,00000000000000000000000000000000000000000100000000000000000000000100000000010001001101000011000010101100110000010001101011100100110000000110001001011101010110101111010,LZYMSAFBTPOTTM-ZBFHGGJFSA-N
+NCCC1=CN(C2=C1N=CC=C2)CC3(C)NCC(C3)(F)F,FDEDF186EC6EB8FB_B8946028A0137A84_6034_UN,8.090813,00000000000000000000000000000000000000000010000000000000000000000110000000010001101111010011000010101100110110011001101011100100110100100110001000011001010110101111010,OTZTUXPFYFQJTF-UHFFFAOYSA-N
+CSC1=C(C=C(C=C1F)COCCN2CC(C)CC(C2)C)F,501A6CB42DF71C5E_26D59DCEC16B88CF_6039_UN,8.090197,00000000000000000000000000000000000000000010000000000000000100001000000000010000010001111000010100101000000111010001001001100010110010100110010011011110010101101111110,ADCRSQPJESLVGW-UHFFFAOYSA-N
+CC(C)(F)C(C)(F)COC2=CC=C(C[C@@H]1COCCN1)C=C2,09AFBE4FFA719064_7A8BF63DC11AA1A1_6035_DP,8.08989,00000000000000000000000000000000000000000010000000000000010000000010000000100000001000100001000100101000100101011101101011000011110010100110010101010101110111111111110,QJHLTGBGJZEHGS-XPCCGILXSA-N
+CC(C)(N)C2=NC1=C(C=CC(=C1)Br)N2CCCNCC3=CC=NC=C3,21BC4EC6F0114B0C_3B02FEA5DD2A0CB4_6034_UN,8.089395,00000000000000000000000000000000000000100000001000000000000000000110000000110101101111110011000010101100110110011000001011100100110100100110001011011111010110101111010,LVWAGPIUTALHRD-UHFFFAOYSA-N
+CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NCC4CC3CCOCC3CC4,CC7F85DAC1AE056E_1371B03E5FC66FC7_6041_UN,8.089175,00000000000000000000000001000000000000100000000000000000010000100100000000110101101101100011010111101100011011010000101011100011110011010110011101011111110111111111110,QRUNIZHIXDRDAU-FUXMOHRGSA-N
+CC1=CC(=C(C=C1)NCCC2=CN=C(N(C)C)C=C2)N=C=O,4AA286A0AB687C51_E2392B4AD70D75A1_6041_UN,8.089167,00000000000000000000000000000000000000100000000000000000000000000100000000100111001001100000010000101000100000110000011101100100000001010100011011011111011110101111110,NFMVAQKCWYSGSZ-UHFFFAOYSA-N
+C2(=C1C(CC1=CC=C2)C#N)NCC3C(CCNC3)(C)C,520B4586A2CB7C62_EF09EC3AAFF6C7EF_6041_DP,8.08852,00000000000100000000000000000000000000000100000000000100000000000010000000100000101000100011000000101100110000011001101001000000110101010110001011010111010110101111010,CMGDZXUVHQDHIR-UHFFFAOYSA-N
+CC(C)(CC1=CC=C(C=C1)NCCC2CSCCN2)C#N,E801339FF26BC160_87A3F2D08A1F6B45_6041_DP,8.087778,00000000000000000000000000000000000010000100000000000100000000000010000000100000101000101011000000101000100000011001001011000000110101010110001001010101010110101111010,MRORBTZNZCKLIL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CC=C2C#N)NCC3(C)CCCOC3,3190D4B6C8731F0E_F14429AAE4EB1B52_6041_UN,8.087339,00000000000000000000000000000000000000000100000000000000010000000010000000000000001000100011000001101100010011001001101000000100110011010110001001010001010111101111110,BJYYZPOSSXSCTR-UHFFFAOYSA-N
+COC(=O)C1=C(N=C(C=C1)CC(C)C)NCCN2CCC(N(C)C)CC2,6C7B0EF552B595D4_C56C3C8F9A13B229_6041_UN,8.087126,00000000000000000000000000000000000000100000000000000000000000000100000000110101101001100001010001101000100010010001101011110010110001010110011011011111011111111111110,HKNYKJBOQJQQOW-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2Br)CC3(F)CNCC34COC4,DCD3D822C45BAD92_06B4D4D4AAA24A22_6034_UN,8.086606,00000000100100000000000000000000000000000010001000000000010000000110000000010000101101110011010011001100010101001100000011100111110000100110001100001001110111111111110,WXQRYEJTDYGLEV-UHFFFAOYSA-N
+C2(=C1OCOC1=CC(=C2)CC#N)NC[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,F1A2854CED2D607B_76723491F6C87D49_6041_DP,8.086165,00000000000000000000000000001000000000000110000000000100010000100000000010000000101100110011000111101100110101010100001011010100110101110110001011010011110111110111110,JJWCBHLRLKCUKZ-FUHWJXTLSA-N
+CCC(OC1=CC=C(C=C1)CN2CCNCC2)(CN)C3=CC=C(C=C3)Br,EEFD9BB267B82EB4_433310458B39219B_6035_UN,8.086028,00000000000000000000000000000000000000000000001000000000000000000010000000010001001011110011000100101000100100011110101011100111110110100110001101011001110101101111110,XMIJFTSDLIVPPK-UHFFFAOYSA-N
+CCC(OC1=CC=C(C=C1)CN2CCNCC2)(CN)C3=CC=C(C=C3)Cl,52F8C2E4C6BAAD8E_C7089718592B8DE7_6035_UN,8.086019,00000000000000000000000000000000000000000000000000000000000000000010000000010001001011110011000100101001100100011110101011100111110110100110001101011001110101101111110,REAPRWPDNKUPAX-UHFFFAOYSA-N
+O(C1=CC2=C(C=C1)OCC2)C(C4=CC3=C(N(C)C)C=CC=C3S4)=O,5F707FF135BC9CD8_275309F6EB18A8AF_6038_UN,8.085686,00000000000000000000000000000000000010000000000000000000010000000000000000100000010101101000010010000100010001000100001010110111000011010100000111111100111011111111110,RCXPLCRUCMGHLQ-UHFFFAOYSA-N
+CC(OC1=CC=CC2=C1NCCC2)CN3CCNC(C)C3,6C97FBED23773E88_9F47E610D1C4CBC8_6035_DP,8.085683,00000000000000000000000000000000000000000000000000000000000000000000000000010001001001100011000100101100110010010101101011100011110110010110001111011101110111101111110,OQIDHCKDZPJLFK-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CC2CCC2)NCC3=C(N(C)C)C=C(C=C3)C,67D396095A3B0CD5_4D38B545F0E95847_6041_UN,8.085634,00000000000100000000000000000000000000000000000000000000000000000000000000100000101001100001010000001000000010000000001000100100110001010000011011011111010110101111010,WXHGJXZMKBDESQ-UHFFFAOYSA-N
+CC(C)(COCCN(C)CC1=CC=C(C=C1)F)CN2CCCC2,892D155E169597AA_E26D9BCDCC5D7564_6039_UN,8.085233,00000000000000000000000000000000000000000010000000000000000000000010000000110000000101110000010111001000000111011001101001100010110010100110011000011100010101101111110,VEVSYCDSVQAXEL-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)OC3=C2N=CC=CC2=C(C=C3)[N](=O)=O)F,D57886E1651CA714_B333EDD1DC7BD2CB_7022_UN,8.084909,00000000000000000000000010000000000000000010000001000000100000010100001100100000100001110000011100101110010100000101000101101111001001110100001111101110110111111111110,MPTHDRCRLWNDKN-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)CC2=O)NCCC3=CN=C(N(C)C)C=C3,FA3CB222AD02C668_EEEC99424A5266CF_6041_UN,8.084858,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001100100010010101100110000010000001001100101000011011100001111011101111110111111110,WLXQTXPJUMIYGY-UHFFFAOYSA-N
+C1(=NC=C(C(=C1)C#N)OC2CC2)NC3=CC(=C(OC)C=C3)[N](=O)=O,7F8DA25885359140_435A215BE004B741_6041_UN,8.08461,00000000000000000000001010000000000000100100000001000000100000010100001100000100100000000100011101100010000000000100000101101111001011010100101111111011100011111111110,LUICAEJQWPZAKV-UHFFFAOYSA-N
+NCCC2=NC1=C(C=CC(=C1)Cl)N2CC3(CNCC3)C(F)(F)F,45E6A67158FFF0BA_9FC6302C51986412_6034_UN,8.084427,00000000000000000000000000000000000000100010000000000000000000000110000000010101101111110011000010001101111100011000001011100100110100100110001010011011010110100111010,ONJOBHPNUCFZAO-UHFFFAOYSA-N
+NCCC2=NC1=C(C=CC(=C1)F)N2CC3(CNCC3)C(F)(F)F,29AFCFA2E016CA22_0AF4DBCB00200764_6034_UN,8.084414,00000000000000000000000000000000000000100010000000000000000000000110000000010101101111110011000010001100111100011000001011100100110100100110001010011011010110100111010,IHAXVMBCHARSKP-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=CC(=C(C=C1)NCC2=NC=C(N(C)C)C=C2)F,DEBAF293C027CD03_715FE77870C0B91A_6041_UN,8.084347,00000000000000000000000000000000000000011010000010010001001011000101000001100001001001111000010000101010001101011000100001101110001001111110011011101111010111111111110,MLVWHDOUOOJTKW-UHFFFAOYSA-N
+CC1=C(C=CC(=N1)C#N)NCC2C(C)N(CCN2C)C,08EF557570207302_58B6C80ADC90C0C5_6041_UN,8.08398,00000000000000000000000000000000000000000100000000000000000000000100000000010001101001100001010000101000000010010001101011100000110001010110011011011111010110101111010,KLYXXLDJRNUQPU-UHFFFAOYSA-N
+C[C@@]2(COCC1=C(F)C=CC(=C1)C#N)COC[C@@H]3CCCN23,4A22B6301BBBF09D_9F72CB0DC324C1C1_6039_UN,8.083071,00000000000000000000000000000000000000000110000000000000010000000010000000000000000101110100000110101100010111011001101011100010110000100110001011011010010111111111110,HRIMVMZKKJSKJZ-DOTOQJQBSA-N
+CC1=C(C(=CC=C1)OC2(CCNC2)CC3=CC(=CC=C3)Cl)C,17B02A20E6E822B7_D75E402F30876500_7022_DP,8.0827265,00000000000000000000000000000000000000000000000000000000000000000010000000000000001100110011000111001001100100011100001001000111110010100110000111010111110101101111110,SFYHIDFCARKVMJ-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1Cl)F)CCCCC2,67A251F669E0F2DD_9C5E95F4A46FF583_6035_UN,8.082576,00000000000000000000000000000000000000000010000000000000000000000010000000100000000011110000010100001001000110001101001000100011110011110000001111011111110111101111110,BNIXJJJAUGRFLE-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1F)F)CCCCC2,0E601AF0C052FC5D_DB7787BBECAE0C13_6035_UN,8.082571,00000000000000000000000000000000000000000010000000000000000000000010000000100000000011110000010100001000000110001101001000100011110011110000001111011111110111101111110,DIDIGEIKDONSJN-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1Cl)Cl)CCCCC2,2BF97A409E856FCE_5658A40895A4FCF3_6035_UN,8.082567,00000000000000000000000000000000000000000000000000000000000000000010000000100000000011110000010100001001000110001101001000100011110011110000001111011111110111101111110,HQJMUXMRPISYTO-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1Br)Cl)CCCCC2,625CF7A220202437_FA8DA275780E74D8_6035_UN,8.082567,00000000000000000000000000000000000000000000001000000000000000000010000000100000000011110000010100001001000110001101001000100011110011110000001111011111110111101111110,JWVJETCFEXIMKC-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1F)Cl)CCCCC2,5B43AB41FE1DC768_7B6301A9B4019388_6035_UN,8.082561,00000000000000000000000000000000000000000010000000000000000000000010000000100000000011110000010100001001000110001101001000100011110011110000001111011111110111101111110,LHQSKYAOSXGEEZ-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1Cl)Br)CCCCC2,4822B337568CB08E_8B93C80DDBD47BAF_6035_UN,8.08256,00000000000000000000000000000000000000000000001000000000000000000010000000100000000011110000010100001001000110001101001000100011110011110000001111011111110111101111110,ALSWVKAOEKWSLW-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(N)C=C(C=C1Br)Br)CCCCC2,EE3CAF366F1E5EC1_9A5FE055313C5456_6035_UN,8.082559,00000000000000000000000000000000000000000000001000000000000000000010000000100000000011110000010100001000000110001101001000100011110011110000001111011111110111101111110,VWPLYFNSKBAYPY-UHFFFAOYSA-N
+O[C@H](CBr)C1=C(C=CC=C1)NCC(C)(C)N2CCCC2,7347FA68687B52C3_AA9D701919222996_6041_UN,8.081802,00000000000000000000000000000000000000000000001000000100000000000010000000110001001101100001000011001000100010011001101001100000110111110111001010011111110111101111110,LFELIJQMJHZWBE-OAHLLOKOSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)NC4CCC3(COC(C)(C3)C)CC4,5673CCABA114540A_7543875202C916BC_6041_UN,8.080286,00000000000000000000000000000000000000000100000000000000010000000110000000100001000100000010000010000100110011011001101011000100110111010100001001010101110011101111110,JRXIDQQKAVFHEO-UHFFFAOYSA-N
+N(C1=C(C=CC=C1)SC2CC2)[S](C3=C(C=C(OCOC)C=C3)C#N)(=O)=O,67A5763D058DDC51_59E6B915861EADA8_6029_UN,8.080192,00000000000000000000001000001000110000000100000000010001001111001001010001000000010000101000011000000010001001001101010000011111001001011000101111111011110111111111110,WVEWCKDCKWMGIX-UHFFFAOYSA-N
+C1(=NC=C(C=C1)COC2=CC=C(C=C2)CC#N)N[C@@H](CC)COC,1DFBCBFDB7E43B41_97D667B1FD9A0B87_6041_UN,8.0801525,00000000000000000000000000000000000000100100000000000000000000000100000000000100000000100000010101100000100011010111100001000111000001010110001101000101110111111111110,PJZUAOIQWPKHDK-KRWDZBQOSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)C[C@H]4[C@H](N(C)C)CCC4,B61E5D196D1B097C_B31D0D27C6261624_6034_UN,8.08003,00000000000000000000000000000000000000000000000000100000000000100100000000111000101101100001010010111100110010010010101011100100110001000110011001011111010110101111010,HYBYWEVZSAMVSR-SIKLNZKXSA-N
+CC1=CC=C(C=C1)C2(CNCC2)OC3=CC=C(C=C3)C4C(F)(F)C4(F)F,DEEA00A495DB3108_8E16906B22DC8024_6035_UN,8.07989,00000000000000000000001000000000000000000010000000000000000000100010000000000000001100110011000111001000100100011100001001000111010010100110000101010011110001101111110,AKCIFCIBRFVRHM-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NC2=CC=CC3=C2OCCC3N(C)C,F064B0A6200D5534_4FD717F4421C1258_7022_UN,8.079281,00000000000000000000000000000000000000000000000000000000010000000000000000100000000001101001010101100100010011010101101000100111000011010110011111011111110111111111110,CZAPZDHPAYUQIJ-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)C#N)NCC2CNC3(CO2)CCC3,26B2BA878CB915B5_64532CD42E9EC664_6041_DP,8.079259,00000000000100000000000000000000000000000100000000000100010000000010000000000000101000000011000100101000110011011000001011000000110111010110001011010011110111101111110,YGTCARZGYGGJOU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC2CCCC2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,9D93CDBEC13AC9B9_B27268B5B3EB1B32_6041_UN,8.078281,00000000000000000000000000000000000000000000000000001000000000100100000000010001101101100011011010101000000010010101101011101111110011010110001111011111110111101111110,SQMZMWJKCFBSOP-HTAPYJJXSA-N
+COC1=C(C(=CC(=C1)CNC(C2=CC(=C([S](N)(=O)=O)C=C2)F)=O)OC)OC,1EBB731199C30D53_987D5721ECFA663E_6038_UN,8.077842,00000000000000000000000000000000110000000010000000010001001111001001010011000000011010011100111000001010001100101100010000001111001100101000111111101111111111111111110,KSYRJVCAEGUYGF-UHFFFAOYSA-N
+CN(C)CC(F)(F)COC1=CC=C(C=C1)C2=CCNCC2,C14A86E0DF554B5F_66917C2EE4D69ADE_6035_UN,8.077451,00000000000000000000000000000000000000000010000000100000000000100000000000101000001001100001010001111000100111011101001001100011110000100110001101011101110101101111110,RSJOZAUBSURJQV-UHFFFAOYSA-N
+O=[N](=O)C1=CC(=C(N=C1)NCC3ON=C(C2=CC=C(OC)C=C2)C3)C#N,01D3A7D98BF97717_9F978BEA432A21FB_6041_UN,8.077417,00000000000000000000000010000000000000100100000001000000110000110100001100000111101100000010011111101010000000010100000111101111001011010100101111101011110111111111110,KSDJFJNSYAJQFK-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NC[C@@H]3CC(CN3)(C)C,4C42A96E93EF5F0D_6A379CE2CAE4CBB4_6041_DP,8.077188,00000000100100000000000000000000000000000000000000000010010000100010000010100001001100100011010010001000100011011001100011000011110111010110011100000101110111111111110,AHEHGZCTLQROMM-HNNXBMFYSA-N
+CN(C)C2CCC(OCC1=C(C(F)(F)F)C=CC=N1)C2,EBBA59D82F12CA92_E0B07FD0746A31F2_6039_UN,8.077034,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001100000010111100000001111011000101001100011110011100100001110011110110111101111110,WOTUGHPVIUATLO-UHFFFAOYSA-N
+N(CCC1CSC1)C(C3=CC2=C(C=C(N(C)C)C=C2)C=C3)=O,839B1181094B8A54_7FD9F6BA04BA7F3C_6038_UN,8.076754,00000000100100000000000000000000000010000000000000000000000000000000000000100000001001101001110000001100110000110000011000100100110001010110001001011101011110101111110,CJZSGXPEBLTQAM-UHFFFAOYSA-N
+CN4CCC1=C(C2=C([NH]1)C=CC(=C2)N[C@@H](CC)C3=CC(=C(C=C3)C)F)C4,5724B05E026140BF_56FB07559A84891E_6041_UN,8.076664,00000000000000000000000000000000000000000010000000000000000000000100000000010000100101110011010010101100110100010011101011100100110101110110011011011111010110101111010,BIJYMGUTWDYDKZ-FQEVSTJZSA-N
+CC1(C)NCCC1OC2=CC(=C(C=C2)CN3CCCC3)Cl,D2C90CB03DC8A628_3AB954814648C493_6035_UN,8.076476,00000000000000000000000000000000000000000000000000000000000000000010000000110000001101110011000111001001100110011100101011100011110010100110001110011111110111101111110,BFGMKBCJEVURHI-UHFFFAOYSA-N
+COC1=CC(=C(C(=C1)OC)CN[S](C2=C(C=CC(=C2)CO)Cl)(=O)=O)OC,5D737C942CD97633_A866D4D7FE54D4CE_6029_UN,8.075564,00000000000000000000000000000000110000000000000000010001001111001001010001000000011000011100011001001011001111001100010000001111001100101011110111101111110111111111110,AOPVVYHUOMCLOC-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(F)(F)F)O[C@@H]2C[C@H](N(C)C)CC2,2336A269D740A6D5_FDE7D39A7A3E7F13_7022_UN,8.075389,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001100000010011000000001110011100101000100011010011100000010110011110100011101111110,OJKVBWWGKXWETP-OLZOCXBDSA-N
+C1CNCC(C1)C3=NC2=C(C=CC=C2)N3CC4=C(N(C)C)C=C(C=C4)Br,A04EF91B9A681966_BAAA819CE8309636_6034_UN,8.075331,00000000000000000000000000000000000000100000001000000000000000100100000000110101101101110011010010101100110110010000001011100100110001110110001011011111010110101111010,HAUPIUVRBMHWDH-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C(=O)C)NCC2=C(N(CCOC)C)C=CC=C2,B7DDFA6A9059BB05_32652E07D977D20A_6041_UN,8.074706,00000000000000000000000000000000000000000000000000000000000000000000000000000000101001100000010101001000000011010101101000100111100011010010011111111111111111111111110,SKNKUJHSFLTTLX-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=C2)CSCC3)N[C@@H]4CCN(C)[C@H]4C5=CC=C(C=C5)F,3A6E0C668BEA7CE9_0C4DB319EEAEAE2E_6041_UN,8.074225,00000000000000000000000000000000000010000010000000000010000000100100000000010001100101111011010010101100110110010001101011100100110101110110001011011011010010101111010,FEBCGLFDFUOGAP-IRLDBZIGSA-N
+NCCC1=CC2=C(C=C1)N(C=C2)CC3CCNC34CCOCC4,6E1A6242211DD34D_59CD80966DA9F5C2_6034_UN,8.073934,00000000000000000000000000000000000000000000000000000000010000000110000000010000101111100011000011101100110001011000001011100100110110000110001001011001010111100111110,WUYOKWWZVYYRQN-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CC3(CCl)CN(C3)C4CC4)C5=CCNCC5,698487954EFD486D_BD5889B9E4313790_6034_UN,8.073595,00000000100100000000001000000000000000000000000000100000000000100110000000011000101101100001000010111101110000011000001011100100110001100110001001011001010110101111010,BTPSAOSEVCHZHN-UHFFFAOYSA-N
+FC1=NC2=C(C=C1)C=C(C=C2)NC34CC(OC3)CCC4,493CEE8DDF3E5B8F_7C7B75F0A1FFF304_6041_UN,8.072337,00000000000000000001000000000000000000000010000000000000010000000110000000000000000100010011000111100100110101011000001011000100110011110100001001010001110011100111110,WXVOECIYZWYVTR-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)NCCC2=C(C=C(C=C2F)Br)F,9811D13E4AACDEB6_A1985CE7E251B4D1_7022_UN,8.071926,00000000000000000000000000000000000000000010001000000000000000000000000000000000001000010000010101001000100100010100001000000111000001110000000111010111110111111111110,HNBWZBITJCGLLE-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C=C1)OC3=C2N=CC=CC2=CC=C3)N4CCC(C#N)CC4,81185FB4B624E000_614F9994E8AF6107_6026_UN,8.071627,00000000000000000000000000000000110000000100000000010001001111001101000001010000010000101000001100101110011000011100011011101111111000001110001101111000110011110111110,FIORTBUHIJOSNX-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)OCC(C)C(C)N(C)C,B377F33AEBDA5985_D227F90804FBB0F2_7022_UN,8.071577,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010001000000000111000101101000100011110010100010010101011100110111111111110,CLRBHEOCCHPEFL-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NCC2=C([S](N(C)C)(=O)=O)C=CC=C2)Cl,4D4E21C4E4248201_03926DF0DD96AE50_7022_UN,8.071562,00000000000000000000000000000000110000000000000000010001001111001001000001100000011000111001011000001011001101001001010000101110001001111010011011101111010111111111110,XNAZFKIJTBDFIL-UHFFFAOYSA-N
+CN(C)CC1(CNCCC1)OC2=CC=C(C=C2)CC3CCCNC3,8FD006B459066DA3_85BABF565B23EC81_6035_UN,8.071524,00000000000000000000000000000000000000000000000000000000000000000010000000100000101001100011010100101000100010011101001011100011110110000110001101011101110101101111110,AOAWFAKBTZMCTA-UHFFFAOYSA-N
+C(C1CCNCC1)C2=CN(C=N2)CC3=CC(=C(N(C)C)C=C3)F,4229D6318ADCCB30_1292F6973DA1F56D_6034_UN,8.071442,00000000000000000000000000000000000000000010000000000000000000000100000000110101001101110001010010101000100100010000001011100100110001110110001011011111010110101111010,QFBGYPBEWOGEHU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NCC4CCN(C)CC4,17A39B8658F389B7_3BD23C88CCB54A7C_6041_UN,8.071402,00000000000000000001000000000000000000000000000000000000010000000000000000010000001001100111010101101100010001010101101011100011110011010110001111111001110111111111110,AYZNRSJWFMCBJS-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2=O)NCCC3=CC=C(CN(C)C)C=C3,8BC7769D14D10D3D_F50F1C9F324F64DB_6041_UN,8.071115,00000000000000000000000000000000000000000000000000000000010000000000000010100000001101100100010010001100110001010101001000100101000011010110001111011101111111111111110,UKRJTARMQUJLCN-UHFFFAOYSA-N
+O[C@@H]2C[C@H](OCC1=C(C)C=C(C=C1)C(F)(F)F)C23CCOCC3,8BC0B8F0BADD8F9E_E7095286F537B55C_6039_DP,8.070926,00000000000100000000000000000000000000000010000000000000010000000010000000000000000000100111000000100000111101001000101000000011110010100111000111110010110101011011110,ZFKJEALTVLOTHH-CABCVRRESA-N
+N3CCC(CN2CCC(OCC1=CC=CC(=C1)C(C)C)CC2)CC3,D34D39818248A183_C886C5A9D42A7668_6039_DP,8.070757,00000000000000000000000000000000000000000000000000000000000000000000000000110000001001100001000001101000100001010000001011100011110010000110001101011101110101101111110,GUOVCRPNJGOEEH-UHFFFAOYSA-N
+C(C1(CC#N)CC1)=CC3=CC=C(OC2=CC=C(F)C=C2)C=C3,EEE6A3E30A868A78_7362FA8619B328A8_7019_UN,8.070659,00000000000000000000001000000000000000000110000000000000000000000010000000000000000000010000000000010000000100011100000000000111010000100000000101010000100101000111110,PYMTYSANVDPGSC-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=C[NH]2)CC#N)NC3CNCC34CCOCC4,D936288380034587_643FF9E00E38830D_6041_DP,8.070452,00000000000000000000000000000000000000000100000000000110010000000110000000000001101100100011000010101100110001011000001011000100110111010110001001010001010111100111110,GEVCGLVUDYUPTK-UHFFFAOYSA-N
+CC1=C(C4=C(N1CC(C)(N2CCNCC2)C3=CC=C(C=C3)Br)C=CC=C4)Br,764CE29F6CBFACA7_3143A25CAFE20431_6034_UN,8.070118,00000000000000000000000000000000000000000000001000000000000000000110000000010001001101110001000010101100110110011001101011100100110000100110001011011111010110101111010,KSKYORMLMHYREX-UHFFFAOYSA-N
+CC1=NN=C(O1)[C@H]4C[C@@H](OC2=C(C=C(C=C2)CN3CCNCC3)Cl)CN4,89ADD7F2C3D9BBE3_9D05776F3D2C2083_6035_UN,8.069766,00000000000000000000000000000000000000000000000000001000010000100100000000010001101101110011101111101001100100110100011011101111110110100110001111011011110111111111110,QMCFZNJIMIYJFA-GDBMZVCRSA-N
+COC1=C(C=C(C=C1)NCC2(CCOCC2)C3=CC4=C(C=C3)OCO4)N(C)C,937E616D2A11CD49_B8C991FF2D15D903_6041_UN,8.069679,00000000000000000000000000001000000000000000000000000000010000100010000010100000101101100011010110101100010001001100001010110111110011010110111111111111110111111111110,DIPBYMMJRJPQNX-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)NCC3(OCC)CCOCC3,BE06DE71C72AED54_0B724CB3DE1E3F9F_7022_UN,8.068692,00000000000000000000000000000000000000000000000000000000010000100010000000000000001000110111000100101001000111001010001000000111110011110110000101010001110111111111110,ZSHMNCSKQSZQKH-UHFFFAOYSA-N
+C[C@@]3(COCC1=C(F)C=CC2=C1N=CC=C2)COC[C@@H]4CCCN34,81B8B67D1E37DDD7_E2AA0C8D59B067F3_6039_UN,8.068406,00000000000000000000000000000000000000000010000000000000010000000110000000000000000101110100000111101100010111011001101011100110110000100110001011011010010111111111110,RGNGVVRDNLKKHD-KXBFYZLASA-N
+CC1=NC2=C(C=C1)C=CC(=C2F)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,CE47565B187A5561_6A98F7C373B90600_6041_UN,8.068127,00000000000000000000000000000000000000000010000000000000010000100100000000010000101001110001010100101100010111010001101011100100110011110110001011011111110111101111110,DNDHWXKXIAPSMN-UGKGYDQZSA-N
+C1(=CC2=C(C=C1)[NH]C3=C2CCCCCC3)NC[C@@H]4OCCN(CC)[C@H]4C5=CC=N[N]5C,BF70663970003731_59A1D9B19A809FB8_6041_UN,8.068007,00000000000000000000000000000000000000000000000000001000010000100100000000010001101101100011011111101100110011010010101011101100110111010110001011011111110111101111110,FPJCPFXSXHFTCE-DQEYMECFSA-N
+C1(=CC=C(O1)C(F)(F)F)NCC(OCC)(OCC)C2=NC=CC=C2,0FBDF8788C58BF02_0501235C25B26678_7022_UN,8.067743,00000000000000000000000000000000000000000010000000000000010000000100000000000000101100000001100110101000001111101010010011010110110011110110001000100101110111111111110,VGBKXPFGXXXIGA-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)COCCCC2=CC=C(C=C2)[S](=O)(=O)Cl)C3,0D399A5541ED1C69_B6BFFC03D3714881_6039_DP,8.067688,00000000000000000000000000000001000000000000000000010001001111001001000001000000011000101001000000101111111101011000001001001110111010101110000011111001010101110111110,ZCANKCWOYNOTJA-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2=O)NCC3=C(CN(C)C)C=CC=C3,7533135DA637CB4C_9EFE3281A75F4D24_6041_UN,8.067582,00000000000000000000000000000000000000000000000000000000010000000000000010100000001101100101010010001100010001000101000000100101010011010110001111001111111111111111110,HCBMYUVXTFLCOP-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NCC3(CN2CCOCC2)CCCCC3,1B2506CF167C79B7_036AA54E5E4CB3E7_6041_UN,8.067505,00000000000000000000100000000010000000000000000000000000010000000010000000110000101001100011010100101000000001011001001011100000110011010110011011011111010111101111110,PMJHEGWFLFBPDX-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C(=CC(=N2)NCC3(N(C)C)CC3)C4=CC=CC=C4,BDAE8E86ED528D01_00D647156FCC549D_6041_UN,8.067102,00000000000000000000001000000000000000100000000000000000000000100110000000100101001001100011010001101100010000011100100001100111010001010100011101011101110111101111110,KQYHTESNZDFGAK-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC=C(C=C1)NC2=CC4=C(C=C2)OC3(CCCC3)O4,F0B76E3EC57116B1_C088F0D786762777_7022_UN,8.067021,00000000000000000000100000000010000000000000000000000000010000000000000010100000000100100000010011000100010000001100001010010100010011010100010011011101100011111111110,GICQWSRMWBDTTC-UHFFFAOYSA-N
+C(C[C@]12C[C@H]1CCC2)=CC3=CC=CC(=C3F)OC(F)F,7388F2D1780F3295_1F4EE990BDDE055E_7019_UN,8.066988,00000000000000000000001000000000000000000010000000000000000000000010000000000000000000010000000010010000011100001100001000000011110000100000000111010010100101000011110,KNFPSBJQBRDRCH-WBMJQRKESA-N
+NC[C@H](OC1=N[N](C)C2=C1CCNC2)C3=CC4=C(C=C3)OCCO4,C3AAD00BF8652454_A6BBF04BCA933845_6035_UN,8.066932,00000000000000000000000000000000000000000000000000001000010000000100000010010001101110100001111111101100110011110100111011101111110110000110001111111001110111111111110,QTLXDFCNDNQEAE-INIZCTEOSA-N
+C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)NC(CC)(C)C4=CC=C(C=C4)F,53A870DC6C6A3CC1_D3669132ED2D0187_6041_UN,8.066902,00000000000000000000000000000000000000100010000000000000010000100110000000010100100001110000000100101100110101011011001011100100110011110110001001011101010111101111110,VNHHLHAFVWCXAH-UHFFFAOYSA-N
+O(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br)CC3N(C)CCNC3,A9E4486BFF2A14CF_F0FECC5C80B9B244_6031_UN,8.066813,00000000000000000000000000000000000000000000001000000000000000100000000000010001001001110011010101101000100101010001101011110110110000100110001001011011011111111111110,BFIYXCCQDKTTRF-UHFFFAOYSA-N
+O(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)F)CC3N(C)CCNC3,585E220532209996_0427A722282D4A38_6031_UN,8.066758,00000000000000000000000000000000000000000010000000000000000000100000000000010001001001110011010101101000100101010001101011110110110000100110001001011011011111111111110,RWHZCWJJJPOKNU-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NC2=CC3=C(C=C2)CCOC3,7D95B413E60C852B_2DFEB34379DC2971_6041_UN,8.066694,00000000000000000000100000000010000000000000000000000000010000000100000000100001000000100001010000100100010001001000001011000100110011010110011011011111010011101111110,XOGBAHJJYRNLMM-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC3=CC2=C(CCN(C)C2)C=C3F,747835D53EB1F99A_099F40085EB52F16_6035_UN,8.066446,00000000000000000000000000000000000000000010000000000000000000000010000000110000001001110001010101101100110110011101101011100011110010100110011111011111110101101111110,MVBNHBGJRVWYOT-UHFFFAOYSA-N
+CC(C)C1=CC2=C(C=C1)OCC[C@H]2OCC4CCC3(CNC3)O4,BA09BE98DBA69CAA_FBEEB6C4B0FF1D54_6039_DP,8.066236,00000000100100000000000000000000000000000000000000000000010000000010000010100000001100100111000110101100010001001100001011000011110010000110000111110101110101111111110,QNXDEHREXZMSNO-KPMSDPLLSA-N
+C[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)NCCC2=NC(=CS2)C3=CC=C(OC)C=C3,443B1971E452B76F_744944AF50FD90FE_6041_UN,8.066073,00000000000000000000000010000000000010000000000101010001101111111101001101000000111100001000011011001010100000011100001111101111001001011100101111111111110111111111110,GZCLQLKEEUNTSF-UHFFFAOYSA-N
+CC(C)(C)C1=CC=C(C=C1)C3CCCC(OCCC2CCCNCC2)C3,D2796DC28AFFD5D6_FFE197FADB086935_6039_DP,8.065485,00000000000000000001000000000000000000000000000000000000000000100010000000100000001000100011000000001000100001011000001001000011110010000110010101010101110101101111110,SWZXMGDKOZMWSV-UHFFFAOYSA-N
+NC3(COC1=CC=C(C=C1)C2CC2(F)F)CCCNC3,230E511A6767F243_476838EE570C4F0C_6035_DP,8.06541,00000000000000000000001000000000000000000010000000000010000000100010000000000001001010110011000101101000100101011100001001000011110101100110001101010011110111100111110,ITHNASAOGDIVEB-UHFFFAOYSA-N
+C[C@H](OCCOC1(CCC1)C#N)C2=C(C=CC=C2F)F,364F0D4D6A607366_AF1E01562A67DAA2_6039_UN,8.065142,00000000000100000000000000000000000000000110000000000000000000000010000010000000000000010000000100000000000111001000101000000011110010100010000110010010110101011111110,RCCNSNWQKSYSRH-NSHDSACASA-N
+CN(C)C1=NC(=CC(=O)N1CC2CC3(NCC2)CC3)CN(C)C4CCNC4,324897F4865E9EAB_DA5B54CDC9ACBFA8_6034_UN,8.064562,00000000000000000000001001000000000000000000000000000000000000000110000000110101101101100011110011101000111010111101111011100001110101010110011111011111011110101111110,DEAXNNIKKLKUOA-UHFFFAOYSA-N
+NCC1=CN(C2=C1C=C(C=C2)F)CC3(F)CNCC34COC4,D18AE9217AB61F13_D0BF78B6589C3654_6034_UN,8.064256,00000000100100000000000000000000000000000010000000000000010000000110000000010000101111110011000011001100010101001000000011100100110100100110001000001001010111100111110,RDHHEQFSVBRONI-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCOCC2)C#N)NCCCN(OC)C,EB79E2AB07542B4F_FC6874782E239BAB_6041_UN,8.063907,00000000000001000000000010000000000000000100000000000000010000100110000100000001101000100010011000101010100011011001101011101010110011010110001001011101010111111111110,KSQLTOMWVBFWQW-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CN2CCOCC2)NCC3C(CCCN3)(C)C,464BA7878E9CCF2D_A0ECC43C94B1E65B_6041_DP,8.063689,00000000000000000000000000000000000000000000000000000010010000000010000000110001001001100011000100101000100011011001101011100000110111010110001001011111010111101111110,IRRIFZWQLQTYFR-UHFFFAOYSA-N
+N1CC2(C1)NCCC3=C2N=C[N]3CC(CC4=C(C=CC(=C4)Br)F)C#N,4605AC71EFB1E8F5_CE6BC34CEF63FD1A_6034_DP,8.062692,00000000100100000000000000000000000000000110001000000010000000000110000000010101101101110011000010101100110100011000001011100100110100100110001011011011010110100111010,FNNBLTDHNBFLJQ-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=CC(=C(SC)C=C2)C#N,BDCE152B924F1F5F_63C27DC731AD89CF_6041_UN,8.062653,00000000000000000000000000000000000000011110000010010001001111001001000001000000010000011010010001000010001101001000100000001110001001111000001011101111010111111111110,AGYOEQYEXJYERT-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CC2)C#N)NCC(OC)(OC)C3=NC=CC=C3,3C39E28D4065356D_22F280D2C94F8C6D_6041_UN,8.062644,00000000000000000000001000000000000000000100000000000000000000100110000000000000101000000001010100101000000000001000100001010110000011010100001011010111110111111111110,LAYWLMQJHGVRRW-UHFFFAOYSA-N
+O(CC1=CC(=CN=C1)C2=CSC=C2)CC3=C(C=CC(=C3)[N](=O)=O)F,070FEBA5ECC6BD8A_0D37244D065AAAF3_6039_UN,8.0624275,00000000000000000000000010000000000010000010000001000000100000110100001100000000000100111000001011100010000101000000000111101110001001110110001011101010010111110111110,NSXJANGDLKPNCF-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)OC2=CC=C([N](=O)=O)C3=C2C=NC=C3)CC=C)OC,26AF41802C0F44D9_3F851EBF9255D507_6003_UN,8.062359,00000000000000000000000010000000001000000000000001000000100000010100001110000000000000000100011001110110010000000100000101101111001001010100101111101110100111111111110,MNDRYBJJXAEJMY-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CCN[S](C2=C(C=CC(=C2F)CBr)Cl)(=O)=O)OC,E2CBAC3C47EFF3CA_25587FD4FF445CF6_6029_UN,8.061927,00000000000000000000000000000000110000000010001000010001001111001001010011000000011000011000011000001011101100011100011000001111001000101010100111111111110111111111110,ZMSDDEMACCRHFR-UHFFFAOYSA-N
+C1(=C(N=CC=C1)CC2(CC2)C#N)NCC3CC(CN3)(C)C,B3FF686DEBCE0412_B27D8D1C04554AA6_6041_DP,8.061837,00000000000000000000001000000000000000000100000000000010000000000110000000100001001100000011000010101000100010011001000011000000110101010110001010010111010110101111010,XJFSRLGDPVLVDC-UHFFFAOYSA-N
+N2CC(OCCOC1=CC=C(C=C1)C#N)CC(F)(F)C2,6C182850F3145980_E00F24D2146A4E98_6039_DP,8.061707,00000000000000000000000000000000000000000110000000000000000000000000000010000000001000110011000100101000000101001100001001000011110010100110001101010001110101110111110,PZYWHHGBZBGLBL-UHFFFAOYSA-N
+NC1=CC2=C(C=C1)N(C3=C2CCCC3)CCOC4(CN)CCOC4,5FF7BC22DE86B4FE_602E0236D233D29B_6034_UN,8.061611,00000000000000000000000000000000000000000000000000000000010000000110000010010000001111100111000111001100010001011000001011100111110111010110001111011001110111110111110,YEXDMSZFROGSKQ-UHFFFAOYSA-N
+CN(C)[C@@H]3CCC[C@H](OC(=O)C1=C[NH]C2=C1C=CC=C2)C3,7A8998CCC548CEE4_D9466A8D51895646_6038_UN,8.061407,00000000000000000000000000000000000000000000000000000000000000000100000000100000000101100000010011000100010010010000101001110111110011000100001101011101101011111111110,PMHYUBGFKVITKQ-OLZOCXBDSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC2=C(C=CC(=C2)Br)N3CCOCC3,6E88ABD262941D3D_92A038C05B2FBA23_6026_UN,8.061397,00000000000000000000000000000000110000000100001000010001011111101001010011010001010101111001001110101010001101011000011011101100111011111110101011111011110011110111110,GZEVUINAPASING-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC=C(C#N)O1)NC2=C(C=CC(=C2)Cl)N3CCOCC3,E87211D1FA5A92CD_C9B815B9C54969C9_6026_UN,8.061389,00000000000000000000000000000000110000000100000000010001011111101001010011010001010101111001001110101011001101011000011011101100111011111110101011111011110011110111110,CUHNJAAUNZOEHQ-UHFFFAOYSA-N
+CN3CCC1=C(C=CC=C1NC2=CC(=CC=C2)C[S](=O)(=O)F)C3,304996C9020A30F6_1077FF6C61690479_6041_UN,8.061125,00000000000000000000000000000001000000000010000000010001001011000001000001010000000001101011010000101110011100011001101001101100111011111110001011011001010110111111110,KOEJLASBJYAYKE-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCCC2=NC(=CS2)C3=CC=C(OC)C=C3)[N](=O)=O,48E6BB4702E83644_C6E7D14002BD69E2_6041_UN,8.060879,00000000000000000000000010000000000010000000000101000000100000110100001100000001111100001000011011001010100000010100001111101111001001010100101111111111110111111111110,MUHGWSAVUFTQJN-UHFFFAOYSA-N
+COC2=C1C(=NC=CC1=CC=C2)NCC3=C(C=C(C=C3)[N](=O)=O)F,E0C3CAC78F82000D_E5940EE992518D58_6041_UN,8.0607815,00000000000000000000000010000000000000100010000001000000100000010100001100000100001000010000011001101110010100000100000101101111001001110100001111101011110111111111110,KYZGKXUMPOANLF-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NC3CC2CNCC2C3)F,6BE0231472BF268B_A11C0568F2B96905_6041_DP,8.060396,00000000000000000000000000000000000000000110000000000000000000000010000000100000001100110011000010001100110100011000000001000000110101110110001010000111010010101111010,HETYCBHZVMYFHA-UHFFFAOYSA-N
+CN(C)[C@H]1[C@@H](CCC1)COC2=C(N)C=CC(=C2)OC(F)(F)F,F582C1308BB86DEB_AF0D49EBC2DC052D_6035_UN,8.060239,00000000000000000000000000000000000000000010000000000000000000000000000000100000000011100101010111000000001111011100101000100011110001110000001110011111110111111111110,UAZZNNRUORYNJV-GXFFZTMASA-N
+COC1=C(C=C(C=N1)Cl)NCC(C)(C)C2=CC3=C(C=C2)OCCO3,02BCD6BD09E74BE9_CFE11568DD7ADFCB_7022_UN,8.060236,00000000000000000000000000000000000000000000000000000000010000000110000010100001001000010000110100101101010101101101011011000111000011110110011111110111110111111111110,HPWIFZUNZUIUKU-UHFFFAOYSA-N
+CN(C)C[C@H]3C[C@@H](OC1=CC2=C(N=C1)CCCC2)CN3,E0B31F2E1D2900E4_8391992CD337A36C_6035_UN,8.060001,00000000000000000000000000000000000000000000000000000000000000000100000000100001001101100011010111101100110010010101001011100011110010000110001111011101110111101111110,PZWYAMAHOHQYEU-UKRRQHHQSA-N
+CC1=C(C=CC=C1Cl)NCC2=NC=CN2C[C@H]4N[C@H]3CCO[C@H]3C4,82EE6850680A03A2_C1CB9CE0F26BF0AB_6034_UN,8.059906,00000000000000000000000000000000000000100000000000000000010000000100000000010101001101010011000111001101110111010000001011100100110111110110001010011011110111101111110,JHJNQEJMQFYBHR-JQFCIGGWSA-N
+COC1(CC3(C1)CNCC(OC2=CC(=C(C)C=C2)C)C3)OC,D1AE69AFBBF6FF4A_04DF80C1B1F48DF5_6035_UN,8.05974,00000000000100000000000000000000000000000000000000000000000000000010000000000000001000100010010100101000010000001100100001010011100010000110010111100111110001111111110,QZWZUPXWVJGTGC-UHFFFAOYSA-N
+CC(OC1=CC(=CC=C1)CC2CNCCC2)(CN)C3=CC=C(C=C3)F,19C8F005BD5984E7_3B09CE3AFFD2AA46_6035_UN,8.059667,00000000000000000000000000000000000000000010000000000000000000000010000000000000001010110011000100101000100100011101001001000111110110100110001101010001110101101111110,DVDJKRLJAILJAL-UHFFFAOYSA-N
+COCC4(OCC2=CC(=C1OCOC1=C2)C3CC3)CNC4,6D345EAE7FFB8ECD_D272AFDFD98E4B55_6039_DP,8.059484,00000000100100000000001000001000000000000000000000000000010000100010000010000000001100100011010111001100010011001101000011010011110010000110100110110001110101111111110,JUAZSNFBTKWMDT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC(CC)(C)C3=NC=CS3,44F3ADF2B8C8BB51_F0F1112031AF1249_6041_UN,8.059427,00000000000000000000001000000000000010000100000100000000000000100110000000000001010100001000000010000000100000011011000011000100000001010100001000010101000110101111010,OMBGCUTWPOCGMK-UHFFFAOYSA-N
+C[N]1C=C(CC#N)C2=C1C=C(C=C2)N[C@H]3[C@H](CC3)C4=C(C=C(C=C4)F)F,1054580DDE6355EA_2AC756930A61A7DD_6041_UN,8.059142,00000000000100000000000000000000000000000110000000000000000000100100000000010000100101010011010010000100110110010000001001100100000001110100001011011011000110101111010,KJQITOHHPIRXAD-UYAOXDASSA-N
+CONCCCNC(=O)C1=CN=C(S1)C2=CC3=C(C=C2)OCO3,0527E61A7FE8DFAC_AE880AAE93038A5E_6038_UN,8.05895,00000000000000000000000010001000000010000000000100000100010000100100010110000000111100001010111011001110110011110100111011011110000110000110101010110001111111111111110,RMWPOPABSNHRJQ-UHFFFAOYSA-N
+COCC(OC1=CC2=C(C=C1)CCNCC2)CC#C[Si](C)(C)C,BA123F33419E75CA_E5BD0801E9E1CCCE_6035_UN,8.05815,00000000000000000101100000000010000000000000000000000000000000000000000010100000001000100000010000001100110011011101001001000011110010000110010110011101110101111111110,NGGVRGIMBASNOP-UHFFFAOYSA-N
+NC(=O)CCC=CC2=CC(=C1OCOC1=C2)C3=CN=CC(=C3)F,E2A14E491C983547_C2AFAC03390C5AB2_7019_UN,8.057637,00000000000000000000000000001000000000000010000000000000010000100100000010000000000110010010100010110100110101110100011011010100000010100100001011110001111111110111110,YAZVCBMKKNFEHX-UHFFFAOYSA-N
+C[C@H](OCC1=NC2=C(S1)C(C)(C)CC(C)(C)C2)C3=COC4=C3C=CC=C4,D1C8D80712DE3B71_83947E791985010D_6039_UN,8.057616,00000000000000000000000000000000000010000000000100000000010000000110000000100000010100001100000110000100010011011001100011000110100000000100010011000100110111011111110,WGJJHLVDYPQRDG-AWEZNQCLSA-N
+C1(=CC2=C(N=C1)OC=C2)NCC(N3CCC(N(C)C)CC3)(C)C,106C57D9D90AF919_C510C1AA59C17018_6041_UN,8.056897,00000000000000000000000000000000000000000000000000000000010000000110000000110001101101100001110010101100010010111001111011100100110001010110011001011101010110101111110,ANYHLGCCELTVFV-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=CC(=C1)NC3=C2CCN([S](C)(=O)=O)C2=CC=C3)C#N,252C9763BD6CD0C4_A0E6960591226423_6041_UN,8.056669,00000000000000000000000010000000110000000100000001010001101011011001001101010000110100001011011010001110011010011000111101101100001001011100101011111011010010111111110,PSQCLVAAURMGAV-UHFFFAOYSA-N
+C[N]1N=C(C=C1C2=NC=C(C=C2)F)N[C@H]3[C@H](CCNC3)C4=CC(=CC=C4)F,952B2FC659EC8CA4_63D11266777230DD_6041_DP,8.056418,00000000000000000000000000000000000000100010000000001010000000100100000000010101101100110011011010101000100100010000001011101100110101110110001011011011010010101111010,HYZICNRKGWKMSQ-SJLPKXTDSA-N
+C1(=CC2=C(C=C1)OC(=O)C(=C2)C#N)NCC(C)(C)C[N]3C=CC=N3,41BFD687EE4150DB_182BF9B128B86505_6041_UN,8.055998,00000000000000000000000000000000000000000100000000001000010000000110000000110000101100000010001011101100010000011101000011111101000001010110001111001111111110111111110,LNBXRUHDBWNKHW-UHFFFAOYSA-N
+CC2=NC=C1C=CN(C1=C2)CC3CCCN3CC4CCCN4,0EF4C4D84EC0F5ED_2F7FB492BAD85EA1_6034_UN,8.0559225,00000000000000000000000000000000000000000000000000000000000000000100000000010001101101100011000010101100110000010000001011100100110000000110001000011011010110101111010,PYKCUCOCTJCFRJ-UHFFFAOYSA-N
+FC1=C(C=CC=C1NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3)CC#N,210D28ADAE357768_1AF3CF2278D4EEBC_6041_UN,8.055902,00000000000000000000000000000000000000000110000000010001001111001101000001000000111000011001110001101010000100111100010001001111001001111100001111101011110111111111110,AAVUCZSJHOOXFL-UHFFFAOYSA-N
+COCC1=CC2=C(C=C1)CN(CC2)[S](C3=CC(=CC4=C3C=CO4)F)(=O)=O,2C1D1D55BB9B3424_7EB5E49F76E20B4E_6029_UN,8.055686,00000000000000000000000000000000110000000010000000010001011111001001000001010000010100111000011010101110011101011001011011101110111000101110100011111000110111111111110,NUBAOSXQFVRPHC-UHFFFAOYSA-N
+NCCC1(CCNCC1)OC3=CC(=C2OCCC2=C3)Br,0800EB3791AE4BC7_CA8D9BC8616FEDCB_6035_DP,8.055084,00000000000000000000000000000000000000000000001000000000010000000010000000000000001110110001000011101100110101011100001011000011110110100110001111010001110101110111110,KNOCHIMGXDQPKR-UHFFFAOYSA-N
+O(C2(CC1=CC=C(C=C1)F)CC2)C[C@H]3NC(O[C@@H]3C)(C)C,004D7A4AE73773B5_489F2D0CAC9FE738_6039_DP,8.055024,00000000000000000000001000000000000000000010000000000000010000000010000000100000000100010100100110000000100111111000110011000011110010100100010100010111110111111111110,BWTVFXAZGVUDDH-IUODEOHRSA-N
+COC1=CC(=C(C=C1)CNCCOC3=CC2=C(C=C[N]2C)C=C3)OC,BB66BDB6099040E8_22776ECE032F9B9B_6035_UN,8.05456,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101100100010111001100110011010100001001100111010010000110011111111111110111111111110,HWVDWMCQKNNMHB-UHFFFAOYSA-N
+NCC3(OC1=C(C=C(C=C1)CN2CCNCC2)Cl)COC3,233B057FF62C08FE_94E01F34632E7418_6035_UN,8.053948,00000000100100000000000000000000000000000000000000000000010000000010000010010001001011110011000101101001100101011100001011100011110110100110001111011011110101110111110,RGYFVDYYYUPWTB-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)N=C=O)NCCC2=CC(=CC(=C2)OC)OC,37649341F306E576_0F7E739324560C3D_6041_UN,8.053793,00000000000000000000000000000000000000000000000000000000000000000000000000000011001000000100010000001000100010110100011100000111000001010000011111110111111111111111110,UXYSQHMVRGTXCG-UHFFFAOYSA-N
+FC(F)OC1=CC2=C(C=C1)N(C=C2)CCC3N(C)CCOC3,A3354C942C998B3B_04B70E4E3C26C98B_6034_UN,8.053589,00000000000000000000000000000000000000000010000000000000010000000100000000010000100101100000010110101100011111010101101011100111110010100110001101011010110111111111110,VSTWMIWHGAYMFC-UHFFFAOYSA-N
+OC(CF)C1=CC(=CC=C1)NC[C@@H]3[C@@H](C2=CC=N[N]2C)N(CCC3)C4CC4,2DBA39747AB3483A_FBE2935F1C6F912A_6041_UN,8.053486,00000000000000000000001000000000000000000010000000001000000000100100000000010001101101000011011010101000100000010000001011101100110111110111001011011011110111101111110,YVJXRILWUUTCMZ-GSZILNDISA-N
+COC(=O)CC1=CC(=C(C=C1)C)NCC2=CN=C(N(C)C)C=C2,AF23FF4982FED624_E5EEBF1C35EA9E4F_6041_UN,8.052831,00000000000000000000000000000000000000100000000000000000000000000100000000100100101001100001010000101000000010000000100001110110000011010100011011001111011111111111110,MKWFRFFDBKSTNR-UHFFFAOYSA-N
+CC(C)(CN)C3(OC1=CC2=C(C=C1)C=CN=C2Cl)CCOCC3,3DEF70B70D259C69_3F01CD5932884239_6035_UN,8.052812,00000000000000000000000000000000000000000000000000000000010000000110000000100000001010110101000001101101010111001101101011000111110010100110001101010101110111111111110,BDBGXKFLWGWAFD-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)SC(=N2)CC#N)NCC3(CCNC3)C(C)(C)C,30C14E3A27C13E9D_75DF991BD6C18319_6041_DP,8.051802,00000000000000000000000000000000000010000100000100000100000000000110000000100000111100101011000010001100110010011000101011000100110101010110011000010101010110101111010,LJPRTZNNVLJWOP-UHFFFAOYSA-N
+COC3CN(C)C(C)(COCC1=CC2=C(C=C1)OCC2)C3,8E35A4455A2972D0_D0BFF8CD46A908F2_6039_UN,8.051751,00000000000000000000000000000000000000000000000000000000010000000010000000010000000101100000010111001100010011011101101011100011110010000110010110111110110111111111110,GZOPCWYBZJKYDC-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)C#N)N[C@@H]2CCN(CC)[C@H]2C3=CC(=C(C=C3)Cl)F,F4A1B55AC555A3D2_D546F10E30EA9586_7022_UN,8.050955,00000000000000000000000000000000000000000110000000000000000000100000000000010001100101110011000010001001100110010010101001100100110001110110001011011011010110101111010,VSMAFWUHCOURAE-MOPGFXCFSA-N
+C1(=C(C=CC(=C1)OCC2=CC=CC=C2)F)OCC3=CC(=C(N(C)C)C=C3)[N](=O)=O,B82888E3F5B2499C_345D6E5C444EDD67_7022_UN,8.050908,00000000000000000000000010000000000000000010000001000000100000010000001100100001000001110100011001000010000101000100000100101111001001110010101111101110110111111111110,CLVPAPKHKFNADY-UHFFFAOYSA-N
+NC(=O)NC1=C(C=CC=C1)NC2C(N(CC2)CCF)=O,2635E2CDE9F423B0_0565B0BEC79E96C4_6041_UN,8.050649,00000000000000000000000000000000000001000011000000000010000000000000000000010101100111100011100110001000101000110000011001100001110101111110001110011011011110110111110,RORPEUJABXBIEJ-UHFFFAOYSA-N
+CC1=NC(=C(C=C1)CC#N)NCC2=C(C(C)(C)C)C=CN=C2,806B703880639CFA_6DFADEA669AB7823_6041_UN,8.050492,00000000000000000000000000000000000000100100000000000000000000000110000000100100101000000010000000101000000010011000000011000100100001010100011011000111010110101111010,DVBWVLKFGHEHKA-UHFFFAOYSA-N
+CC1=C(C4=C(C=C1)[C@@H](OCC3CC2(CCNCC2)O3)CCO4)C,E8029E98353F6BAD_F767AB1EFC88D179_6039_DP,8.050415,00000000100100000000000000000000000000000000000000000000010000000010000010000000001000100101000001101100110011011100001011000011110010000110000111110111110101111111110,NUKVEDOJIRMVDV-LWKPJOBUSA-N
+CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NC3=CC(=C(C=C3)Br)[N](=O)=O,1D3E803DA2687AB1_18ADEDBA5DFA0667_7022_UN,8.050341,00000000000000000000000010000000000000000000001001000000100000010000001100000000100000010001001100000011000101000100000100101111001001110000001111101011110111111111110,RXEXOCXIZYXTAD-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NC3=CC(=C(C=C3)Cl)[N](=O)=O,A85FE9D9080F15F8_F198F623753539B4_7022_UN,8.050339,00000000000000000000000010000000000000000000000001000000100000010000001100000000100000010001001100000011000101000100000100101111001001110000001111101011110111111111110,AJYLRPYLMDHSMT-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NC3=CC(=C(C=C3)F)[N](=O)=O,CBF89AD4DB70BFF2_B5092A7B5E26A3FF_7022_UN,8.050333,00000000000000000000000010000000000000000010000001000000100000010000001100000000100000010001001100000011000101000100000100101111001001110000001111101011110111111111110,JJRPACIXFSURLU-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)(F)F)C1)CC2=C(C=CC(=C2)F)C#N,4ACA26C635F1B2DA_B46A2038CEC37643_6039_UN,8.05024,00000000000000000000000000000000000000000110000000000000000000000000000000010000000101110000000111001000001101011000001001100011110010100110001110011010110101100111110,LHKJDOZWEVGCLF-ZDUSSCGKSA-N
+N1CC(C1)(C#N)C2=NC=C(C=C2)NCCC3=NC4=C([N]3C)C=C(C=C4)F,9F3BC956A7DF36CD_25B6DAE35C3CF869_6041_DP,8.049348,00000000100100000000000000000000000000100110000000000000000000100110000000010101101101110010010010101100110110011000101011100100000101110110001011011011010110101111010,NYSJFOMESFXEJS-UHFFFAOYSA-N
+CN1C(COCC1)CCOCCC2=CC=C(C=C2)C#N,9425643D370220E3_9FD27DC9DCF8602B_6039_UN,8.0491705,00000000000000000000000000000000000000000100000000000000010000000000000000010000000001100000010101101000000011010001101011100010110010000110001001011010010111111111110,ZEWGGPOFGFULCR-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC=C(C=C1)N[C@@H]2CCO[C@H](C2)C3=CN=CC=C3,AC24035126F21505_E91A5077A2565B90_7022_UN,8.048871,00000000000000000000100000000010000000000000000000000000010000100100000000100000000000100010010001100000100001011000001011000100110011010100011001011101110011101111110,FPUWSXCBNJGJGG-IEBWSBKVSA-N
+O(CC2CCN(CC1=CC=CO1)CC2)CCO[Si](C)(C)C,485FB86430E60DCB_41B5FCBA44AA9B14_6039_UN,8.048811,00000000000000000000100000000010000000000000000000000000010000000000000010110000000101100000010110101010000011011000101011101010110010000110010000111100110101111111110,QTDYESWDXQKGSQ-UHFFFAOYSA-N
+O(C2CCOC1(CCOCC1)C2)CCN3CCOCCC3,1DC27D480CDF18B8_8476A29922AE9F3A_6039_UN,8.048585,00000000000000000001000000000000000000000000000000000000010000000010000000010000000001100100000101101000010001011000001011100011110010000110100101111000110101110101110,BCMZXJRPTQAKPI-UHFFFAOYSA-N
+FC1=C(C(=CN=C1)N[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)F)C#N,F743ACC819071759_DF4A1CA8C4E533CD_6041_DP,8.048444,00000000000000000000000000000000000000000110000000000010000000100100000000000001101000110011000000101000100100010000001011000100110101110110001011010011010010100111010,CPEAQQCEZOJZGA-CZUORRHYSA-N
+BrC2=C1N(C3=C(C1=CC=C2)CSCC3)CC(C)(C)CN4CCCC4,BFE531049B361C6B_065B02F1BC0FFC74_6034_UN,8.048345,00000000000000000000000000000000000010000000001000000000000000000110000000110000100101111000000010101100010110011001001011100100110000100110001011011100010110101111010,OUDAIHCAAFYNCI-UHFFFAOYSA-N
+NC3(COC2=CC=C(C1CCCN1)C=C2)CCC(F)(F)CC3,8217D0A58157DA91_2B25D39458F7AD45_6035_DP,8.048323,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110010011000110001000100101011100001001000011110101100110001101010001110111100111110,WYPNNWWFOMVXPP-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N=CC(=C2)N[C@@H]3COC[C@H]3N(C)C,76595460412E6C65_BB2771B15BB1F7AC_6041_UN,8.047703,00000000000000000000000000000000000000000000000000000000010000000100000000100001000101100011010111100100110011010000100011100100010001010110011001001111010011101111110,VZMOXRMMXBBCSV-HZPDHXFCSA-N
+COCCOC1=CC2=C(C=C1)C=C(C=C2)OCC3CC(OC)(C3)OC,7D79FBE16A5A7C0F_1E116CA94E7C6719_7022_UN,8.047674,00000000000100000000000000000000000000000000000000000000000000000000000010000000000000100000010000000100010001001101101000010111100010000010110101110100110101011011110,ANBKZNWIEOXUSN-UHFFFAOYSA-N
+CN(C)CC2(OC1=C(C)C=C(C(=C1)Br)C)CCCCC2,9C582F0E8A7D76C3_789F16C20AE191CC_6035_UN,8.047197,00000000000000000000000000000000000000000000001000000000000000000010000000100000000001110000010100001000000110001101001000100011110010100000010111011110110101101111110,ZCALKPJWTINYIN-UHFFFAOYSA-N
+CN1CCN(CC1)C2=NC(=NS2)NC3=C4C(=CC=C3)OCO4,BEE0E01292F3F698_E918E0251C2B23EB_6041_UN,8.046934,00000000000000000000000001001000110010000000000100000000010000100101000010010101110101101001011111101100011001010101101011111100110001010110001011011001110011111111110,DEZFWLGBVYWTTD-UHFFFAOYSA-N
+CC4(C)OCC(CC=CC2=C1C=CC=CC1=C(Cl)C3=C2C=CC=C3)O4,5506E758390EC73A_E45B66F0204BF73E_7019_UN,8.046768,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100010000000010010101010111001000100010010100000010100100000001000100110101011011110,AUIWSTBIEZRCOB-UHFFFAOYSA-N
+O(CCC[C@H]1NCCC1)C3=CC=C(C=CC2=CC=CC(=C2)OC)C=C3,42EED4A56E2CF7F3_3A25AE87953024AC_6035_UN,8.046615,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100000011010010011000100001010100001001000111110010000110000101010001110111111111110,PJKSPRJOCHEFBM-FQEVSTJZSA-N
+FC1=C(C(=CC=C1)NCC2CC(CN2)(C)C)CCC#N,A60D185D720008F8_2FD670240366EEFD_6041_DP,8.046483,00000000000000000000000000000000000000000110000000000010000000000010000000100001001100010011000010001000100110011001001001000000110101110110001010010111010110101111010,HWTZDNHMZPLHAT-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C2=C(C=CC=N2)OCC3=C([S](C)(=O)=O)SC=C3)OC,0635631D6019E009_DBF60C225952029A_6039_UN,8.0464325,00000000000000000000000000000000000010000000000000010001001111101101000011000000010100001000010110100010000011001100000011001111001000001100110111101110110111011111110,WARQHRGJQOYLLX-UHFFFAOYSA-N
+BrC2=C1[N](C=C(C1=CC=C2)CC#N)CCC3(N)CCC(F)(F)CC3,BD8B332D12281C68_93B91E2FA8C06F00_6034_DP,8.045997,00000000000000000000000000000000000000000110001000000000000000000110000000010000100111010010000010001100110100011000001001100100110001100100001001011001010110100111010,NQJBNGNWDUHERI-UHFFFAOYSA-N
+ClC2=C1[N](C=C(C1=CC=C2)CC#N)CCC3(N)CCC(F)(F)CC3,6ECECEB71CED604A_A6F5F7DA9F757B7A_6034_DP,8.045995,00000000000000000000000000000000000000000110000000000000000000000110000000010000100111010010000010001101110100011000001001100100110001100100001001011001010110100111010,LWQXISGQUQBQCW-UHFFFAOYSA-N
+O(C(=O)CC2=C1C=CSC1=CC=C2)CC3=CC=C(N(C)C)C=C3,51C0E83AD87416FC_2196DF7E502B6510_6031_UN,8.0456085,00000000000000000000000000000000000010000000000000000000000000000000000000100000010101101000010010000100010001000000000000110110010011010100000001001100011111111111110,CVIIEQWCQSKFGS-UHFFFAOYSA-N
+CC3(C)CN(CC1=CC=CC=C1)CC(COCC(C2CCNCC2)F)O3,183A601A935A22E1_625BF7F951414F0B_6039_DP,8.045335,00000000000000000000000000000000000000000010000000000000010000000010000010110000001001100001000101101000100111011001001011100010110010100110001001011101110101111111110,TVMFAGRTJZNBLD-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NCC2=CC(=C(C=C2)OC)OCC,683CCD5B926AFA67_842D7DEBAFB37179_6041_UN,8.045021,00000000000000000000000010000000000000100000000001000000100000010100001110000101001000000000111001101010000001100110010101101111001001010110111111101111110111111111110,LGBLGSKWHARHII-UHFFFAOYSA-N
+CN1C(COCC1)CCOCC2=CC=C(SC(F)F)C=C2,B1AC4D7442C2942A_63610B33A9BE2443_6039_UN,8.044868,00000000000000000000000000000000000000000010000000000000010100001000000000010000010001101000010101101000001111010001101011100010110010100110000001011010010111111111110,DDQAMFZPUSGCSD-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CCOCC2)C#N)NCC3(CCOC)CC3,514523D237ED65FB_B048A6D3FBD5D135_6041_UN,8.044716,00000000000000000000001000000000000000000100000000000000010000100010000000000000001000100011010000101000000001001001101000000010110011010110001001010001010111111111110,BFHKMFITJXYWHC-UHFFFAOYSA-N
+CN1CCN(CC1)C2=CC(=CN=C2)NC4=CC3=C(N(C)C(=O)CO3)C=C4,5F4403E378AFCFD5_4F64BF35D10D924D_6041_UN,8.044022,00000000000000000000000000000000000000000000000000000000010000100100000010010001100001100000110101101100010001110101111011100101110011010110001111011111111011111111110,FXBVTTRQSKNSDV-UHFFFAOYSA-N
+FC(F)(F)C1(CCCN1)C2=CN(C3=C2C=CC=C3)CCC4(N)CCC4,6E5CCFF20FADBDBE_03D46BC99A328260_6034_UN,8.043862,00000000000100000000000000000000000000000010000000000000000000100110000000010000101111000011000010001100111100011000001011100100110101100110001000011001010110100111010,XAHBQSMHMKZZKT-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCCC2)C#N)NC3CNC(C3)(C)C,DFB83E015772C3A2_B39D0A531B2F36B7_6041_DP,8.043811,00000000000000000000000000000000000000000100000000000110000000100010000000100001101100000011000010001000100010011001101001000000010101010100001000010101010010101111010,PLTFBFRFKANNJG-UHFFFAOYSA-N
+CC(C)CC1COCCC1OC2=CC=CC3=C2NC(C)CC3,1D9A8673CF70C0C9_56780EB1C3832B30_6035_UN,8.043502,00000000000000000000000000000000000000000000000000000000010000000000000000100000000000100111000100100100110011010101101011000011110010010110010111010111110111111111110,QODOQVZYOQLWIF-UHFFFAOYSA-N
+BrC2=C(C=C1N(C=NC1=C2)C[C@H]3[C@@H](CNC3)C4=CC=C(C=C4)Cl)C#N,35FB971F2C2D2348_CAF48174E23949D1_6034_UN,8.043374,00000000000000000000000000000000000000000100001000000000000000100100000000010101101101110011000010001101010100000000000011100100110000100110001011001011010110100111010,LKUUERKMMXISLL-HOCLYGCPSA-N
+C2(=C1CC[C@H](C1=CC=C2)N=[N]#N)NCC3(CNC3)COCC[Si](C)(C)C,EC2171352CC0A4BE_7A81ADC3FBD40F7E_6041_DP,8.043246,00000000100100000000100000000010000000000000000001001100000000000010001000100100101000100011011011001100010001011001101101001010111111010110011010011101010111101111110,OFSHHAKWWXOIGW-GOSISDBHSA-N
+CC(C)(OCC1OCC2CCOC12)C3CCCN3CC4=CC=CC=C4,EFEAF77B8AEE1CF0_917F4271888093CC_6039_UN,8.042979,00000000000000000000000000000000000000000000000000000000010000000010000010110000000101100100000110001100010011011000101011100010110010000110000000111110110111111111110,VRAYYLQUTINUTR-UHFFFAOYSA-N
+C1(=CC(=C(C=C1)C#N)C2CC2)NC3=C(C=CC(=C3F)F)C#N,D7169B2763FF8949_2640E124878A9382_7022_UN,8.042575,00000000000000000000001000000000000000000110000000000000000000100000000000000000100000010000000000000000000100000000000000000100000001110000001011010011000010100111010,LMWXYKFFOCHZGE-UHFFFAOYSA-N
+CC1=C(N=C(C=C1)C#N)NC24CC3CC(C2)CC(C3)(C4)F,852653ED8DA08491_D1D671BADF98AD73_6041_UN,8.042502,00000000000000000000000000000000000000100110000000000000000000000110000000000101000000010001000000100100110100011000000001000000100001110100001011000011000010101111010,LXVCMKNKZZEDTB-UHFFFAOYSA-N
+COCC34CC(COC2=C1N=CC=CC1=C(C=C2I)Cl)(C3)OC4,928744A9C2402FBF_6787227B00455772_6035_UN,8.042292,00000000000100000000000000010000000000000000000000000000010000000110000010000000000100110100010110100101010111001101000011000111110010100110000111100010110111011111110,NYUVKTHYULNEFB-UHFFFAOYSA-N
+COCC34CC(COC2=C1N=CC=CC1=C(C=C2Cl)Cl)(C3)OC4,5284E3D5230E5FFC_43C1101AEB1B40E7_6035_UN,8.042288,00000000000100000000000000000000000000000000000000000000010000000110000010000000000100110100010110100101010111001101000011000111110010100110000111100010110111011111110,RTFVRDLKOAJWMR-UHFFFAOYSA-N
+COCC34CC(COC2=C1N=CC=CC1=C(C=C2Br)Br)(C3)OC4,F4064CD7C3B3B9CE_40D9A094DBFC2466_6035_UN,8.042284,00000000000100000000000000000000000000000000001000000000010000000110000010000000000100110100010110100100010111001101000011000111110010100110000111100010110111011111110,NMPMBNWZIFZAGE-UHFFFAOYSA-N
+COCC34CC(COC2=C1N=CC=CC1=C(C=C2I)I)(C3)OC4,E608F50902D1BA93_F0931704E969EFB8_6035_UN,8.042273,00000000000100000000000000010000000000000000000000000000010000000110000010000000000100110100010110100100010111001101000011000111110010100110000111100010110111011111110,UHGOIKRONLRHFR-UHFFFAOYSA-N
+CC(OCC1=CC=C(COC)C=C1)(CC2=CC=NC=C2)C3(C)CC3,6FBF9942EF090974_99F9141E8F6143F5_6039_UN,8.042157,00000000000000000000001000000000000000000000000000000000000000000110000000000000000000100000010000100000000011001001100001000110110010000110010001010100110101011111110,GKYWFWMFKXSDOQ-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC3=C(N2CCNCC2=O)C=CC=C3)CCC#N,B223F307236817A0_E92F16C5FB30AC80_6041_DP,8.041936,00000000000000000000000000000000000000000110000000000000000000100000000000010001001001110011100100101000100100110000011011100101110111110110001111011011011110100111110,HCFUPRJECNLNQW-UHFFFAOYSA-N
+CCCOC1=C(C=C(C=C1)CC#N)NC2=C(N=[S](C)(=O)C)C=CC=C2,BE272CD193F8921D_675ADCF785E9B7BC_6041_UN,8.041608,00000000000000000000000000000000110000000100000000010000001011000001000001100001000000101001011100000010000001011111011100001111001011010000011111011111110111111111110,YZMYIRKLXZGOJL-UHFFFAOYSA-N
+CC4(C)CC1=C(C=CC(=C1)O[C@H]2CCOC3=C(C)C=CC(=C23)C)O4,8BB200C937D9FBBE_76EE0078FBDDB675_7022_UN,8.040556,00000000000000000000000000000000000000000000000000000000010000000010000000100000000100000100000010100100010011001101001010000111000010000100010111110100110001011011110,PFGRYEUHGVQNEG-SFHVURJKSA-N
+COCC3(COC1=CC=C(C=C1)C2CC2(F)F)CCNC3,B5981E40EA764546_D8226F4D619DF1AC_6035_DP,8.040279,00000000000000000000001000000000000000000010000000000000000000100010000000000000001100110111010011001000100111011101001001000011110000100110000100010011110101111111110,KQVVUADILOHNOE-UHFFFAOYSA-N
+CCOC4(COCC1=CC(=CC2=C1OC(OC2)C3=CSC=C3)F)CCOCC4,21BD46462C742B3A_9385C10C0C630534_6039_UN,8.040239,00000000000000000000000000000000000010000010000000000000010000100010000010000000000100111100000010100100010111001110001010010111110010100110100111110000110101011011110,BITLMSLBRRDASO-UHFFFAOYSA-N
+CC1=NC(=CC(=C1)NC2=C(N(C)C)C=CC(=C2)F)C#N,8993A49C3A91F87E_75EBC6F4F8519B42_6041_UN,8.039904,00000000000000000000000000000000000000000110000000000000000000000100000000100001100001110000010000100000000100000000000001100100000001110100011011001111000010101111010,QOLWPVDDGSVPDV-UHFFFAOYSA-N
+C1(=C(N=CC=C1)CC2(CC2)C#N)NCC3CCCC3(C)C,6B3E7399853F38C1_8BA3AFBD0224427A_6041_UN,8.038235,00000000000000000000001000000000000000000100000000000000000000000110000000100001001000000011000010101000000010011001101001000000110001010100001010010111010110101111010,HUOGQBIMCNHRHM-UHFFFAOYSA-N
+COCC(OC1=C(C=C(C=C1)Cl)N2CCNCC2)CN3CCC(CC3)N,414DD9D246BBBA02_5604855F1FAD3A6C_6035_UN,8.038205,00000000000000000000000000000000000000000000000000000000000000100000000010010001101011110011010101101001100111010101001011100011110111110110001111011011110111111111110,ASEARUOBTOYOCD-UHFFFAOYSA-N
+C1(=C(C=NC(=N1)C2CC2)C#N)NC3=CC(=C(CC)C=C3)[N](=O)=O,6B87A988BAA36A35_21D0D5F575BA86F5_6041_UN,8.037296,00000000000000000000001010000000000000100100000001000000100000110100001100000100100000000000001000100010000000000010000111101100001001010100001011011011000110111111110,CBQWQCUDLOKBMX-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2Cl)F)CC(C)(C)N3CCNCC3,0DEB59DBA18F3FA4_37290D72AC014301_6034_UN,8.037168,00000000000000000000000000000000000000000010000000000000000000000110000000110001001111110001000010101101110110011001101011100100110100100110001001011101010110101111010,MHLDSGAVIYDZER-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2Cl)Cl)CC(C)(C)N3CCNCC3,6A3485CB63BCEFFA_448526CF7D45A04A_6034_UN,8.037166,00000000000000000000000000000000000000000000000000000000000000000110000000110001001111110001000010101101110110011001101011100100110100100110001001011101010110101111010,QKQCHQSYEKBNNV-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2F)Cl)CC(C)(C)N3CCNCC3,43FE3B7E196AE33E_CF299070CF9DA638_6034_UN,8.037163,00000000000000000000000000000000000000000010000000000000000000000110000000110001001111110001000010101101110110011001101011100100110100100110001001011101010110101111010,MNPLMPJWOQKALY-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NCC3(OCCNC3)C,A68A972DFA1AA8DF_745BCA8D297F135C_6041_DP,8.037022,00000000000000000000000000000000000000000100000000001100010000000110010000000001101100100011001110101100110011011001101011001100110111010110001001010001110111101111110,CUIHTFFHHGNHHU-UHFFFAOYSA-N
+C2(=C1OCCCOC1=CC(=C2)CC#N)NC[C@@]3(CCCN3)C,FFB133BE60838D49_444F5833391F82DF_6041_DP,8.036997,00000000000000000001000000000000000000000100000000000010010000000010000010000001001100000111000111001100110011011101101011000000110111010110001010010001110111111111110,ZBQANBNGTJLYLZ-KRWDZBQOSA-N
+C2(=C1N=C([NH]C1=CC=C2)CC#N)NCC3=CC=C([Si](C)(C)C)C=C3,87B80655A9FD91B3_FDE2096757F2E45E_6041_UN,8.036837,00000000000000000000100000000010000000100100000000000100000000000100000000100101101100100000010010001100110000011000000011000100000101010100011001001101010110101111010,PCOAUWMLPFXLSV-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)NCCSC2=C(C=CC=C2)F)C3(CC3)C#N,C50913734C8AF21B_8ACB8CDDD0A2CA5F_6041_UN,8.036741,00000000000000000000001000000000000000000110000000000000000100101010000000000000011000011000000000001000100100011000001000000100000001110010001011010011010110100111010,LHLWENLAGFRAFR-UHFFFAOYSA-N
+N1CC4(C1)OC5(COC2=C(N)C=C(C=C2)CN3CCCCCC3)CC4(N)C5,38695CAEB96D56FE_3883E26DDA4A2F16_6035_DP,8.036613,00000000100100000001000000000000000000000000000000000100010000000010000010010000101111100011000111001000110001011100001011100011110111010110001110011011110111110111110,LRDKHZOIALTJEJ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCOCC2)NC(CCSCC)C,6BE02A157305ED0A_8D7F9AE0EEB5926D_6041_UN,8.036146,00000000000000000000000000000000000000000000000000000000010000000000000000010000000001101010000100101000100011010011101011100000110011010110001001011101010111101111110,VLPDKVVWCMCFNU-UHFFFAOYSA-N
+C(CCOC1CCOC1)=CC3=C2OCCC2=CC(=C3)Cl,06BA046DA1CC1171_CE6027D9AF7E133B_7019_UN,8.035815,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100110100000010010101010101000100001010000011110010100110000110110000110101010011110,DYTRWDXNGVEIGJ-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)CC#N)NC2(CC2)C3=NC=C(C=C3)F,BC208B1521F4082D_41C0776378A3A6DC_6041_UN,8.035764,00000000000000000000001000000000000000000110000000000000000000100110000000000001000000010010000000100000100100011000000001000100000001110100001011010011000110100111010,MFRQSISKUYSZJW-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CC=C2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,98C43B9639F22ABD_C2C3B987EAB1BED2_6041_UN,8.035696,00000000000000000000000000000000000000000000000000001000010000100100000000010001101101100001011111111100010011010010101011101100110011010110001011011111110111101111110,RKQUNPMYESGELH-PMACEKPBSA-N
+CC1=C(C=CC=C1Cl)NCC2=NC=CN2C[C@@H]3C[C@H](C)CCN3,0B5B8BEDCDFFFF74_693236379DAD1220_6034_UN,8.035358,00000000000000000000000000000000000000100000000000000000000000000100000000010101001101010001000010101001100110010001101011100100110101110110001011011111010110101111010,LKFJHHPNIAGYCW-HIFRSBDPSA-N
+FC1=C(C=CC(=C1)C#N)NCC2CC3(CN2)CCOCC3,7A1BF8A9BAD270CE_60C60761344ADBA5_6041_DP,8.035353,00000000000000000000000000000000000000000110000000000010010000000010000000000001001100110011000010101000110101011000001011000000110111110110001011010011010111100111110,QVJLEJXABQUZID-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2CCO2)NC3=C(N(C)C)C=CC(=C3)F,E9E427C69164D8EB_62F2DC181F1E7E5C_6041_UN,8.0352745,00000000100100000000000000000000000000000010000000000000010000100000000000100001000001110001010001000000000101000000001000100100000011110100001011011111110011101111110,QFBIKFMNPCIFRE-UHFFFAOYSA-N
+COCOC1=C(C=C(C=C1F)F)NCC3CN2CCCC2CO3,ACD80F7564F791F1_27BD7BD6B49F9038_6041_UN,8.03473,00000000000000000000000000001000000000000010000000000000010000000000000000000000101101110011010110101100010101010101001011110011110011110110001111111011110111111111110,SFXFMTGWBBMRDC-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)NCCOCC(OC)OC,253792E7DB2D31BE_586A19CC6153BC4A_6041_UN,8.034645,00000000000000000000000000000000000000000100000000000000010000000000000010010001101001100001010100101000100001010000101011110010110011010110101011111111010111111111110,QWFWOMFANYIHMM-UHFFFAOYSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NCC3C(CCCN3)(C)C,11A3D938CE33A5F6_2208C809A954B07F_6041_DP,8.034341,00000000000000000000001000000000000000000100000000000010000000100110000000100001101000000011000000101000100010011001101011000000110101010110001011010111010110101111010,YNDGTXUSZRDLPN-UHFFFAOYSA-N
+C[Si](C)(C)C1=NC(=CS1)NC2=CC3=C(C=C2)COCC3,B3A4BC6F3C4F249B_9536A99DF5112E45_6041_UN,8.03418,00000000000000000000100000000010000010100000000100000000010000000100000000100100010100101001010010100100011001001000001011000100110011010110011011011101010011101111110,ILRKLKPHYATMSI-UHFFFAOYSA-N
+CC2=C1N=C([N](C1=CC=C2)CC3CNCC34CNC4)CC#N,342D250F3B780FA7_77E1541B9B23F488_6034_DP,8.033834,00000000100100000000000000000000000000100100000000000100000000000110000000010101101101100011000010001100010000011000000011100100110100000110001010001011010110101111010,JFWWFWLWMWXSLX-UHFFFAOYSA-N
+CC(OCC1OCCC12CNC2)C4CCN(CC3=CC=CC=C3)C4,BBCBF91E148E8908_044AC06C9590BA0B_6039_DP,8.033793,00000000100100000000000000000000000000000000000000000000010000000010000010010000001101100011000011001000010011011000101011100010110010000110001000011001110101111111110,CGSOKLQCMQQDLJ-UHFFFAOYSA-N
+CC3(OCC2=CC1=C(CCNC1)C=C2)CCCN(CCC#C)C3,E2508E4F93A64C31_1871C8F88B31BA80_6039_DP,8.033341,00000000000000000100000000000000000000000000000000000000000000000010000000010000001001100001000100101100110011011001101011100011110010000110001111011001110101101111110,UDUIIOJGRPBCMX-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CF)NCC3(C2=C(OC)C=CC=C2)CC3,499C053E750BCB9A_B2168520EE25EFAC_7022_UN,8.033096,00000000000000000000001000000000000000000010000000000000000000100010000000000000001000000011010000001000000000001100000000000111010001110010000111010011110111101111110,XDKRIPRNGBMBJO-UHFFFAOYSA-N
+COC(OC)(OC)C1=CC=C(C=C1)NCCC3=NC2=C(COCC2)S3,8A8307EF012CCB6E_ADB8509B4DAB6CAD_6041_UN,8.032686,00000000000000010000000000000000000010000000000100000000010000000100000000000000111100101000010011101100111001011000001011010110110011010110111011110101010111111111110,ABVYDKLDBBXRPI-UHFFFAOYSA-N
+O(CC1=CC=C(C=C1)CN2CCOCC2)CCN3C(C)(COCC3)C,DF8078C29112B3B8_0B6C6A4F7981201C_6039_UN,8.032319,00000000000000000000000000000000000000000000000000000000010000000010000000110000000001100000000100101000000011011001101011100010110010000110001001111110010111111111110,PSXLHXZKNRELGA-UHFFFAOYSA-N
+CCC1=CC(=C(C=C1)CC)NCCCC2=CC(=C(OC)C=C2)OC,CBC036C471A5EEEE_9FE22D8777D7F5EE_6041_UN,8.032286,00000000000000000000000000000000000000000000000000000000000000000000000010000000001000000011010000001000100000010110001000000111100001010000010111010111110111111111110,SLFHQTDTXCFQEE-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C2=C(C=CC=N2)OC3=CC=C(C(=C3)[S](Cl)(=O)=O)C#N)OC,59C8273C15C5EA59_3A947775E2FBE344_6003_UN,8.032139,00000000000000000000000000000001000000000100000000010001001111101101000011000000010000001000010100100011001100001100000001001111001000101100101111101110100011011111110,OTBQTQNSVOJLLO-UHFFFAOYSA-N
+FC1(F)CC15CCC(C=CC2=C(C)[N](C(=C2)C)CC4COC3=C(C=CC=C3)O4)CC5,2F72F7A8296E1B44_D4B9C5C99AF64479_7019_UN,8.031539,00000000000000000000001000000000000000000010000000000000010000000110000010010000000101010000000111111100010101001100101011100100110010100110000011011110110111111111110,JJSDNCZTOUQPAW-UHFFFAOYSA-N
+O=[N](=O)C1=C(N=CC(=C1)C#N)NCCCC2=CC(=NC=C2)OC,0706943CEE619F12_083742B8372A7857_6041_UN,8.031395,00000000000000000000000010000000000000100100000001000000100000010100001100000101101000000010111001101010100000110100011111101111001001010100001111111011010111111111110,HLDRKYIGPNAOHF-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NCC3=CN=C(N2CC(C)OCC2)C=C3,56062D8A18D6D89B_4C9690A7AF90789A_6041_UN,8.030974,00000000000000000000100000000010000000100000000000000000010000100100000000110100101001100010010100101000000011011001101011100100110011010110011011011111110111101111110,BFJAJDDKUDTUFT-UHFFFAOYSA-N
+CCC1=CC=C(S1)[S](=O)(=O)NC2=CC=CC(=C2)CN(C)C,8E9DAB04B836D6EC_C52ED8611D264958_6026_UN,8.030645,00000000000000000000000000000000110010000000000000010001001111001001010001100000010101101001011010001010001000001011010000101100001001011100011000001101010110111111110,FEXFIWRVAVFEPI-UHFFFAOYSA-N
+O(C(=O)C2CC1=C(C=CC=C1)N2)CC3=C(N(C)C)C=CC=C3Cl,512BAC2C75719BF4_EC78A079C1A531FB_6031_UN,8.030323,00000000000000000000000000000000000000000000000000000000000000000000000000100000000101110011010111000101110111010000000001110110100001110100001011001111011111111111110,NCDRZOILPJCRSO-UHFFFAOYSA-N
+N1CC(F)(F)CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N,03624F53E9C48921_A608155371259BE9_6035_DP,8.030302,00000000000000000000000000000000000000000110000000000000000000100000000000000000001100010011000110001000100101011100000001000111110000100110001101000001110111100111110,SRNBGQLYHVIKTK-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NCCC3(CSC)CC3,606138DAC46C5AF6_1642AF6E6F1DAD43_7022_UN,8.030173,00000000000000000000001000000000000000000000000000000000000000000010000000000000001000111001010000001101110110011001001000000100110001110010000011010011010110101111010,MRSOVAXAVSAESJ-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@H](CC1)OC3=C2C(=CC=C(C2=NC=C3)F)F,568BF449A944ED9A_6DE7443F35A1CD40_6035_UN,8.030161,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001110000010011100100010110010100101001100111010011100100001101011100100011101111110,ADBHHLBURWBCNS-MNOVXSKESA-N
+COCC(OC1=C(C=C(CCNC)C=C1)Br)CN2CCOCC2,E40A30D674CAB5D7_EFFB94C6DC8F2212_6035_UN,8.030159,00000000000000000000000000000000000000000000001000000000010000000000000010010000001001110000010101101000100111010101101011100011110010100110001111111111110101111111110,AJNILLCNEUYZBH-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=C[N]2CC3(CN)CC3)C4CCNCC4,86CCEA92D56301D7_B2B585FB2C578849_6034_DP,8.030133,00000000000000000000001000000000000000000010000000000000000000100110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,SIAXXCCTBKPOND-UHFFFAOYSA-N
+NCCCC1=CN(C2=C1C=C(C=C2)F)CC3(F)CNCC34CCC4,3EDAD84DD6FF427D_CE4DA6B0F7A3EA58_6034_UN,8.029543,00000000000100000000000000000000000000000010000000000000000000000110000000010000101111110011000010001100110100011000001011100100110100100110001000011001010110100111010,ZVWJLWHWWXLEPL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(=O)C[S]2(=O)=O)NC3=CC=C(C=C3)OC4=CC(=NC=C4)C#N,5A54083392EAC1B8_9D3EAB5D0635A1E1_6041_UN,8.029281,00000000000000000000000000000000000010000100000000010001001111000101000001000001010100001100000011100110010000001100000011001111001011011100101111101001111011110111110,IOFBPBSHJZRWJE-UHFFFAOYSA-N
+COC2=C1C=CN=C(C1=CC=C2)NCC3=CC=CC(=C3)[S](N(C)C)(=O)=O,651EFC80518061A3_AF27F392BF231BD8_6041_UN,8.029254,00000000000000000000000000000000110000100000000000010001001111001101000001100100011000101000011000101110011000001100010001101111001001011100011101101101110111111111110,OQUCDSZTSMSSPE-UHFFFAOYSA-N
+NC1C2=C(CCC1)C4=C(N2CCN([C@H]3CCN[C@H]3C)C)C=CC(=C4)Cl,D84E01D2097DA9A4_29DA14DA9381A5E0_6034_UN,8.028536,00000000000000000000000000000000000000000000000000000000000000000100000000010001101111110011010010001101110110010001101011100100110101100110001011011111010110101111010,YKZBCQRUUUYUCP-VCMPKCBFSA-N
+COC3(CCOC1=CC=C(C=C1)C[C@@H]2COCCN2)CCC3,8648133245C0ABCD_11F541C3F8DE5857_6035_UN,8.02809,00000000000100000000000000000000000000000000000000000000010000000010000000000000001000100101010100101000100011011100101011000011110010000110000101110001110111111111110,BNJLFUDUTKFSCX-MRXNPFEDSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NC[C@@H]3CNC[C@H]3C,749288B468002C18_0DCC7C87D02C54D2_6041_DP,8.02778,00000000000000000000000000000000000000000010000000000100010000100010000000000000101100110011000010101000000111001001101011000000110111110110001001010011010111101111110,ZKQRGBHIXQKWRP-KGLIPLIRSA-N
+O(CC2(CC1=CC=C(C=C1)F)CCNC2)C3=CC(=CC=C3)C#N,A2FC0DDAD90B2999_B57898D5581AA55A_6035_UN,8.027407,00000000000000000000000000000000000000000110000000000000000000000010000000000000001100110011000011001000100101011100001001000111110000100110001101010001110101100111110,FSYUVWDMOKHXJA-UHFFFAOYSA-N
+O(CC1(CC#N)COC1)CC2=CC=CC(=C2)C(F)(F)F,9E48B22E5CBD35DA_FA99B18A24F2648E_6039_UN,8.026685,00000000100100000000000000000000000000000110000000000000010000000010000000000000000000100100000000000000001101011000000000000010100000100110000000000000010101010111110,JDWFZGORVFPUGN-UHFFFAOYSA-N
+COC[C@H](OC1=CC(=CC(=C1)F)C2CCCNC2)CF,41FC5FB651F6F3B3_5DA0F223B06DC6FF_6035_UN,8.026487,00000000000000000000000000000000000000000010000000000000000000100000000010000000001000110011010000101000100111010101001001000011110010100110000101010001110101111111110,KAGRWIMRRZDQHG-JOPIAHFSSA-N
+CO[C@@H]1CNC[C@H]1OCC2=CC=CC(=C2)SC(F)(F)F,34F85C9CBFD045F4_C68AEAB044808181_6039_DP,8.026111,00000000000000000000000000000000000000000010000000000000000100001000000010000000011100101001010111001000001111001000100001000011110010100110000100000011110101111111110,DMHCKMSQQBDSMY-VXGBXAGGSA-N
+COC2(C[C@@H]3CC(COC1=CC=C(C(=C1N)F)Br)C[C@H]23)OC,AAFEAA78D7BBDDFC_8914ABD41B873F8E_6035_UN,8.02608,00000000000100000001000000000000000000000010001000000000000000000000000000000000000010010001010110000000010111001100100000010011110011110000000110100111110111111111110,DJJJLMBBFMCNMY-DVRYWGNFSA-N
+COC2(C[C@@H]3CC(COC1=CC=C(C(=C1N)F)Cl)C[C@H]23)OC,ABD6871D035549D5_01D95B4CFB8D8AE7_6035_UN,8.026059,00000000000100000001000000000000000000000010000000000000000000000000000000000000000010010001010110000001010111001100100000010011110011110000000110100111110111111111110,KVCHJCAPACGFQV-DVRYWGNFSA-N
+N4C[C@@H](OCC1=CC(=CC2=C1OC(OC2)C3=CSC=C3)F)[C@H](CC#N)C4,CD6FDE4EA18427F1_B6F198CE4761CCA1_6039_DP,8.025835,00000000000000000000000000000000000010000110000000000000010000100000000000000000001100111111000111101100010101010100000011010111110010100110001111100011110101110111110,VSSDKUINKIUNBF-GSYVCCIMSA-N
+CN(C)CC2=C1C=CC=CC1=CC=C2OCC3=CC=C(O[S](F)(=O)=O)C=C3,5E3BF3501425AA86_FDE129CF25366EBB_6039_UN,8.025661,00000000000000000000000000000001000000011010000010000001001011000001000001100000000001101000010001001110011101001101000000101111101000101010100111101110110101111111110,LBCZDHLGJLMLDX-UHFFFAOYSA-N
+CN1C(=C)C(C)(C)C2=C1C=CC(=C2)NCC(OC)C3CCCO3,9AAF30195EA0889A_91988E390A96AEA4_6041_UN,8.02499,00000000000000000000000000000000001000000000010000000000010000000010000010111000001101000001010111011100010011001000101011100010110011010110011010011111110111111111110,CCWPHBZRMQTDRF-UHFFFAOYSA-N
+CC(C)(C)C4CCC1=C(C3=C(N1CCC2CCCNCC2)C=CC(=C3)Cl)C4,E1757B413D9B44ED_9790F9D6D0E1856F_6034_UN,8.024643,00000000000000000001000000000000000000000000000000000000000000000110000000110000001101110011000010001101110110011000101011100100110000100110011011011101010110101111010,YTJADQHHVYWHCD-UHFFFAOYSA-N
+FC(F)OC1=CC2=C(C=C1)N(C=C2)CC3(CCOC)CC3,9EC129AA0437B9E9_A5436C7B52C835E8_6034_UN,8.024574,00000000000000000000001000000000000000000010000000000000000000000110000000010000000101100000010010001100011101001101101001100111110010100110000100011000110111111111110,CAABDRQMBMQMSZ-UHFFFAOYSA-N
+COCC(OC1=CC=CC(=C1CN)Cl)CN2CCOCC2,0E97EF662E3D7E76_87E5677829463A1C_6035_UN,8.024278,00000000000000000000000000000000000000000000000000000000010000000000000010010000001011110000010101101001000111010101001011100011110010100110001111111011110101111111110,MLHDVCQHIQOKCA-UHFFFAOYSA-N
+COCC(OC1=CC=CC(=C1CN)F)CN2CCOCC2,611984B93EEAC7E0_2F2739B13E5355D2_6035_UN,8.024262,00000000000000000000000000000000000000000010000000000000010000000000000010010000001011110000010101101000000111010101001011100011110010100110001111111011110101111111110,AVOXNKCBCXPLQI-UHFFFAOYSA-N
+COCC(OC1=CC=CC(=C1CN)Br)CN2CCOCC2,1A6EB842D0D6385E_9263C17A87181CA8_6035_UN,8.024261,00000000000000000000000000000000000000000000001000000000010000000000000010010000001011110000010101101000000111010101001011100011110010100110001111111011110101111111110,CJFUFOXQKHKKGL-UHFFFAOYSA-N
+O[C@H](CCl)C1=CC=C(C=C1)NCCN(C)CC2COCCC2,380BE33DA4D95F8F_1148A56C08F1D11D_6041_UN,8.024203,00000000000000000000000000000000000000000000000000000000010000000000000000000001001001100001010001101001100011010001101000100000110111110111001001011001110111111111110,IYSHKUUZPUSGOL-FBMWCMRBSA-N
+O([C@@H]1COC[C@H]1N2CCCC2)CC3=C(SC(F)F)C=CC=C3,B9D988AB9AACA5D2_1F50E6832E5B5308_6039_UN,8.024179,00000000000000000000000000000000000000000010000000000000010100101000000010010000010101101100000111001000001101010000001011100011110011100110000110011010110111110111110,MMPVMMNORUPILJ-ZIAGYGMSSA-N
+CC1=C(C=CC(=C1)OC(F)(F)F)OC[C@H]2[C@H](N(C)C)CCC2,25F9B73D653061A3_F8D298594077A60A_7022_UN,8.023576,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001100000010011000000001111011100101000100011110001100000010110011110110111111111110,FHKZGACTONOSKZ-GXTWGEPZSA-N
+CN1CC2=C(CC1)C(=CC=C2OCCOCCOCCOC)F,173F9D6F675C9D2F_B3B905A39ECE883D_6039_UN,8.023404,00000000000000000000000000000000000000000010000000000000000000000000000010010000000001110000010001101100010101010101101001100011110010100110100111111100110101111111110,SNLORGPTAIBVEJ-UHFFFAOYSA-N
+CCOC1=C(C=C(C=C1)F)NC3=C2C=CC=NC2=C(C=C3)[N](=O)=O,D71DA8813955417E_66C8D9C3EA1F0325_6041_UN,8.022912,00000000000000000000000010000000000000000010000001000000100000010100001100000001100000010001001101100110010101000110000101101111001001110100001111101011110111111111110,YNKHDARYHLDLSV-UHFFFAOYSA-N
+O(CC2CCN(CC1=CC=CO1)CC2)CC3CCC(C)(C)CO3,1366E99A45D94CE4_0721970066977995_6039_UN,8.02215,00000000000000000000000000000000000000000000000000000000010000000010000010110000000101100000000110101000000001011001101011100010110010000110000001111100110101111111110,OLGFBSSQACIFKU-UHFFFAOYSA-N
+N2CCC(OCC1=CC=C(C#N)S1)CC2C3=CC=C(C=C3)F,EFDCA66BFE35DD0D_6FB38066A041A43A_6039_DP,8.022079,00000000000000000000000000000000000010000110000000000000000000100000000000000000011100011001000011101000100101010000001011000111110010100110001101010001110111100111110,KVJRXNYYPMPYES-UHFFFAOYSA-N
+FC(F)OC1=CC(=CC=C1)C=C[C@@H]2CCO[C@H]2C3=CC=N[N]3C,2B3599C7507F295A_FE461A9D74216CB4_7019_UN,8.021915,00000000000000000000000000000000000000000010000000001000010000100100000000010000100100000000011111010000001101000100001011101111000010100100001110011010110011111111110,RPUSVYXIKNFEHF-CZUORRHYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=C[N](CC)C=C3,1094BF07A24EE09F_039FE152753A4D18_7022_UN,8.021358,00000000000000000000001000000000000000000110000000000000000000100110000000010000101101010000000010001000000100001010000001100100100001110110001010011011010110101111010,OPKQWXJBVJPNOZ-UHFFFAOYSA-N
+CN(C)[C@@H]3CCC[C@H](OC1=C(C)C=NC2=C1C=CC=C2)C3,BF6C19802FF2ABF8_0E41B2A2BD22BD8E_6035_UN,8.020945,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001100000010001100100010010010100101001100111110011000100011111011110100011101111110,KTTAJPVYWCHPSV-CABCVRRESA-N
+C[Si](C)(C)C1=CC=C(C=C1)OCC2=CC=CC3=C2CCNC3,D2F5E8E2F74C59A2_1F05BE9B2F3F59DF_7022_DP,8.020784,00000000000000000000100000000010000000000000000000000000000000000000000000100000001000100001010000101100110001011100001001000111110000000110010111011101110101101111110,NQPSTCZVWJSEJU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F)NC3C(OCC)(OCC)C4=C(CC3)N=CC=C4,867E201C8CB6DCB3_4F622FB633BB440A_7022_UN,8.02021,00000000000000000000000000000000000000000010000000000000000000000100000000000000000000000011000101100100111101011110001001010111100001110110001111110111110111111111110,HIBUMFBUIKFLET-UHFFFAOYSA-N
+O(C1CCCNC2=C1C=CC=C2)C3=C(C=CC(=C3)C(N(C)C)=O)C,1126EA0BBAC1311E_9EAB42EFC586069D_6035_UN,8.020152,00000000000000000001000000000000000000000000000000000000000000000000000000100000001001100011110001001100110000110100011001100111000010010100011111011111111011111111110,HCECEQHYQAJOGC-UHFFFAOYSA-N
+CC(C)C1=CC=C(C=C1)[C@@H](C)OCC2OCC3CCOC23,36AF9948813A04AD_7F471CEAB53E9F2D_6039_UN,8.019742,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100000100000010000100010001000000101010000010110010000110010000110100110101011011110,UZEKAYFRLDIMQZ-PFQBFTEQSA-N
+C2(=C1C=CC=CC1=CC=C2Cl)NC[C@@H]3CC(CN3)(C)C,3148038227619180_9ADB492A77F417F7_7022_DP,8.019476,00000000000000000000000000000000000000000000000000000010000000000010000000100001001100010011000010001101110110011001000001000100110101110110001011000111010110101111010,DHPKYRODIBHKPM-ZDUSSCGKSA-N
+CC(C)(C)C2=CC1=C(C=CC(=C1)F)N2CC3(F)CNCC34CCC4,72EB9A665E3FF96A_2C9ADFCBDE744103_6034_UN,8.019357,00000000000100000000000000000000000000000010000000000000000000000110000000110000101101110011000010001100010110001000001011100100110000100110011010011111010110101111010,AORYPSOQGKCABP-UHFFFAOYSA-N
+C1NCC2=C(C1)C4=C(N2CCC3CCN(C)C3)C=CC=C4,F687D068673CBB53_9FC23FA41763264E_6034_UN,8.018877,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101100001010010101100110010010001101011100100110000000110001011011001010110101111010,UCQQLNDPVBCARZ-UHFFFAOYSA-N
+N1CC(C1)(C#N)C2=NC=C(C=C2)NCCC3=CC(=C(C=C3)F)F,5303E4F3E61BB423_07B8F904A03B89C6_6041_DP,8.018666,00000000100100000000000000000000000000000110000000000000000000100110000000000001101000110010000000101000100100011000001011000100000101110110001011010011010110100111010,MBUKBYMTUDDTJH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC[C@@H]2N=[N]#N)NCC3(CNC3)COCC[Si](C)(C)C,8F29B233B102015A_9006BFB45121DC9F_6041_DP,8.018553,00000000100100000000100000000010000000000000000001001100010000000010001000100100101000100010011001101100010001011101101111001010111111010110011011011101110111111111110,QKSMQWRUTPSHMF-KRWDZBQOSA-N
+N3CC(OC1=CC2=C(C=C1)C(=O)CCC2)(C3)C4=CC(=C(C=C4)F)F,50E1A4AA3C7A8EB3_E6CF411B27355AA6_6035_DP,8.018051,00000000100100000000000000000000000000000010000000000000000000100010000000000000001000110010000100001100010100001100001001000111100010100110000111010011111001110111110,PUKWHGDTYMAOBS-UHFFFAOYSA-N
+NCC1=CN(C2=C1C=CC(=C2)Cl)CC3(F)CNCC34COC4,A8B832F519191D06_C959BBDD8B5C0AAB_6034_UN,8.017904,00000000100100000000000000000000000000000010000000000000010000000110000000010000101111110011000011001101010101001000000011100100110100100110001000001001010111100111110,CEBAULJSXJCOKX-UHFFFAOYSA-N
+C1(=NC=CC(=C1)C#N)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3,0719BC86631A20C1_77401C42A20E7C40_6041_UN,8.017874,00000000000000000000000000000000000000100100000000010001001111001101000001000100111000001000110001101010000000101100010011001111001001011100001111101011110111111111110,KNVDUVWTXPTNQZ-UHFFFAOYSA-N
+C1(=C(N=CC=C1)CC2(CC2)C#N)C3=CC=CC(=C3)COCCOC,E9605303D6EF8E36_1868662B08D33157_6004_UN,8.017675,00000000000000000000001000000000000000000100000000000000000000100110000010000000000000100000010000100000000001011001101001000110010010000110001011010010010111011111110,XQRMEMMZPLGXSK-UHFFFAOYSA-N
+C(#CCN1CCOCC1)C3=CC=C(CC2(C)NCCC2)C=C3,E29882486789F847_E6A989E334FB3158_2267_UN,8.017053,00000000000000000100000000000000000000000000000000000000010000000010000000010000001101100011000110101000100011011001101011100000110010000110001001011001010111101111110,BIRGJLJTXCBWTB-UHFFFAOYSA-N
+N3CCC1=C(C(=CC=C1)NCC2=CC=C(CN(C)C)C=C2)C3,1441B9DC6A07DC56_90199CADC8E70ED5_6041_DP,8.016954,00000000000000000000000000000000000000000000000000000100000000000000000000100000101001100011010000101100110000010001001001100100110101010110001011011101010110101111010,XJNWFKXQFWAVJC-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NCC2CCN(C2)C3CC3)F,A8462743298FD035_2067D24A5790125A_6041_UN,8.0169525,00000000000000000000001000000000000000000010000000000000000000100000000000110000101101110011010010001000000100010001001001100000110001110110001010011111010110101111010,YZVVHEGBEMJOJF-UHFFFAOYSA-N
+CCN3CCC1=C(C(=CC(=C1)NC2=CC=C(CSCC)C=C2)F)C3,7DF9E911A136A0EE_77607CE2C1773983_6041_UN,8.016006,00000000000000000000000000000000000000000010000000000000000000000000000000010000000001111001000000101100010110010010101001100100110001110110001011011101010110101111010,CYLLRTVZIYQWDM-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)CC#N)CC3CNCC(O3)C(F)(F)F,DB4127F997403383_3E804F555A093F5D_6034_UN,8.015171,00000000000000000000000000000000000000000110000000000000010000000100000000010000101101100010000110101100011100011010000011100100100010100110001001001001110111101111110,NBEVCIFEVFVFDM-UHFFFAOYSA-N
+CCN3CCC1=C(C(=CC(=C1)NCCSC2=CC(=C(C)C=C2)C)F)C3,CCA9AEA21C376724_BA3A0D234ABE6775_6041_UN,8.01502,00000000000000000000000000000000000000000010000000000000000100001000000000010000011001111001000000101100110110010010101001100100110001110110011011011111010110101111010,ZLYRGWSLTFTNDB-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NC2=CC3=C(C=C2)OCCC3,AA9B6F41122E38DA_07467E5A4D64DA64_6041_UN,8.014835,00000000000000000000100000000010000000000000000000000000010000000100000000100001000000100001010000100100010001001100001011000100100011010100011011011111110011101111110,BPIWDDUQDHGAIR-UHFFFAOYSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NCCC3=NC4=C([N]3C)C=CC(=C4)F,0EE5702CE680A456_2EDECB0739CB88AD_6041_UN,8.014666,00000000000000000000001000000000000000100110000000000000000000100110000000010101101101010001010010101100110110011000101011100100000001110100001011011011010110101111010,RPRNTAQOTWDVQL-UHFFFAOYSA-N
+O=[N](=O)C1=C(C(=CC(=C1)NCC2=CC(=NC=C2)OC)F)C#N,EFBD270460215544_71276BB432A6FAB2_6041_UN,8.014433,00000000000000000000000010000000000000000110000001000000100000010100001100000000101000010000111000101010000100100100010101101111001001110100001111101011010111111111110,YZBADJQKMAAVJS-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NC2=CC(=C(C=C2)F)N3CCOCC3,1F3A691EE032F202_01E6197C74D8EBD2_6041_UN,8.01413,00000000000000000000100000000010000000000010000000000000010000100100000000110001100001110000010100101000000101011000001011100100110011110110011011011111010011101111110,MUZVZGVBVVHWJD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C(F)(C(F)(F)F)C(F)(F)F)N(OC)C2CNC2,0946EA099621D09E_5661FA0BC3750113_7022_DP,8.013337,00000000100101000000000010000000000000000010000000000000000000000010000100000001001000100010011001001010001110011000000001101010000001110110001000001001010011101111110,TVNWWQVNMTXMPZ-UHFFFAOYSA-N
+IC2=CC1=C(C=CC=C1)[N]2C[C@@]34CCN(C)C[C@H]3CNC4,3C0948594C5383AB_1D156ACE4AB6D6F8_6034_DP,8.013053,00000000000000000000000000010000000000000000000000000000000000000110000000010000101101110011010010101100010110011001101011100100110000100110001011011011010110101111010,FXVPGDZRVDZYOK-PBHICJAKSA-N
+O(CC1=CC(=CC=C1)C2=CN=C(C=C2)C#N)CC3COCC(C)(C)O3,C521CF8D7C13C174_71A012EAAFE0D68D_6039_UN,8.012731,00000000000000000000000000000000000000000100000000000000010000100110000010100001000000100100000000100000000011001001000011000110100010000110001001100100110111011111110,CTBUWRLZKYJTMX-UHFFFAOYSA-N
+CC3(C)CCC(OCC1=CC2=C(C=C1)C=CN=C2)(CC3)C#C,E2985212FCEF90E3_A17C8049AC816A85_6039_UN,8.012008,00000000000000000100000000000000000000000000000000000000000000000110000000100000000000000000000000100100010001001001101001000111110010000100000101010100110101001111110,MUCQUHBBOUEOMT-UHFFFAOYSA-N
+C[N]1C=CC2=C1C=C(C=C2)NC4=C3OCCCC3=CC(=C4)F,F151CB4C6E1D15F5_8B3E0327E71E50C4_6041_UN,8.011934,00000000000000000000000000000000000000000010000000000000010000000100000000010000100101010001010110100100010101000100001011100100100011110100001011011001110011101111110,YFLYKCMWLKGCSG-UHFFFAOYSA-N
+O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC(=C3)CCN,8AEBEB80C462BCB6_8DF108B38E696219_6035_UN,8.011695,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110100011000111001000101100011100001001000111010110100110001101010001110101100111110,HVUPKZLBGUHLFD-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)F)C)NCC3(CNC3)C,9810F6C084496B26_6F4C2E11398D8372_6041_DP,8.011532,00000000100100000000000000000000000000100010000000000100000000000110000000000100101000110010000000101100010110001001000011000100100101110110011011000111010110101111010,WAYRZRFPWFYTGI-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=C(C=C2)F)CCC3CCNCC3,D78AF725296698AF_2F872D82472FDE5D_6034_UN,8.01105,00000000000000000000000000000000000000000010000000000000000000000110000000110000001111110001000010101100110100011001001011100100110100100110001001011101010110101111010,MIFPRLRNQKFDEX-UHFFFAOYSA-N
+CC(C)(N)CC1=CN(C2=C1C=C(C=C2)Br)CCC3CCNCC3,89194D15A865FBC0_BFF0B0675228EDD8_6034_UN,8.011043,00000000000000000000000000000000000000000000001000000000000000000110000000110000001111110001000010101100110100011001001011100100110100100110001001011101010110101111010,HJLFWQUPZYWWDJ-UHFFFAOYSA-N
+COC3CN(C)C(C)(COCC1=NCCC2=C1C=CC=C2)C3,06639561A701BEB7_B967567741D86EEF_6039_UN,8.010968,00000000000000000000000000000000000000000000000000000000000000000010000000010010000101100000010111101100010011011001101111100011110010000110011111011110110111111111110,NLDXLEJGBRBWDK-UHFFFAOYSA-N
+FC1=CC(=CN(C1=O)CC2(CCNCC2)CC3=CC=CC=C3)Br,81177474BDB48801_02B30719F9ABB166_6034_UN,8.010697,00000000000000000000000000000000000000000010001000000000000000000110000000010000001001110001100000101000100100111100011011100101110000100110001111011011011110100111110,VXULFKHNQZGGJA-UHFFFAOYSA-N
+CCNC4CCC1=C(C3=C(N1C[C@H]2NC[C@H](C2)F)C=CC(=C3)Cl)C4,CE3A9F72F7EF5579_58808BA6E6A1283B_6034_UN,8.010447,00000000000000000000000000000000000000000010000000000000000000000100000000010001001101010011000010001101110110010010001011100100110101100110001011011001010110101111010,YRUDMTLMSOYZRD-LWEDLAQUSA-N
+CCNC4CCC1=C(C3=C(N1C[C@H]2NC[C@H](C2)Cl)C=CC(=C3)Cl)C4,3F9D1EED0AD64139_B28331DC2AEB370F_6034_UN,8.010446,00000000000000000000000000000000000000000000000000000000000000000100000000010001001101010011000010001101110110010010001011100100110101100110001011011001010110101111010,GNQXGWSZQVSJKS-LWEDLAQUSA-N
+CC1=C(N(C(=N1)C2CNCCC2)CC4(CC3=CC(=CC=C3)Br)CC4)C,A738E47FAFC3EED0_B5A17B4E7534A1A7_6034_UN,8.00988,00000000000000000000001000000000000000100000001000000000000000100110000000010101101101110011000010101000100110011000101011100100110000100110001011011111010110101111010,SWCLNIPIIQNKGG-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)N4C3=C(C=C(OC)C=C3)CC4,C7EF67405020391C_62805FB46B92C707_6026_UN,8.009854,00000000000000000000000000000000110000000000000001011001001111001001001001010100010100001000011010001110011000011100011101101111001001011100001111111000110011111111110,ZZBCPKGNGVHJIO-UHFFFAOYSA-N
+C[C@H](OCC1=C(C=CC(=C1)C)OC(F)F)C2CCC(C)(C)CC2,6678B81BFB5D2367_07B21F61D77DA037_6039_UN,8.0098505,00000000000000000000000000000000000000000010000000000000000000000010000000100000000000000100000000000000001111001101101000000011110000100000010111010110110101011011110,BWYSJRVCGNRNDG-AWEZNQCLSA-N
+COC1(CCNCC1OC2=C(C=CC=C2)CNC3=CC(=C(C=C3)F)Cl)OC,7B0BC378798F0364_A41DD20BA39BF483_6035_DP,8.009215,00000000000000000000000000000000000000000010000000000000000000000000000010000000001000110001010101101001100110011100101001010111110111110110001111110111110111111111110,LMDXTUVFFDIQMS-UHFFFAOYSA-N
+C1(=C(OC=C1)Cl)N(OC)C2CCCOC3=C2C=CC(=C3)C,64B4358DA7BCE167_6363779D45CBD87F_7022_UN,8.0091305,00000000000001000001000010000000000000000000000000000000010000000000000100000000000100010100011111000111010111010100001010101110000011110100000010111110110011111111110,JMBPGYHJKDFLHU-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)SCC3(CN(C)C)CC3,0E69C91129F9A2AB_56DB1D4D56736807_7022_UN,8.008996,00000000000000000000001000000000000000000010000000000000000100001010000000100000010001111000010000001000000111001001001000100011110010100010000101011100110101101111110,WZRVKZXITHVPIY-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C)C=C1C2CNCC2)Cl)C(F)(F)F,2D2B2BA901F4A3E9_57E5C0C786D281A8_6035_UN,8.008785,00000000000000000000000000000000000000000010000000000000000000100000000000100000001101110011010110001001101100011101001001100011010010100110011110011111110101101111110,LVHUPAVKFFMHBO-UHFFFAOYSA-N
+N(CCOCC=C)C(CC2=CC1=C(N(C)CCC1)C=C2)=O,E672A8EC9365E6C6_34FDCA873DF80901_6038_UN,8.007267,00000000000000000000000000000000001000000000000000000000000000000000000000010000001001100001110100111100110011110001111001100010110010010110001011011001011111111111110,YSQUKYWVSRYTBB-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)NC2=CC=C(N=[S](C)(=O)C)C=C2)CC#N)OC,DF610F7303B509C6_F3C8BB1566B49356_6041_UN,8.006791,00000000000000000000000000000000110000000100000000010000001011000001000011100000000000101010011001000010000000011100010100001111001001010000011111101111100111111111110,CZMRWTBSEHTBAF-UHFFFAOYSA-N
+CN(C)CC1(CCCCC1)COCCCC2=C(F)C=CC=C2F,766E1540F15D3660_AEEEDF6B75DAEC99_6039_UN,8.006753,00000000000000000000000000000000000000000010000000000000000000000010000000100000000001110000010001001000000111001001001000100010110010100010000011011110010101101111110,MKXQDTSPQFGURR-UHFFFAOYSA-N
+C[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)NCCC2=C(OC)C=CC3=C2C=CC=C3,783A4F690C2AD59D_622F33F51AD3DA53_6041_UN,8.005245,00000000000000000000000010000000000000000000000001010001101111011001001101000000011000001000011001001110110010011100001100101111001001011000101111111111110111111111110,HFPKJLRPEORTCL-UHFFFAOYSA-N
+CC5(C)COC4(C[C@@H]3CC(OC2=C(C=C1C=CC=CC1=C2)Br)C[C@@H]3C4)OC5,D94AAEC15633DF5B_CA3E76071C2D7AEA_6035_UN,8.005226,00000000000000000000000000000000000000000000001000000000010000000010000000100000000000010100000010100100010101001101000010010111110010100110000111100110110001011011110,NTAWPQSDWFLJJT-DFNIBXOVSA-N
+C[C@@H](OCC1=CC=C(C=C1)CN2CCOCC2)C3CCC(C)(C)CC3,4E2C403A6C09DB47_FD88C151A13C35D2_6039_UN,8.005217,00000000000000000000000000000000000000000000000000000000010000000010000000110000000001100000000100101000000011011001101011100010110010000110010001011100110101111111110,YRNCXDXFLIVFDW-GOSISDBHSA-N
+CN(C)CC(OCC2CC1(CCNCC1)O2)C3=CC(=C(C(=C3)F)F)F,E70CABE6C426F442_8F61A1F086D6F68B_6039_DP,8.004081,00000000100100000000000000000000000000000010000000000000010000000010000010100000001001110001010101101000110101011001001011100010110010100110001011011111110101111111110,MXNJLGHXTJORTB-UHFFFAOYSA-N
+COC1(CC3(C1)CNCC(OC2=C(C(=CC(=C2)C)C)C)C3)OC,8065027E3DAAEAFE_D1833095C93AAEF1_6035_UN,8.003614,00000000000100000000000000000000000000000000000000000000000000000010000000000000001000100010010100101000010000001100100001010011100010000110010111100111110001111111110,WTDBIOGGVYODOI-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC(=CC=C2)CN3CCNCC3,C344E9A5A9DF0CC4_271765DB82B8AA96_6035_UN,8.003342,00000000000000000000000000000000000000000000000000000000000000000000000000110001001001100001010100101000100010010100101011100011110011000110001101011111110111101111110,IZTIZAIAKFWNIQ-RTBURBONSA-N
+C1(=CC=C(C=C1)CN2CCOCC2)NCC3C(CCCN3)(C)C,224507A622D26E07_DA8C4FA78576C687_6041_DP,8.003124,00000000000000000000000000000000000000000000000000000010010000000010000000110001001001100011000100101000100011011001101011100000110111010110001001011111010111101111110,XAHBDZIGQZZWEI-UHFFFAOYSA-N
+CN(C)CC(OC1=C(C)C=NC2=C1C=CC=C2C)CN3CCNCC3,30E02ECF68A1ADE0_D4D7C026E6710729_6035_UN,8.002728,00000000000000000000000000000000000000000000000000000000000000000100000000110001101001100001010101101100110010010101001011100111110010000110011111011111110111101111110,RWDZBDXWWJFKDG-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=CC(=C1)N[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)F)F,7D4F5D4B8F86B175_7297FA6B7595C465_6041_DP,8.002265,00000000000000000000000000000000000000000110000000000010000000100010000000100001001000110011000000101000100100011000001001000100110101110110001011010111010010101111010,HJDGUORDXLPKAU-YLJYHZDGSA-N
+CC4(C)C[C@@H](OC2=CC=C(CNCC1N(CC)CCC1)C=C2)C3=C(C=CC(=C3)F)O4,BFDDD78160B8687D_DCC5AA4355D4E553_6035_UN,8.002185,00000000000000000000000000000000000000000010000000000000010000000010000000110001001101110111000010101100010110011111101011100111110010100110011111011111110111111111110,DWHDXMJHFZIFPT-PIFIWZBESA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)I)Cl,C16A3B93926A0A00_CD3C55C16DFF035D_6041_DP,8.002079,00000000100100000000000000010000000000100000000000000000000000000110000000010100101001110011100001101001010100111000011011100100110101110110001011011011011010100111110,FIGYNDDOOATWFS-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)Cl)Cl,2A24B9BF4EF45F26_BD069F16B7970A93_6041_DP,8.002079,00000000100100000000000000000000000000100000000000000000000000000110000000010100101001110011100001101001010100111000011011100100110101110110001011011011011010100111110,ISLZMEXLFUARQL-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)Cl)F,7B5B205D35B198C6_A5E1D5B106EDCF6A_6041_DP,8.002079,00000000100100000000000000000000000000100010000000000000000000000110000000010100101001110011100001101001010100111000011011100100110101110110001011011011011010100111110,QNCHRDRVFWLBMT-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)I)F,5443C895F63CBFD3_08EC25A8FABA7278_6041_DP,8.002073,00000000100100000000000000010000000000100010000000000000000000000110000000010100101001110011100001101000010100111000011011100100110101110110001011011011011010100111110,CKDUAOYXRBHUDD-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)Cl)I,4AB8F9E707D43BB8_3ED436458E606C81_6041_DP,8.002063,00000000100100000000000000010000000000100000000000000000000000000110000000010100101001110011100001101001010100111000011011100100110101110110001011011011011010100111110,OMQREVJJPSOFIT-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)F)Cl,20E527257C3D2F24_70BA42327E63AE80_6041_DP,8.002062,00000000100100000000000000000000000000100010000000000000000000000110000000010100101001110011100001101001010100111000011011100100110101110110001011011011011010100111110,MIEZCULNLVXJKC-UHFFFAOYSA-N
+N1CC2(C1)CCN(CC2)C(=O)C3=CN=C(C=C3)NC4=CC(=C(C=C4)F)F,6AE2E1A73A0CFEAF_2125834D8F9CFE35_6041_DP,8.00206,00000000100100000000000000000000000000100010000000000000000000000110000000010100101001110011100001101000010100111000011011100100110101110110001011011011011010100111110,GQHYONIGULIBPV-UHFFFAOYSA-N
+CCC(C)(OC1=N[N](C)C(=C1)Cl)C2=CC3=C(C=C2)CCCC3,41F81BEF01DCAB08_CA5C1A6DBAC9C890_6035_UN,8.002049,00000000000000000000000000000000000000000000000000001000000000000110000000010000100100010000111111000101010100101111011011101111110010100100011111011110100111101111110,KPHDPEBIWKONMN-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)C)C(=O)OCCCCCN(C)C)OC,FBE19A8CF6B09046_90B8D4DAF7A35469_6031_UN,8.001475,00000000000000000000000000000000000000000000000000000000000000000000000010100000000001100000010000001000000011010101101000110011110010000010110110111110111101111111110,PCDHIAOFJCCBCM-UHFFFAOYSA-N
+CC1=C(C(=CC=C1)C)NCC#CC2=C3[N](N=C2C)CCNC3,ACAFE7A07BE7EC45_81B61A0A0E3D09EE_2267_UN,8.000976,00000000000000000100000000000000000000000000000000001000000000000100000000000001101100100001001010101100110010010000001011101100110101010110011011011111010110101111010,SOEVCWQHBABZGF-UHFFFAOYSA-N
+CN1CCCN(CC1)C2=C(C=C(C=C2)C#N)NCC4CCCC3(CNC3)O4,8B8C29F78960914B_66A60BAC871AE52A_6041_DP,8.000826,00000000100100000001000000000000000000000100000000000000010000100010000000010001101001100011010100101000010010011001101011100000110111010110001011011011110111101111110,YVDSWXPSYGBMPD-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)OCC2=C(C)CC(CC2)(C)C)F,33B1FC7C3A81A060_7CD118E8006B1DAF_7022_UN,8.0000305,00000000000000000000000000000000000000000010000000100000000000000010000000101000000001110000010000011000000111001101101000100011110000100010010111011110110101101111110,MBXAVUFJLOYCNT-UHFFFAOYSA-N
+CC(C)C1C=NC2=C1C=C(C=C2)N[C@H]3[C@@H](CCCC3)OC4=C(C=CC=C4)F,4BDBCD38E46AE5DE_C1DB5432904C9132_6041_UN,7.999957,00000000000000000000000000000000000000000010000000000000000000000000000000100010000100010011000110000100110100010100001101000111110011110100001111010111100011101111110,UYDXPSYCIMQDNH-QOYLUPDXSA-N
+O(C1CCCC1CC2=CC=CC=C2)CC4CC3COCC3O4,7BC0D4F0368C75C3_F8FA08809BC7ED9B_6039_UN,7.9996796,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100100100000010000100010001000000001010000011110010000110000100110010110101010011110,QBEFGIJQYRSOAM-UHFFFAOYSA-N
+COC1=C(C=C(C=N1)[N](=O)=O)NCC3=CC=C(OC2=CC(=CC(=C2)OC)OC)C=C3,D78A27272DC9ACA9_A9A32EBB294C5CA3_6041_UN,7.9996204,00000000000000000000000010000000000000000000000001000000100000010100001100000001101000000100111101101010000000100100010101101111001001010100111111101111110111111111110,FIDNZBKEEYHZNP-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NC3=CC2=C(N(C)CC2)C=C3)F,BF0E9453F1D78441_E6FF428E9780F65B_6041_UN,7.9992914,00000000000000000000000000000000000000000010000000000000000000000000000000110000000101110001010010001100010110010001101001100100000001110110011011011111010110101111010,ZKBVZOXNDSDKSV-UHFFFAOYSA-N
+C(N1CCNCC1)C3=NC2=C(C=CC=C2)N3CC4(F)CNCC45CCC5,CB57264209B9332A_E9A191B7C5680200_6034_UN,7.999119,00000000000100000000000000000000000000100010000000000000000000000110000000010101101101110011000010101100110100011000001011100100110100100110001011011011010110100111010,NDHCRSXHYYHQAT-UHFFFAOYSA-N
+CC2COC1=C(C=CC=C1)C2OCC3=NOC4=C3CCCCC4,4EBF8257231F8C3A_0B768C06F194C3D2_6039_UN,7.9990263,00000000000000000001000000000000000000000000000000000000010000000100000100000000000100000100001111100110010011010101001011001111110010000110000111110010110111011111110,ICKFFBANZFALQM-UHFFFAOYSA-N
+CC2=CC1=C(C=CC(=C1)Br)[N]2CC45OC3(CCNCC3)C(C4)(N)C5,6F6455451D47C931_FE9597D41B5ED96F_6034_DP,7.9983425,00000000000100000000000000000000000000000000001000000000010000000110000000010000001111110011000111101100110100011000101011100100110111100110001011011011110111101111110,MFILVCVJQKMWGL-UHFFFAOYSA-N
+CC2=CC1=C(C=CC(=C1)F)[N]2CC45OC3(CCNCC3)C(C4)(N)C5,155CB3BBC762C49B_355C3AFE83EFCB73_6034_DP,7.998207,00000000000100000000000000000000000000000010000000000000010000000110000000010000001111110011000111101100110100011000101011100100110111100110001011011011110111101111110,YOGQFVFULWZIJZ-UHFFFAOYSA-N
+CC2=CC1=C(C=CC(=C1)Cl)[N]2CC45OC3(CCNCC3)C(C4)(N)C5,634AB60A7261FCC5_A4C196B4D53E701F_6034_DP,7.9982014,00000000000100000000000000000000000000000000000000000000010000000110000000010000001111110011000111101101110100011000101011100100110111100110001011011011110111101111110,SNBQLFLTNHSUCK-UHFFFAOYSA-N
+COCC(OC1=CC(=CC=C1)CN2CCNCC2)C3(N)CC3,B25638877DDEE679_794564C8DAB47353_6035_UN,7.9976645,00000000000000000000001000000000000000000000000000000000000000000010000010010001001011100011010101101000100001011101001011100011110111000110001101011001110111111111110,WPZXTUYXENIXLD-UHFFFAOYSA-N
+CCC2=C1N(C=C(C1=CC=C2)C3=CCNCC3)CC4(N)CC5=C(CC4)C=C(C=C5)Br,72D9E89DB72F98C6_89F89DD1D8EDEE8B_6034_UN,7.997569,00000000000000000000000000000000000000000000001000100000000000100110000000011001001111110011000010111100110100011010001011100100110101100110001011011001010110101111010,RQRWAOSYJSAHDH-UHFFFAOYSA-N
+CC(C)(C)N3CC(OC1=CC(=C(C=C1)CN2CCCC2)Cl)C3,66EB568C0B5EB1CE_2F8184DBF1FD8EAB_6035_UN,7.9975224,00000000100100000000000000000000000000000000000000000000000000000010000000110000000101110000000110001001000100011100101011100011110010100110011110011110110111101111110,ZSRDMYSRBFTTHL-UHFFFAOYSA-N
+CC4(C)CCC1=C(N=C(C(=C1)C#N)NCC3=C2OCOC2=CC=C3)C4,279E2DC5E344A426_F512F833082B3723_6041_UN,7.9975166,00000000000000000000000000001000000000100100000000000000010000000110000010100100101100000001000011101100010001011101101011010100110001010110001011010111110111111111110,OIBMJQBTQSOFCN-UHFFFAOYSA-N
+CC1(C)[C@@H]4CC[C@@]1(C)[C@@H](OC2=CC(=C(C)C=C2C3CNCC3)Cl)C4,F387320AD0B730A0_A3E394A591405484_6035_UN,7.9971027,00000000000000000000000000000000000000000000000000000000000000100010000000100000001100110011000010001001110110011101101001000011110010100110010111010111110001101111110,HMMZPTLUCMKRGK-MRTAVJOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NC2=CC=C(C=C2)CCF,887ECDAD791D4756_629EAAEE3989D80C_6041_UN,7.996292,00000000000000000000000010000000000000100010000001000000100000010100001100000101000000000000111001100010000000100100011101101111001001110100001111111011010111111111110,LVAKTRJTTQQHMU-UHFFFAOYSA-N
+O(C(=O)CC1=C[NH]C2=C1C=CC=N2)CC3=C(N(C)C)C=CC=C3Cl,52442EF81BFFD24E_35A87D644D513AEB_6031_UN,7.9960613,00000000000000000000000000000000000000100000000000000000000000000100000000100100000101110011010011100101010111000000000011110110010011110100001011001111011111111111110,KKEVAKPUWWEFOX-UHFFFAOYSA-N
+COC1(CC5(C1)COC(COC2=C(C3=C(C=C2)C=CC=C3)CN4CCCCC4)C5)OC,F0D1830CB623C823_C93A03300A57AFF0_6035_UN,7.9954643,00000000000100000000000000000000000000000000000000000000010000000010000010010000000101100000010011101100010001011100101011110111110010000110100111111110110101111111110,VKOMQWNOBCSRNJ-UHFFFAOYSA-N
+C[C@@H](OCC1CN1CC2CC2)C3=CC4=C(C=C3)OCC4,62765E261800B530_CB02A66B078F3F16_6039_UN,7.995351,00000000000000001000001000000000000000000000000000000000010000000000000000010000000101100000000111001100010001010100101011100010110010000110000010011010110111111111110,DCKDVUVRMURYOZ-YAJMATIESA-N
+C(CCOC1CCCCO1)=CC2=C(C)C=C(C(=C2)C)C3OCCO3,98F54FE8C3A30C08_76086DD892A89EE5_7019_UN,7.995246,00000000000000000000000000000000000000000000000000000000010000100000000010000000000100000000000010110000000001000000001010010011110010000110100111110110010101011011110,PTNLMWORUURMAV-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)C(=O)O)NC3=C(OC2=CC=CC(=C2)N(C)C)C=CC(=C3)C,4C4A9AE64153C6E3_D4565263C2BC9C35_6041_UN,7.9948187,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001100000010101000000000000000100000000110111000101010001111111101111101011111111110,DZAVIDUQRLIHPV-UHFFFAOYSA-N
+COC2(COC1=C(C=C(CN(C)C)C=C1)Cl)CCOCC2,D0AB63D62146BC0E_01017F509BBEE0F2_6035_UN,7.994809,00000000000000000000000000000000000000000000000000000000010000000010000010100000000001110100010000101001000111001101101000100011110010100110010111111110110101111111110,ZHYYITMXOVZQJN-UHFFFAOYSA-N
+COC1=C(N=CC(=C1)[N](=O)=O)NC2=CC=CC(=C2)CSCCOC,3400F854DC1209A0_8A99D3ECB83521B4_6041_UN,7.994501,00000000000000000000000010000000000000100000000001000000100000010100001100000101000000101001011101100010000001000101101101101111011011010110101111111111110111111111110,JZNWYDZCGAOFPN-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=C(C=C2)F)NCC3(CCNC3)C(C)(C)C,EE6E6866F87C4011_7F60A7A8140524EA_6041_DP,7.9941483,00000000000000000000000001000000000000000010000000000100000000000110000000110101101101110011010010001100111110011000101011100100110101110110011010011111010110101111010,RYASBSLBAHESNO-UHFFFAOYSA-N
+N#CC1=CN(C2=C1C=CC=C2)CC3(C)NCC(C3)(F)F,28A4A1C2B9D00CEB_F26880AD7E8FCC2A_6034_UN,7.994116,00000000000000000000000000000000000000000110000000000000000000000110000000010001101101010011000010001100110110011001100011100100110000100110001000001001010110101111010,WYLORWPNKZJNJL-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CC2=CC(=CS2)COC)C=CC(=C3)Br)C4,1BFBF6E9863086FD_B7B9B5C3B6FF9E01_6034_UN,7.9938564,00000000000000000000000000000000000010000000001000000000000000000110000000110000010101111000010010001100010101011001101011100110110000100110010011011100010111101111110,XSLKEMKUGAKZQC-UHFFFAOYSA-N
+COCCNC1=C(C=CC=C1C2=CC(=NC=C2)OC)[N](=O)=O,102F6BEDC6656D0C_3745BAF4EE2368E8_6006_UN,7.9935226,00000000000000000000000010000000000000000000000001000000100000110100001100000001001000100000111101101010100001110101111101101111001011010110101111111111010111111111110,JRQDONZFJSJHAF-UHFFFAOYSA-N
+CC[C@H](OC1=C(C=CC=C1)CC2CCNCC2)C3=CC(=CC=C3)Cl,F3BB1535F9E58F1F_B8ADA710DDAB7F02_6035_UN,7.9920235,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000110001000000101001100100010110001001000111110010100110000111010011110101101111110,MQCOOOYPHRAMIR-FQEVSTJZSA-N
+CN1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C([N](=O)=O)C4=C3N=CC=C4)Cl,6B1C120E7929C629_8ADFFEDAB343695C_6003_UN,7.9918995,00000000000000000000000010000000000000000000000001000000100000110100001100010001100001110000011101101111010100010101101111101111111001110110001111111010110011111111110,NOOCPIXULJGVGY-UHFFFAOYSA-N
+O([C@H]2CC1(CCC1)OC3=C2C=C(C=C3)F)CCC4CCCNC4,63B823A766D4E174_C1E8BD403E50394A_6039_DP,7.991064,00000000000100000000000000000000000000000010000000000000010000000010000000000000001000110111000000101100110101011100001011000011110010100110000111010001110101110111110,SKLKUVVTAOASEL-IBYPIGCZSA-N
+C2(=C1OCCOC1=CC(=C2)CC#N)N[C@H](C)C3=CC=N[N]3C,303E81ED72971A1E_ACF77DCE37C8C29A_6041_UN,7.99063,00000000000000000000000000000000000000000100000000001000010000000100000010010001100100000001011111100100010001010100001011101100000011010110001011011111110111111111110,NSDAOHGLHQTDSP-LLVKDONJSA-N
+O(CCN2CCC1(COC1)CC2)CC3=CC(=CC4=C3OC(OC4)C5=CC=CC=C5)F,808423E4016DEC0B_C1F94BB75C4DCED5_6039_UN,7.9900856,00000000100100000000000000000000000000000010000000000000010000100010000000010000000001110100000100101100010101011100001011110110110010100110100011111000110101110111110,YOGVDIUHGBFIJE-UHFFFAOYSA-N
+N(C1=C(N=CC=C1)N2CCOCC2)[S](C3=CC=CC(=C3C#N)F)(=O)=O,7F6F2835A349AB6F_92A7EDB7717B1790_6028_UN,7.9895096,00000000000000000000000000000000110000100110000000010001011111101101010001010101010001111001001100101010001101011000011011101100111011111110001011111011010011110111110,HCFMKDLROHMVIS-UHFFFAOYSA-N
+COC1(CC4(C1)CNCC(OC2=CC3=C(C=C2)OC(C)C3)C4)OC,B66A3D139BF62684_364CFA184EF21107_6035_UN,7.9890814,00000000000100000000000000000000000000000000000000000000010000000010000000000000001100100010010110101100010000001101100011010011100010000110110111100101110001111111110,ZOVYPIDWLBNBJU-UHFFFAOYSA-N
+O(C1(CCNCC1)CC2=CC=C(C=C2)F)C3=C(C=CC(=C3)SC)Br,984B02CE7B400008_F28F313BEC0DDBEC_6035_UN,7.988512,00000000000000000000000000000000000000000010001000000000000100001010000000000000011000111001010001101000100100011100001001000111110010100110000111010011110101101111110,MATQCFRVXMWULP-UHFFFAOYSA-N
+CC(C)OC1=CC2=C(C=C1)CCC[C@H]2OCC4COC3(CCOCC3)O4,403B4D85D04CB655_1F879E24CAEAD1F0_6039_UN,7.987876,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100100100000010100100010001001100001010010011110010000110100111110100110101011011110,GVJPYARZJDZVFE-ROPPNANJSA-N
+CC(C)[C@@H]3C[C@@H](OCC2CC1(CCNCC1)O2)C4=C3C=CC=C4,644AA6F086E45636_97841F539A7C3CB7_6039_DP,7.987833,00000000100100000000000000000000000000000000000000000000010000000010000010100000001000100001000011101100110001011000101011000011110010000110000111010101110101111111110,BMYYUOAVECMKQA-AOWWOYQVSA-N
+COC2=C1C(=NC=CC1=CC=C2)NCCC3=CC(=C(C(=C3)[N](=O)=O)OC)OC,F4A922E44C9C4A98_700CFCC877951B25_6041_UN,7.987732,00000000000000000000000010000000000000100000000001000000100000010100001110000100001000000100011101101110110000010100001101101111001001010100111111111111110111111111110,PGBPOWGDKPTTMP-UHFFFAOYSA-N
+C[C@H](OCC2=NC1(CC1)CO2)C3=CC4=C(C=C3)OC(C)C4,FB73EAFB2DD7021E_DD1B9ACD9B036B9E_6039_UN,7.987359,00000000000000000000001000000000000000000000000000000000010000000010000010000010000100000000100110000100010001111101110111000010110010000110000010110100110111111111110,BTAMJAYODSKSLT-KIYNQFGBSA-N
+CC1=C(C=C(C=C1)C2=N[N](C=N2)C)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,0E81269DF3B60F2E_22D57AE5E08EC997_6041_UN,7.9873295,00000000000100000000000000000000000000100000000000001000000000100110000000110101100101100001011010000000110000011000100011101100100001010100011010001111000010101111010,NBSQUKIMZZAGQD-UHFFFAOYSA-N
+COC1(CC4(C1)CNCC(OC2=C(C=C(C=C2)Cl)C3=CC(=CC=C3)C(F)(F)F)C4)OC,0ADFEAE20A37B316_6F2BB458CC90B77F_6035_UN,7.9866543,00000000000100000000000000000000000000000010000000000000000000100010000000000000001000110010010100101001011100001100100001010111100010100110000111100111110001111111110,MZMNHFJPTOVOLE-UHFFFAOYSA-N
+CC(OC1=CC2=C(C=C1)CNCC2)(CN)C3OCCCC3,CF658803B86143B8_0FF4F298C43C7EDC_6035_UN,7.986435,00000000000000000000000000000000000000000000000000000000010000000010000010000000001010100001000101101100110011011101101011000011110110000110001111010001110101111111110,YMNROUQAIZNIGA-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)NC2CC3(CCC2)CCCC3,1C1A389AE4F79A63_FDE13442B2314EB8_6041_UN,7.9863024,00000000000000000000000000000000000000000100000000000000000000000010000000100000000000000011000010000000110000011000001000000000110001010000011011010111000010101111010,WRBZPVHNHRGOMB-UHFFFAOYSA-N
+C1(=C(C(=CC=C1)C#N)N=C=O)NCC2=CC(=C(OC)C=C2)OC,6DAEDEF3B7592927_50A86AA655A1D6A4_6041_UN,7.9858084,00000000000000000000000000000000000000000100000000000000000000000000000010000011101000000000010000001000000000100100010100000111000001010000001111100111111111111111110,IEQQNWNJMVHJCE-UHFFFAOYSA-N
+O(C(C1=CC=C[NH]1)C(F)(F)F)CCC2(CCNCC2)C#N,4876D8838403BDD3_070B111C668FA921_6039_DP,7.9858017,00000000000000000000000000000000000000000110000000000000000000000110000000000000001100100001000110101000101101011000001011000010110110100110001000010001110111100111110,KTBWHWYIKSCTND-UHFFFAOYSA-N
+CC(C)(N)C2=NC1=C(C=CC(=C1)Br)N2CC3(CCC)CNCC3,980A551F21922B93_90D06836267CE3EF_6034_UN,7.9854555,00000000000000000000000000000000000000100000001000000000000000000110000000110101101111110011000010001100110110011011001011100100110100100110011010011111010110101111010,QSSRDUQAFGRVGD-UHFFFAOYSA-N
+CN(C)CC(OC1=CC2=C(C(=C1)C(F)(F)F)CNCC2)CN,49D1E014A2C66987_38F4BF479F84C48E_6035_DP,7.9853916,00000000000000000000000000000000000000000010000000000000000000000000000000100000101011100011010100101100111110011101001001100011110110100110001111011101110101101111110,KLFUKDXMVWVKPJ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCCCC2=CC(=NC=C2)OC)CN(C)C,68A9FDC9129A584E_5F6FE693311F1E77_7022_UN,7.98538,00000000000000000000000000000000000000000000000000000000000000000100000000100000101001100010110000101000100000110101011001100111100001010110011111011111110111111111110,BZBKNOAJVIONKO-UHFFFAOYSA-N
+OC(=O)C2=C1OC=CC1=CC=C2NC4=C(N3CCN(C)CC3)C=CC(=C4)F,3A7AB13B9A8CE3CB_2952758CEC95B6E3_6041_UN,7.9850407,00000000000000000000000000000000000000000010000000000100010000100000000000010001000101110101010011101100010100010001101011110100110101110111001011111011111011111111110,TTWBGEZULUBORW-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CBr)NC3=CN=C(C2(OC)CCOCC2)C=C3,811C8CFB3BF57AD1_FA77EB1965F29A7E_7022_UN,7.984947,00000000000000000000000000000000000000000000001000000000010000100110000000000001000000100100010100100000000011001000101011000111110011110110001101010001110111111111110,HJZYVVAMIGGMOB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CF)NC3=CN=C(C2(OC)CCOCC2)C=C3,037476C161919D3C_C48C526E19450604_7022_UN,7.984913,00000000000000000000000000000000000000000010000000000000010000100110000000000001000000100100010100100000000011001000101011000111110011110110001101010001110111111111110,IAQGZAVZQSGWGT-UHFFFAOYSA-N
+CC(C)(OC2=CC(=C1OCCC1=C2)Br)CN3CCC(CC3)N,74C480A7630E80CA_3D8D4C5AD5581A35_6035_UN,7.984535,00000000000000000000000000000000000000000000001000000000010000000010000000110000100111110010000110101100110111011101001011100011110011100110001111011101110111111111110,PZDVIVRZLPZGTA-UHFFFAOYSA-N
+CN1C(CCCC1)CC=CC2=C(C)[N](C(=C2)C)CCN3CCOCC3,68423233E1406933_4F756666DA2A2FD4_7019_UN,7.9842405,00000000000000000000000000000000000000000000000000000000010000000100000000010001000101100000010110111000000011010001101011100000110010000110011011011110010111101111110,LAEAMTHNWATECS-UHFFFAOYSA-N
+C[C@@]3(COCC2=C1N=CC=CC1=C(F)C=C2)COC[C@@H]4CCCN34,C95B5E36463085FE_F02917B475821406_6039_UN,7.9841995,00000000000000000000000000000000000000000010000000000000010000000110000000000000000101110100000111101100010111011001101011100110110000100110001001011000010111111111110,RGRGVPVXLUJYBL-HNAYVOBHSA-N
+FC1=CC3=C(C=C1)N(C2=C(CNCC2)C3=O)CCC4(CN)CCOCC4,236FEE32265E4B4F_E994C2A86CA520A0_6034_UN,7.983836,00000000000000000000000000000000000000000010000000000000010000000110000000010000101011110011000001101100110101011100001011100101110110100110001111011001111111110111110,CUEBQSLOJOPUOT-UHFFFAOYSA-N
+CN3CCCN(CC1=C(C=C(C=C1)NCC2=CN=C(C)[N]2C)F)CC3,F94DA1245385B491_A0B9730E3911B8CD_6041_UN,7.983425,00000000000000000001000000000000000000100010000000000000000000000100000000010101101101110000010010001000000110010001101011100100110001110110011010011111010110101111010,YAOQNHXYJFFKOK-UHFFFAOYSA-N
+CCCC(OCC2OCC1(CCNCC1)C2)CC3CCCC4=C3C=CC=C4,578ABA0EB93DE34D_0B41F6EF09460DAB_6039_DP,7.9831495,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100001000010101100110011011011001011000010110010000110000011010001110101111111110,IHGJZZXWLJCXPC-UHFFFAOYSA-N
+FC1=CC2=C(C(=C1)F)N=CC=C2NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,34A0F3EA99895354_AF12BA1AD9ACF51B_6041_UN,7.9829197,00000000000000000000000000000000000000000010000000001000000000100100000000010001101101110011011010101100010110010001101011101100110001110110001011011111010110101111010,CIPRIDARTYODKJ-RNODOKPDSA-N
+FC1=C(C=CC=C1)C2=CN(C(=N2)C3CCCN3)CC[C@@H]4C[C@H](N)CC4,5F86D65381452880_D7E2598104924A20_6034_UN,7.982768,00000000000000000000000000000000000000100010000000000000000000100100000000010101001111010011000010001000100100010000001011100100110101100110001010011011010110100111010,SKNQITNTOXFZOG-QOYAAKSSSA-N
+CN(C)CC3(COCC1=COC(=N1)C2=CC=C(F)C=C2)COC3,0308166475616A92_25EF06804709A99A_6039_UN,7.981718,00000000100100000000000000000000000000000010000000000000010000100110000000100000000101110100110111001000000111111001010011100110100000100110001000101100010111111111110,ZREIFKFEUNHZBS-UHFFFAOYSA-N
+CN(C)[C@@H]1CNC[C@H]1OC3=C2C=CC=CC2=NC=C3Br,7942D5065CD11827_976EE807E3BF2BCB_6035_UN,7.9814873,00000000000000000000000000000000000000000000001000000000000000000100000000100001101101110001010111101100010110010100100011100111010011100110001111001111110011101111110,ZZKVZERTXBXEBX-ZIAGYGMSSA-N
+O(C2C1CCOC1C23CCCC3)CC4=NC5=C([N]4CC)C=CC=C5F,36C96287A8B9CD7B_F704C2E48430D0DA_6039_UN,7.9814434,00000000000100000001000000000000000000100010000000000000010000000110000000010101000101010100000110001100010111011010001011100111110010100110001110011010110111111111110,HQRPSGWFGDEJTC-UHFFFAOYSA-N
+COCCC1=CC=C(C=C1)NC[C@@H]3[C@@H](C2=CC=C(OC)C=C2)N(CC3)C,9B826820EAB95E04_CD6559C674433692_6041_UN,7.9811144,00000000000000000000000000000000000000000000000000000000000000100000000000010000101101100011010010001000000011010101101001100111110011010110011101011111110111111111110,SHQSQBKUEYSQPG-DENIHFKCSA-N
+CN(C)[C@@H]1CNC[C@H]1OC2=C(C=CC(=C2)Br)C(F)(F)F,6797379FA7ADAA3C_F46479DF00E8502F_6035_UN,7.9809465,00000000000000000000000000000000000000000010001000000000000000000000000000100001101101110001010111001000001110011100100001100011010011100110001110001111110011101111110,LMDXXANQPNCUAA-ZYHUDNBSSA-N
+COCC1=C(C=CC=C1N[S](C2=C(C=CC(=C2)OC)F)(=O)=O)F,15E07E0887456A71_94E0DC64FB0F5D9E_6029_UN,7.9808817,00000000000000000000000000000000110000000010000000010001001111001001010001000000010000111010011001000010001101001101010000001111001001111000100111101111110111111111110,FALZAOOADUVKSG-UHFFFAOYSA-N
+CN(C)C1CC(C1)OCCC2=CC3=C(C=C2)OCCO3,69F20B5A21F80F1D_94ADDAD0222615E0_6039_UN,7.9808493,00000000000100000000000000000000000000000000000000000000010000000000000010100000000001100000010001100100010001010100101010100011110011000110000111111100110111111111110,RZTYYSAPDBVPJC-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)CC#N)NC2(CNC2)C3=CC=CC=C3,0B7F06A88CA37192_B548E3F0B4C6FE8B_6041_DP,7.980571,00000000100100000000000000000000000000000110000000000010000000100010000000000001001000110011000000001000100100011000000001000100000101110110001011000011010110100111010,WGFCNQWXJIDGIV-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)N[C@H](C)C3=CN=N[N]3C,E92DAE820E409D27_775E03CD2DD093BC_7022_UN,7.9803276,00000000000000000000000000000000000000000010000000001000000000000100001000010101100100010001011010000000000101000000001011101111111011110100001111011111110111101111110,DECYMRRSZGEOIQ-CYBMUJFWSA-N
+COC(=O)C1=C(C(=CC(=C1)[N](=O)=O)NCCCC2=CC=CC(=C2)OC)F,D630F28A29F54FE0_78D25165EBB670A5_6041_UN,7.9799585,00000000000000000000000010000000000000000010000001000000100000010000001100000000101000010010011000001010100100010100001100111111001001111000101111111111111111111111110,IGJOYTFCDWBOOE-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC3=C2OCCC(C2=CC=C3)=O)CN(C)C,9EF96DBDFE5385D6_632B7327956A5875_7022_UN,7.9786186,00000000000000000000000000000000000000000000000000000000010000000000000000100000000001100101010101101100010011000101001000100111000011010110011111111111111111111111110,AYXUZROUIJGSHZ-UHFFFAOYSA-N
+COC1(CNCC1)COC2=CC=C(C=C2)CNCC3CC3,44739572A95E31B6_41D203AE254144D1_6035_UN,7.978424,00000000000000000000001000000000000000000000000000000000000000000010000010000000001100100011010111001000100011011100101001000011110110000110001100010001110101111111110,WAWDPBAONGDRTB-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)CCN(CC2)[S](C4=CC=C3N=CC=CC3=C4[N](=O)=O)(=O)=O,843B0E30A56BFCD3_5DA0D8D805A0360F_6029_UN,7.9767246,00000000000000000001000010000000110000000000000001010001101111011101001101010000110000101000011001101110011000011100011111101111111001011110101111111010110011111111110,VUTKAQBPAJFBJI-UHFFFAOYSA-N
+CC(OCC2=CC1=C(CCNC1)C=C2)(CC3CO3)C4CC4,DBF744116B8C53ED_2E3515C1EE0DD4D4_6039_DP,7.9763174,00000000000000001000001000000000000000000000000000000000010000000010000000000000001000100101000000101100110011011001101011000010110010000110000011010001110101111111110,FOFQGVFRWNTRHN-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C3=C2CCCC3N)CC4(CN)COC4,7943DA4F0DEBBDA3_499A7D34B389FAAB_6034_UN,7.97622,00000000100100000000000000000000000000000000000000000000010000000110000000010001101111100011010011001100110001011100001011100111100101000110001111011001110111111111110,KDJDYIVGTQHNBD-UHFFFAOYSA-N
+CC(C)(C)C2=CC1=C(C=CC(=C1)F)[N]2CCC3CSCCN3,1ED6284632F27739_5009518A0738A054_6034_DP,7.975157,00000000000000000000000000000000000010000010000000000000000000000110000000110000101101111011000010101100110110011000001011100100110000100110011011011111010110101111010,MXCKECLTKKMSGK-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C(=C2)C#N)N[CH]4C[C]3(C[C](C)(C3)C)C4,64BB14A273FD3A6E_D8867709C8A7CD07_6041_UN,7.9751043,00000000000100000000000000000000000000000100000000000000000000000110000000100001000100000001000010000100110010011001000001000100100101010100001000000101000010101111010,PVDLCXCCDZAOQT-UHFFFAOYSA-N
+CN2CCCN(CC1=C(C=C(C=C1)NCCNCCOC)F)CC2,8E577F8E8C804AF6_BE08F55DBB675F9C_6041_DP,7.9747696,00000000000000000001000000000000000000000010000000000010000000000000000000010001101001110001010100001000100111010001101011100010110111110110001010011111010111101111110,JJUJTLYWFPWWTF-UHFFFAOYSA-N
+CC[N+](C)(C)CC1=C(C=CC=C1)N[C@H]2CCCCNC2,D191BCB93FFB0949_FBB4948A7B369516_6041_DP,7.9744377,00000000000000000001000000000010000000000000000001000010000000000000000000100001101001100011010000001000100000011011101001100000110101010110011010011111010110101111010,JWYGVUGQDZWPDR-INIZCTEOSA-N
+C1(=CCCCCCC1)C(C)CCC2(CCNCC2)C#N,017BBD89917A433D_BA235D777E5047AA_6009_UN,7.9731054,00000000000000000000000000000000000000000100000000100000000000000010000000001000001000100001000000111100100010011001101001000000110000000110001000010001010100101101010,QAHFFUUJNOZJEU-UHFFFAOYSA-N
+COC2=C1N=C(C=CC1=CC=C2)NCCOC3=CC=C(C=C3)[N](=O)=O,D3293EDE6611548F_30E83A929787E4B6_6041_UN,7.972946,00000000000000000000000010000000000000100000000001000000100000010100001100000100001000000000011100101110110001010100001101101111001011010110101101111001110111111111110,CXGSUMNIENJBRU-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)NCC(CN2CCN(CC)CC2)C)Cl,B74B547F53187686_D04659BD063BCA7C_7022_UN,7.972829,00000000000000000000000000000000000000000000000000000000000000000000000000010001101001110011010000101001000111010011101011100010110001110110011011011111010111101111110,FXYYGLLEIHHKBE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)N[C@H]4CC[C@](C)(CC4)F,1B8BB407C47D3236_FED2FFEA0D75271D_6041_UN,7.9720764,00000000000000000001000000000000000000000010000000000000010000000010000000010000000001110110000101101100110101011101101011100011110011110110001111111001110111111111110,FWBSHRFUTYDJGH-ICQBTNNVSA-N
+C1(=NC2=C(C=C1)CCC2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,0835AF0B08B54D52_4C2F3A69A3CED1A9_6041_UN,7.9711037,00000000000000000100100000000010000000100000000000000000000000000100000000100100001000100001010010101100010000011000001001000100010001010100011011011101010110101111010,YCAIVBBAOOJKBC-UHFFFAOYSA-N
+O(C(C#N)C1CCC2(CC1)OCCO2)CCC3OCCNC3,2226972A3B052B9B_815A8D074D19B94B_6039_DP,7.971057,00000000000000000000000000000000000000000100000000000000010000000000000010000000001100100111000110101000110001011000001011010010110010000110101001110001110101110101110,BIGDKZBEKCQIES-UHFFFAOYSA-N
+COCCCC(C#N)C1=CC=C(C=C1)NCCCN2CCOCCC2,722E8D705DC816BA_E7D75A59AF85BF6D_6041_UN,7.9704056,00000000000000000001000000000000000000000100000000000000010000000000000000010000101001100010010101001000100011010001101011100010110011010110001000011001010111111111110,YNIOEVBZPVMTMH-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NCC3(COCCNC3)F,D3BC881ACBE740CA_1209D068451DDAC0_6041_DP,7.9697933,00000000000000000001000000000000000000000110000000001100010000000110010000000001101100110011001111001100110101011000001011001100110111110110001000010001010111100111110,BDUKTYRGOJRTKP-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C=CC=C2NC(C3=CC(=C(N(C)C)C=C3)[N](=O)=O)=O,8020133F17D5198A_EB3AFF72419D9F1F_6038_UN,7.969593,00000000000000000000000010000000000000000000000001000000100000010000001100100001000001100000111001000110010000100100010100101111001001011000111111101111101011111111110,MRSPPNPTHHOPJF-UHFFFAOYSA-N
+CC4C(OCC3CC1(CC2(C1)OCCO2)CO3)CCCN4CC5=CC=CC=C5,059797D48CD22DFB_CFE0695F5A6ABD01_6039_UN,7.969516,00000000000100000000000000000000000000000000000000000000010000000010000010010000000101100000000110101000010011011000101011110011110010000110100101111010110111111111110,FNQUTXQTZZXBTF-UHFFFAOYSA-N
+CCN3CCOC(CCOCC1CCC(O1)C2CC2)C3,ECA2540C3740569E_DC5CB9A8C9DCF076_6039_UN,7.9693127,00000000000000000000001000000000000000000000000000000000010000100000000010010000000101100100000110101000000011010010101011100010110010000110000000111000110101111101110,QCCOFLZOYBVKPT-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CNC(C2=C(N(C)C)C=CC(=C2)[N](=O)=O)=O)OCC3=CC=CC=C3,5B3F5D8A605C9065_8F9778B54D62D3F7_6038_UN,7.9692526,00000000000000000000000010000000000000000000000001000000100000010000001110100000101001100000111001001010000001100100010100101111001001011010111111101111111111111111110,KIEHMYNECAIVJY-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)[N](=O)=O)NCC2=CC=CC(=C2)C3=NC=C[N]3C,E5954AF7F3AAA21A_6CE9A665658F33D2_6041_UN,7.968835,00000000000000000000000010000000000000100000000001000000100000110100001100010101001101000000011111001010000000000100000111101111001001010100001111101111110111111111110,NKTLMHXOJMOGES-UHFFFAOYSA-N
+FC2=C1C=CC=CC1=CC=C2NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,C0345CB676787E95_45D76F9E9815F48D_6041_UN,7.9684305,00000000000000000000000000000000000000000010000000000000000000100100000000010101101101110011010010101100010110010001101011100100110001110110001011011111010110101111010,IOGXJWLAUMLZGS-HRAATJIYSA-N
+N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=C3)NC(C#N)C4=C(C=CC=C4)F,2E04435BDD992CF5_9A14860E4EB4CBD7_6041_DP,7.968362,00000000000000000000000001000000000000100110000000000000000000100100000000010101101101110011000010101100111100010000001011100100110101110110001011011011010010100111010,QYCYPRJKEKXLOQ-LICQEQMYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)OC[C@@H](C)N(C)C,543ADF3A16D1C873_359CBB93E8155479_7022_UN,7.967128,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010100000000000101010101101000100011110010100010010101011100110111111111110,CXLJKBNUQFZMEU-CQSZACIVSA-N
+CN(C)CC1=C(C=CC(=C1)NC2CCN(CC2)CC3CCCC3)F,F9838E4767EFECD6_ED4E3EB9B4B0E627_6041_UN,7.967046,00000000000000000000000000000000000000000010000000000000000000000000000000110000100001110011010010101000100100010001001001100000110001110110001011011111010110101111010,JSNMSNYJWHTJOJ-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC(=CC=C1)NCC2CCN(C2)C3=C(C=CC=C3)F,4DBA6D05C496590B_EBAB5023BB0319C7_6041_UN,7.9669466,00000000000000000000000000000100000000000010000000000000000000100000000000110100101101110011011010001000000100010000001001101100111001110110011011011111010110101111010,URLRGBHAWNENRT-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Cl)CC3CCCN(C)C3,DBFE34231817EC93_53874EEF74532303_6034_UN,7.9664364,00000000000000000000000000000000000000000000000000000000000000000100000000010000101111110000010010101101110110010001101011100100110000100110001001011001010110101111010,ZOYAWNBIGRBPPG-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)Br)CC3CCCN(C)C3,1C1D3FDEFC43F03B_7B3F90769512447F_6034_UN,7.966423,00000000000000000000000000000000000000000000001000000000000000000100000000010000101111110000010010101100110110010001101011100100110000100110001001011001010110101111010,FTIZWIBDMVMUNY-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=C(C=C2)F)CC3CCCN(C)C3,A43E0CBA2C12C233_066E83815806444A_6034_UN,7.9664087,00000000000000000000000000000000000000000010000000000000000000000100000000010000101111110000010010101100110110010001101011100100110000100110001001011001010110101111010,NZTXHMHBNNGUHY-UHFFFAOYSA-N
+COC1=CC=C(C=C1)CN2CCCN(CC2)[S](C4=CC3=C(C=C(Cl)C=C3)C=C4)(=O)=O,E968EE8CD47AA236_7F51802E7A9FAABC_6029_UN,7.965632,00000000000000000001000000000000110000000000000000010001001111001001000001010001110001111000011000001111011100011100011011101111111000101110001101111000110111111111110,SPINOHKZDSNSFZ-UHFFFAOYSA-N
+COC1(CCNCC1OC(=O)C3C2=C(C=CC=C2)OC4=C3C=CC=C4)OC,64D5D3F4A293AA95_E7ADF12AAA112F4E_6038_DP,7.965105,00000000000000000000000000000000000000000000000000000000010000000000000010000000001000100001010101101100110010011100101011010111110010000110100111110111111001111111110,KNCLQLGXFASJNY-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C=C)NC2=CC=C(CN=[S](N(C)C)(=O)C)C=C2,394080E37E079ED2_9D2CDD91B39971CA_6041_UN,7.964923,00000000000000000000000000000000111000000000000000010000001011000101000001100101010000101000011000111010001010001000110101101100001001010100011001001101010110101111110,PGNPUKMRKPAODP-UHFFFAOYSA-N
+CN1CCC2=C1C=CC(=C2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)F)F,FBB86F3023AE901A_56B4038BF837836A_6041_UN,7.9648,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001100110110010001101011100100000001110110001011011111010010101111010,IJFRDGCLDPAOMY-QUCCMNQESA-N
+CN1CCC2=C1C=CC(=C2)N[C@@H]3CCN(C)[C@H]3C4=CC(=C(C=C4)Cl)F,9A4738407AF2F5FC_1F6EA78B8D35DBE8_7022_UN,7.964795,00000000000000000000000000000000000000000010000000000000000000100000000000010001100101110011010010001101110110010001101011100100000001110110001011011111010010101111010,VHJWARSGVNINIY-QUCCMNQESA-N
+NCCC3(OC1=CC2=C(N=C1)C=CC(=C2)C#N)CCOC3,497D88B2ADA9C055_D0A7432C235F558E_6035_UN,7.9647484,00000000000000000000000000000000000000000100000000000000010000000110000010000000001110100101000111101100110001011100001011000111110010000110001101010001110111110111110,FYSSJEKFRJCJNB-UHFFFAOYSA-N
+COCCOC1=C(C=C(C=C1)NC2=C(C=NC=C2)[N](=O)=O)C#N,25E1987855E52913_1A560D98578D9B58_6041_UN,7.9647365,00000000000000000000000010000000000000000100000001000000100000010100001110000001100000100000011001100010000001000101101101101111001011010110101111111011110111111111110,KTNBFHBSJZEETC-UHFFFAOYSA-N
+O(CC1CCN1C2CCCCC2)CC3=NC4=C([N]3CC)C=CC(=C4)F,172E1FB58590EC3F_821B8432FD960589_6039_UN,7.964415,00000000100100000000000000000000000000100010000000000000000000100100000000010101000101110000000110001100010111010010001011100110110001100110001011011010010111101111110,AGRDVUSYNPHSFN-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C(=C1)F)NCC2=NC=C3C(=C2)OCCO3)F,EB02776194131C54_2C371BF211FA8742_6041_UN,7.964339,00000000000000000000000010000000000000000010000001000000110000010100001110000001001000010000001101101110010101010100001111101100001011110110101011111011110111110111110,AHCNPWNMLOXAMY-UHFFFAOYSA-N
+CC(OC1=C(C=CC(=C1)SC)Br)CN(C)C2CCNCC2,031AB448A984E95A_40B2E92F3F5A424E_6035_UN,7.962836,00000000000000000000000000000000000000000000001000000000000100001000000000000000111001111001010100101000100110010101101001100011110011100110011111011111110111101111110,USYXOCXKQJCFHV-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N=CC=C2NCC(C)(C)CCC#N,B4ACA67FDF1891BD_BE87BA1033A449E5_6041_UN,7.9623346,00000000000000000000000000000000000000000100000000000000000000000110000000100000101000000011010000101100010000011101101001000111010001010100011101010101110111101111110,GYQJRQXLJLCLLK-UHFFFAOYSA-N
+C1NCCN(C1)C3=CC2=C(C=CC=C2)N3CC4=NC=C([N]4C)Cl,89E13E711B04CFA3_33C31F2F4C540E43_6034_UN,7.9618773,00000000000000000000000000000000000000100000000000000000000000100100000000010101001101110001010010101101110100010000101011100100110001110110001011011011010110101111010,JFZDEGXQHWICDG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C3=C2CCCCCC3)NCC(OCC)CCN(C)C,37BC27303A9119D2_86821F64C2B1C623_6041_UN,7.9616313,00000000000000000000000000000000000000000000000000000000000000000100000000100000001101100011010111001100110011010011101001100110110111010110011010011101110111101111110,OZYGERIAAQVRCD-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)[N](C=C2C3CCNCC3)CC4(N)CC(F)(F)C4,8D9593E3FA3451FF_728DE2DA0153B182_6034_DP,7.961478,00000000000100000000000000000000000000000010000000000000000000100110000000010001001111110001010010101100110100011100001011100111110101100110001101011001110111101111110,JFBNPOPMDRXNMP-UHFFFAOYSA-N
+CC1(C)CCC2=C1N=C(C(=C2)C#N)NC(C)C3CN(CC3)C,03209E20F824E65D_6E6E85866AC393BA_6041_UN,7.96147,00000000000000000000000000000000000000100100000000000000000000000110000000110100100101100011010010101100010010011001101011100000010001010110011010011111010010101111010,KOXQYTFIZLWONL-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CC(CCC)N2CCNCC2)C=CC(=C3)Br)C4,8FD932A3557BF6E5_D906A4B3D58D6379_6034_UN,7.9608827,00000000000000000000000000000000000000000000001000000000000000000110000000110001001101110001000010101100110110011011101011100100110000100110011011011101010110101111010,FERLDINXHBWTGI-UHFFFAOYSA-N
+COCCC(C)(C)COC1=C2C(=C(C=C1)CCl)C=CC=N2,F3D04AD9EA3EDB0D_AD4CCBB92F69F79A_6035_UN,7.960136,00000000000000000000000000000000000000000000000000000000000000000110000000100000000000100000010100100101010001001101101001000111010010100110010101010100110111011111110,BMVIKNBYOVPBRR-UHFFFAOYSA-N
+CC(OCC2COC1(CCCCC1)O2)C3=CC4=C(N=C3)C=CC=C4,F87A228DA5F12A05_7ED4FD85C29D37D5_6039_UN,7.9585047,00000000000000000000000000000000000000000000000000000000010000000100000010000000000100000100000011100100010001001000101011010110110010000110000001110000110111011111110,KPUMFMVMRRYJFN-UHFFFAOYSA-N
+CC(C)C1=CC2=C(C=C1)OCC[C@H]2OCC3OCC4CCOC34,DA062BCF44100D63_FBD9A707BDF0C7BD_6039_UN,7.9576902,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100000100000010100100010001000100001010000011110010000110100111110100110101011011110,YWHYHZMWPDHMQD-UIOSHYFSSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NCC2(C)CC3=C(C2)C=CC=C3,66F4B099FB41B4F8_4C69B52FE41B4505_6041_UN,7.957553,00000000000000000000100000000010000000000000000000000000000000000110000000100001001000100010010010101100010000001001000001000100010001010100011011001111010110101111010,PBKSEQGOPYGNPO-UHFFFAOYSA-N
+CC2=C1C(=CN(C1=CC=C2)CCOC3(CN)CCC(F)(F)CC3)CCN,2307F0E4B67FE688_8788CEC1D5CBBC28_6034_UN,7.957017,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111010011000110001100110111011000001001100111110110100110001101011001110111101111110,WPPWBESUURKPMS-UHFFFAOYSA-N
+CC(C)(OCCOC1CCNCC1)CC2=CCCCC2,BDCD99746292A554_B3E6D0398972682E_6039_DP,7.9566855,00000000000000000000000000000000000000000000000000100000000000000010000010101000001000100001000001111000100011011001101001000011110010000110000101010101110101111101110,VVDJZMRQQVYSDM-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC=C(C=C1)C=CC2=C(C=N[N]2C)C3CCC3,A6C517FAA644605E_682D911CE9BB04C9_7019_UN,7.956681,00000000000100000000100000000010000000000000000000001000000000100100000000110000100100100000011010010000000000001000001011101100000000000100011010011110000010101111010,YBAAUOQFRZREAI-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)CC#N)NCC3OCC2(CNC2)C3,DB0322DC80573AC8_2EF65B6ABF5DC54C_6041_DP,7.9562793,00000000100100000000000000000000000000000100000000000000010000000010000000000000001100100011000111001000010011011000000011000000110111010110001010000011110111101111110,MQJYFKSONSKUQU-UHFFFAOYSA-N
+C3CNCC1=C(N(C=C1)CC2=C(CCN(C)C)C=CC=C2)C3,DCF5891C31065C1A_D516204155B3D642_6034_UN,7.9560704,00000000000000000001000000000000000000000000000000000000000000000100000000110000101101100011010010001100110000010001101011100100110000000110001010011111010110101111010,PQJQTFHKKQRGBY-UHFFFAOYSA-N
+C1(=C(C=CC=C1)CN2CCCCC2)NCC3(CC(OCC)C3)N4CCOCC4,B297C97C195DAC10_256B1C40F0DCD691_7022_UN,7.955757,00000000000100000000000000000000000000000000000000000000010000100010000000010001101001100011000101101000000011011010001011100011110011010110001111011011110111111111110,XESGYRUDMJKOOK-UHFFFAOYSA-N
+FC2=C1C(=N[NH]C1=CC(=C2)C#N)NCC(C3CCNCC3)F,AFF9EDCFBCF3D1C2_814556FAA3F4979B_6041_DP,7.955742,00000000000000000000000000000000000000100110000000001110000000000100010000000101101100110001001010101100110100010000001011001100110101110110001001010001010110100111010,NSQIEEGASNEVRS-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC3=C(C=C2)CCNCC3,133CB1E05D916774_A0182AAD7F5DADB8_6035_UN,7.9547005,00000000000000000001000000000000000000000000000000000000000000000000000000100000001001100000010100001100110010010100101001100011110011000110001111011111110011101111110,VYIQXCVKMLXBMS-QZTJIDSGSA-N
+N1CCCC(C1)C(OCC#CC2=CC=CC(=C2)OCCOC)C(F)(F)F,03BED29505615518_952FE2BD188C5C28_6039_DP,7.9537067,00000000000000000100000000000000000000000010000000000000000000000000000010000000001000100011010001101000101101011101101001000011110010100110000101110001110101111111110,PPCPGJKCVXYOJC-UHFFFAOYSA-N
+[S](=O)(=O)(C1=CC2=C(C=C1)C=C(Br)C=C2)NCCNOCC3=CC=CC=C3,7F9C127D5D978D25_32F25112EFF69C5E_6026_DP,7.9535465,00000000000000000000000010000000110000000000001000010011001111001001010101000001011000011000001001001110111101011000011000001110111110101010001001111001010111110111110,UAAHDLJWDHQZRH-UHFFFAOYSA-N
+NCC1(C(CCC1)OC2=CC=C(C=C2)CN3CCNCC3)CC4=CC=C(C=C4)F,D7493D71DD3D2AA7_5848BACBC263AD0A_6035_UN,7.9535303,00000000000000000000000000000000000000000010000000000000000000000010000000010001001011110011000011101000100100011100001011100111110110100110001101011011110101100111110,ICRXLVICRVTLNN-UHFFFAOYSA-N
+N(C1=C(C=CC(=C1)F)[N]2C=CC=C2)[S](C3=CC=CC(=C3C(OC)=O)C#N)(=O)=O,9DDF88F678A3043A_E2CECA7AF4E6978C_6029_UN,7.953285,00000000000000000000000000000000110000000110000000010001001111101101010001010001010101011000011010000010001100001000010001111110001001111100101011101011001011111111110,ZPWRUKUHIZLHGU-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=C(C=CC=N1)N[C@@H]2CCCC3=C2C=CC=C3,CBEF859E4F5B999E_A6F5D84D8EB04A74_6041_UN,7.9530797,00000000000000000100100000000010000000000000000000000000000000000100000000100001000000100011010000100100110000011000001001000100100001010100011011011111000010101111010,GRKPIRGZCBYOSR-GOSISDBHSA-N
+C(CC1=CC=C(C=C1)C#N)=CC2CC23CCC(F)(F)CC3,2CB7E69622D4A3B7_A5A74ABFE7F7CAB6_7019_UN,7.952635,00000000000000000000001000000000000000000110000000000000000000000010000000000000000000010000000000010000010100001000001000000000110000100000000001010000000100000111010,BWLYFMQFYCHEMR-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC=C(C=C1)NC3CCC2(CCNC2)CC3,E086CF8C8536781E_E261D840E301B751_6041_DP,7.9519677,00000000000000000000000000000100000000000000000000000000000000000010000000100100001100100011011010001000110000011000001001101000111101010110011001011101010010101111010,KAGAWSRRLHQOIG-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NCC2CCCN(CC)C2)F,91A51F69E352511F_02A21B4E58ABD388_7022_UN,7.9509196,00000000000000000000000000000000000000000010000000000000000000000000000000110000101001110011010000101000000110010011101001100000110001110110011011011111010110101111010,VMFSCDLAJDFACO-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C=NC=C2)N[C@@H]3[C@@H](N(C)C)CCC3,30DFD8AA45029B1F_638255388F25152D_6041_UN,7.950898,00000000000000000000000000000000000000000010000000000000000000000100000000100001000001110011010010100100110110010000101001100100010001110100001011011111000010101111010,KWAKTCBNZIGABX-GJZGRUSLSA-N
+C[C@@H](OCC2OCC1(CNC1)C2)C3=CC4=C(C=C3)CCC4,B4F52E8A993AAB19_F14240DC1819F3CE_6039_DP,7.9506884,00000000100100000000000000000000000000000000000000000000010000000010000010000000001100100010000011001100010001001000101011000010110010000110000010010001110101111111110,NRVXRKVZWDURPR-FWJOYPJLSA-N
+COC2(COC1=C(C=C(C)C=C1Br)CC=C)CCCCC2,9E8AFFC04AFF66B1_F615740EAF299E00_6035_UN,7.9501724,00000000000000000000000000000000001000000000001000000000000000000010000010000000000000010000010000010000000111001100101000000011110010100000000111010110110101011011110,WEYYJYTXXHMQEO-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC3=CC2=C(C(C(C)C)NCC2)C=C3,1969BF0789A31EEE_C045E47BA7D81AC5_6035_UN,7.9497232,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010100101100110010010100101001100011110011000100011111011111110011101111110,IYZSGDMTDNAOFX-LEAGNCFPSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCC3C(C(OC)C3)(C)C,2E474AB4F6EA3AE0_55EB15FA05DD8E73_6041_UN,7.9494457,00000000000100000000000000000000000000000000000000000000010000000010000000110000001001100010010100101000000001011000101011100011110011010110011101011111110111111111110,OXYODNVNTUOYSO-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC3C[C@@H]2CCCC[C@@H]2C3,0D921BA87D5A149E_0D968363623A17EE_6041_UN,7.949429,00000000000000000100100000000010000000000000000000000000000000000000000000100000000000100001010010000100110000011000001000000000110001010000010001011101000010101111010,OTZGJCBFTYMJNJ-UFRUDQCGSA-N
+CN(C)C[C@H]3C[C@@H](OC1=CC(=NC2=C1C=C(C)C=C2)C)CN3,9ED338CFA7459B58_17054BFEAFC0D176_6035_UN,7.948617,00000000000000000000000000000000000000000000000000000000000000000100000000100001001101100011010111101100110010010101000011100111110010000110011101001101110111101111110,OIJUUOZNGINMCT-HUUCEWRRSA-N
+C1(=NC=CC(=C1)N2CCOCC2)NCCO[Si](C)(C)C,6A52F4F96437A1F5_770ADD25A7E80269_6041_UN,7.948392,00000000000000000000100000000010000000100000000000000000010000100100000000110100101001100000010100101010100011011000101011101010110011010110011001011101010111111111110,IIDNAJYNCVLFHB-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)NCC(C)(C)C2=NC=CN=C2)CC#N)OC,E476BBB435151C86_B5EA1C45AB415DC6_6041_UN,7.9482822,00000000000000000000000000000000000000000100000000000000000000000110000010100001101000000010010001101000000000011101000011000111100001010100011111000111110111111111110,JTDMLZUCVHLYLM-UHFFFAOYSA-N
+O(C(=O)CC1=C2C(=CN=C1)C=CC=C2)CC3=C(N(C)C)C=CC(=C3)[N](=O)=O,FA7D807D7668C37E_F29A12075E89AC41_6031_UN,7.9480524,00000000000000000000000010000000000000000000000001000000100000010100001100100000000001100000011001100110010011000000000101111110011011011100101011101110011111111111110,BNSUOPLMERZSJU-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C=C2C3CCNCC3)CC5C[C@H]4CC(OC)([C@H]4C5)OC,AF33E38AAB9F8C7C_9D383D0A407A8429_6034_UN,7.947847,00000000000100000001000000000000000000000000000000000000000000100100000000010000001101100001010010101100110010011100101011110111110010000110011101111101110111111111110,MXPWDFVRIINHBC-OGOMYWKWSA-N
+O(CC=CC1=CC2=C(C=C1)OCO2)CCC3(OC)CCC3,75B7208EDC3C1405_A2A89C4AEB2E594A_6039_UN,7.947438,00000000000100000000000000001000000000000000000000000000010000000010000010000000000100100100010010010100010011001100101010010011110010000110100110110000110101011011110,FEOTXFHPYWDPMF-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C(C#N)N2CCOCC2)N[C@@H]3CNC[C@@H](C3)F,53F30A19A843E1B4_01E7032C7C4D77D9_6041_DP,7.9473743,00000000000000000000000000000000000000000110000000000010010000000000000000010001101001110011000100101000100101010000001011100000110111110110001011011011010011100111110,YNAVHMOHYPJJDA-LICQEQMYSA-N
+C[Si](C)(C)C1=CC=C(C=C1)OCC3C(C2=CC=C(OC)C=C2)N(CC3)C,2D647C48ACCB9A1C_F98C9304312F2151_7022_UN,7.9470644,00000000000000000000100000000010000000000000000000000000000000100000000000110000000101100000010011001000000011011101101001100111110000000110010101011110110111111111110,GSQSHLHKPLONAM-UHFFFAOYSA-N
+COC(=O)C1=C(C=NC(=C1)OC)NCCC2=C(N(C)C)N=CC=C2,07FB7841E924168A_3575FEC94966FCDF_6041_UN,7.946888,00000000000000000000000000000000000000100000000000000000000000000100000000100101001001100000110001101000100010110100011011110111000001010100011111111111011111111111110,SWCUXMXQBZNVOG-UHFFFAOYSA-N
+O(CC1(CC#N)COC1)CC2=CC=C(C=C2)C3CCC3,90223EA45728857D_6FB7817312E6EF5B_6039_UN,7.9467716,00000000100100000000000000000000000000000100000000000000010000100010000000000000000000100100000000000000000001011000001000000010100000000110000000010000010101010111110,QEJIDBGJLNIJJN-UHFFFAOYSA-N
+CC1=CC(=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]4[C@@H](CNC4)C5=CC=C(C=C5)Cl,7B8DFAD138F952F5_1B4104583B6D6E58_6034_UN,7.9457884,00000000000000000000000000000000000000100000000000000000000000100100000000010101101101110011000010001001100100010000001011100100110100100110001011011011010110101111010,CVGSIVJAKXFZQZ-XWQVQCDNSA-N
+COC2=NC=C1N(C=CC1=C2)CC3=CC(=C(N(C)C)C=C3)[N](=O)=O,34E6A49C60DC2DD0_8B0BE7297BFDCA12_6034_UN,7.945602,00000000000000000000000010000000000000000000000001000000100000010100001100110001000101100000111011101110010000100100010111101111001001010100011111101110010111111111110,YWOAYHHQBUQMOC-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)CC#N)NCC(C)(C)[N]2N=CC=C2,DEA4F2D15C44B634_453C5DF28EF9F960_6041_UN,7.9455404,00000000000000000000000000000000000000000110000000001000000000000110000000110001101100010010001010001000000100011001000011101100100001110100001010001111010110101111010,FUWALRNSPJNZSL-UHFFFAOYSA-N
+CN(C)CC(OC1=C(C=CC=C1)C(F)(F)F)CN2CCNCC2,40B678F449D98932_38C5FD75AEB07F8D_6035_UN,7.9452944,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001100001010100101000101110011101001011100011110010100110001111011111110101101111110,CXDWMSQKQLMMFC-UHFFFAOYSA-N
+CC(C)(OC1=CC=C(C2=C1CN(C)CC2)F)CCN3CCCC3,F030C7123F605DE9_C57B5AE7B19DE8FB_6035_UN,7.944989,00000000000000000000000000000000000000000010000000000000000000000010000000110000000101110000010011101100010100011101101011100011110010100110011111011100110101101111110,HKVVWLKHTUZNHU-UHFFFAOYSA-N
+C1(=CN=C(N=C1)N=[N]#N)N[C@@H]2C3=C(OCC2)C(=CC=C3F)F,3EDB8DA191B8F674_5E7761A878215EFF_6041_UN,7.944892,00000000000000000000000001000000000000000010000001001000010000000100001000000101100000010010001001100100111101010100001111001100001011110100001011010001110011100111110,PCOUIQYODUMUMG-JTQLQIEISA-N
+CN(CC1=CC(=CC=C1)O[C@@H]3CC2(CCC2)OC4=C3C=C(C=C4)F)C5CC5,3BDBA32C8E65CF5F_8D59B0B8D28E1C80_7022_UN,7.9448824,00000000000100000000001000000000000000000010000000000000010000000010000000000000000001110100010000101100010100011101101000100111110011100100000111011000110111111111110,MJZVNOZBQBMNGB-JOCHJYFZSA-N
+CC1=C(C=CC(=C1)CNC(CCC2=CN=C(N(C)C)C=C2)=O)F,A7740ABD7E638E64_4213E733417A51B2_6038_UN,7.9448204,00000000000000000000000000000000000000100010000000000000000000000100000000100100001001110010110000101000100110110000011001100100110011110100011011011111011110101111110,YFMGXXXRXJMYQN-UHFFFAOYSA-N
+CC1=CC(=C(C(=C1)F)NCCC3CCN(C2CCN(C)CC2)CC3)F,7E567A6D1F1A1B39_9E255E2565D0F379_7022_UN,7.9445114,00000000000000000000000000000000000000000010000000000000000000100000000000010000101001110001010000101000100100010001101011100000110001110110001011011111010110101111010,DUCGUJBNODTBSR-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)NCCC3=CC=C(N(C)C)C=C3,8FFF259F3ED70AF7_FA53BAF2AD213576_6026_UN,7.94447,00000000000000000000000000000000110000000000000001011001001111001001011001100100011001101000011000001110111000011000011100101100001001011000001001011101010110111111110,HLKWBPPZRCUUHH-UHFFFAOYSA-N
+COC1=C(C=C(C(=C1)F)NC3=CC=C(OC2=CC(=NC=C2)C(N(C)C)=O)C=C3)OC,C39D75327826AA67_59D290DAB0C95940_6041_UN,7.9444237,00000000000000000000000000000000000000000010000000000000000000000100000010100001000001110000110101100000000100100100010001100111000001110100111111101111101011111111110,QJBQZNKXKSAXDD-UHFFFAOYSA-N
+CN(C)[C@@H]1CCC[C@H]1OCC2=CSC(N2C3=CC=C(F)C=C3)=NCC4OCCC4,584CB8FC96FCA699_4758B667A3C723F6_6039_UN,7.9441733,00000000000000000000000000000000000010000010000100000000010000100100000000110110010101111000010110001000001111010000101111100111110011110110001110011110110111111111110,PWOKBVSUZFZBEQ-RWLBOTFQSA-N
+NCC1(CCC1)C3(OC2=CC(=CC(=C2)Br)N)CCOCC3,7A0F2907F01174D6_1DE2B1F9C41BAE8E_6035_UN,7.9440513,00000000000100000000000000000000000000000000001000000000010000100010000000000000001010110111000001101000000101001100001000000011110111110110001101010001110111110111110,JLTOJTMEFLTLST-UHFFFAOYSA-N
+NCC1(CCC1)C3(OC2=CC(=CC(=C2)F)N)CCOCC3,64933F80E8EC6ABF_2434CD323D08226D_6035_UN,7.944047,00000000000100000000000000000000000000000010000000000000010000100010000000000000001010110111000001101000000101001100001000000011110111110110001101010001110111110111110,ILFSJQRMDTYGEQ-UHFFFAOYSA-N
+N1CC[C@@H]([C@H](OCC#C[Si](C)(C)C)C1)C2=CC(=CC=C2)C(F)(F)F,99710AD68AF167E9_C2DD10A27B423754_6039_DP,7.943967,00000000000000000100100000000010000000000010000000000000000000100000000000100000001000100001010100101000101111011000001001000011110010100110010101011111110101101111110,IBWTYFWQOALGIP-IAGOWNOFSA-N
+BrC1=CC2=C(C=C1)N(C3=C2CCCC3)CC4(C)CCCN(CCC#C)C4,92FE9C42C0AEC079_CEDAAB9A489B2D3A_6034_UN,7.943923,00000000000000000100000000000000000000000000001000000000000000000110000000010000100101110000000010101100010110011001101011100100110000100110001011011000010110101111010,CEKYHGMFZJLYCO-UHFFFAOYSA-N
+O(CC1=CC(=CC(=C1)F)N2CCOCC2)CC3=C(C)C=CC(=C3)[S](=O)(=O)Cl,94A8E75BC34C8E44_B3C9177E40F832A4_6039_UN,7.9435844,00000000000000000000000000000001000000000010000000010001011111101001000001010000010001111000000100101011001101011000101011101110111011111110100011111010010111111111110,ZKACYTWUUURONI-UHFFFAOYSA-N
+O(CC1=CC(=CC(=C1)F)N2CCOCC2)CC3=C(C)C=CC(=C3)[S](=O)(=O)F,1E4059BDE9ABC62F_9E7D39509CD9CE0A_6039_UN,7.943584,00000000000000000000000000000001000000000010000000010001011111101001000001010000010001111000000100101010001101011000101011101110111011111110100011111010010111111111110,SWTODGMYYSLUMD-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)C=CO2)NC3CC(OCC)C34CCOCC4,B407D286B69E4704_D9AEC9DAF009B3C5_6041_UN,7.9427943,00000000000100000000000000000000000000000010000000000000010000000010000000000000000100110011000111100100110111011010001010000111110011110110000111110011110111111111110,JNYQDUPCLUJGBP-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)CC4(CC#N)CC4,C878AEADE71CF408_3277C2A8E9CB7D69_6034_UN,7.9414115,00000000000000000000001000000000000000000110000000000000000000100110000000010000001101110001000010101100110100011000001011100100110000100110001001011001010110100111010,FFCZUGIXPHHEJY-UHFFFAOYSA-N
+FC1=C(C=CC=C1NC2=C(OCCOC)C=CC(=C2)[S](=O)(=O)C)CC#N,925F4FC51A799D44_3E11B3BC1247E33D_6041_UN,7.9410152,00000000000000000000000000000000000000000110000000010001001111001001000011000000010000111001010100000010000101011101101000001111001011111010101111111111110111111111110,KJPWQBFZLOOSLI-UHFFFAOYSA-N
+CCN(CCC=CC1CC(OC)C12CCC2)CC(F)(F)F,7ECC9564FDD79BDA_67E92A205F43D3AD_7019_UN,7.9408665,00000000000100000000000000000000000000000010000000000000000000000010000000000000000001100000010000011000011110011010101000100011110010100010000100011100110101101100110,RZCGIIDREBTRJI-UHFFFAOYSA-N
+C[Si](C)(C)C#CC3(OCC1=CC=CC2=NC=C[N]12)CCOCC3,DEF489987725D891_9825E2A234FBEB92_6039_UN,7.9406877,00000000000000000100100000000010000000100000000000000000010000000110000000100101000101100100010110100100010001011000001011100111110010000110011101011100110111011111110,HWAZHRQAGZKHIS-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)OC2=C(C=CC=C2C(OC)=O)CCl)C3,48FCDA458D9358D0_879B1C0C1667B9C8_6003_DP,7.9401727,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100101010010001101010000000100000001010111010000100110000111100011111101111111110,ZTZUOACNONKXJR-UHFFFAOYSA-N
+CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)N[C@H](C)C4CCCC5=C4C=CC=C5,843274062AD562A7_E8AE42BF38400718_6041_UN,7.939653,00000000000000000000000000000000000010100000000100000000000000000100000000000100110100001011000010100100010010000001101011000100110001010100011011010101000010101111010,RIYPBINMIDMBRS-SWKXRBFHSA-N
+C[Si](C)(C)CCOC[N]1C=C(N=C1Cl)C3=C2OCCC2=CC=C3,480F42F982525127_A23405A081EEA0E9_6004_UN,7.9393415,00000000000000000000100000001010000000000000000000000000010000100100000000110101000101110000010011001101011101101101111011100110010010100110011010011110110111111111110,VWTRJYQUGIKOPD-UHFFFAOYSA-N
+CC1=C(N(C(=N1)C2CCNCC2)CC3(CC(F)C3)C4=CC=CC=C4)C,2D2AFED41CA9A598_037E585C4AF608FC_6034_UN,7.9390717,00000000000100000000000000000000000000100010000000000000000000100110000000010101001101110001000010101000100110011000101011100100110000100110001011011111010110101111010,BTUFGXIXXRWPNB-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CC2)C#N)NCC3(CCOC)CC3,26BC5C0B3FB705F8_A3992C0AE9BF44CF_6041_UN,7.938899,00000000000000000000001000000000000000000100000000000000000000100010000000000000001000100011010000001000000001001001101000000010110011010010001000010001010111101111110,SHYWWNSEFYVBLN-UHFFFAOYSA-N
+N4CC1=C(C=C(C=C1)NCC2=CC(=C(C=C2)F)CN(C)C)C3(CC3)C4,182EAA15D740D8F2_E0E4B997C797BDC9_6041_DP,7.938873,00000000000000000000001000000000000000000010000000000000000000000010000000100000001001110011010000101100010100001001000001100100110101110110001011011111010110101111010,QGYDMJHRAQDBOW-UHFFFAOYSA-N
+N(CCC1=NN=C([NH]1)C2=CC=CO2)C(C45CC3(CC(CC(C)(C3)C4)C5)F)=O,FFA06F7C2E382E9A_5AA8FE0A32D0D881_6038_UN,7.938272,00000000000000000000000000000000000000100010000000001100010000100110000000000101101100010010101111001100110110111001011011001100100100100100001001010001111110111111110,LVFYBWGXJRKDIR-UHFFFAOYSA-N
+FC1=CC(=C(C=C1)NC2=CC=CC3=C2CN(CCN(C)C)C3)F,7D70B578075E14C7_DA337C29F5BCEE10_6041_UN,7.9378486,00000000000000000000000000000000000000000010000000000000000000000000000000110001100101110011010010001100010100010001101001100100010001110110001011011111010110101111010,FEMJGUNNBSBGIV-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1C[C@H]2NCC[C@@H](CC)C2)C(=CC(=C3)F)F)C4,01B94876063EE577_18CE11F278D28DE3_6034_UN,7.9367385,00000000000000000000000000000000000000000010000000000000000000000110000000110001001101010001000010101100110110011011101011100100110000100110011011011101010110101111010,UAKQZWUMMNTPOZ-ZBFHGGJFSA-N
+C2(=C(C=C1C=CC=NC1=N2)C#N)NCC3=CC=C(C(C)(C)C)S3,54F94DC8CBC508A8_A4813E723A603E0D_6041_UN,7.9366627,00000000000000000000000000000000000010100100000000000000000000000110000000100100111100001000000010101100010000001000000011000100000001010100011011000111010110101111010,PNCUVBNLPBDBQJ-UHFFFAOYSA-N
+CC3(C)[C@@H](OCC2COC1(CCCCC1)O2)C[C@H]3OC4=CC=CC=C4,E831BBCDC2E8994E_4B0686C3CCB0F01B_6039_UN,7.9363737,00000000000100000000000000000000000000000000000000000000010000000010000010100000000100000100000010000000010011001100101010010011110010000110100101110110110101011011110,DPHHUVGLXOMTGF-JLMCIHFGSA-N
+FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)C[C@@H]4CC[C@](CN)(CC4)F,B8CB3866923E36E2_01EA1C6972E97DB4_6034_UN,7.9363427,00000000000000000000000000000000000000000010000000100000000000100110000000011000001111110011000010111100110100011000001011100100110100100110001001011001010110100111010,NXGBVJZQQUDIIY-WEHONNDLSA-N
+CC1=C(C=CC=C1)C4(OCC3COC2=CSC=C2O3)CCCCC4,F24512DE5B21DE57_C1D3E33AEA491136_6039_UN,7.936207,00000000000000000000000000000000000010000000000000000000010000100010000010000000000100001100000010100100010011001100001010000111110010000110000111110010110101011011110,TXQIFADLVDTSQU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OCC#N)NC3(CC2=C(C)C=C(C=C2)F)CC3,2398F3119359FD5B_8DCE6C50C41474EF_6041_UN,7.9361606,00000000000000000000001000000000000000000110000000000000000000000010000000000000000000010010000100000000100101011100100000000111010001110000001111010011110111101111110,WZYAGTMWBNKQDD-UHFFFAOYSA-N
+CCCC[C@H](OC1=C(N)C=C(C=C1)CN2CCCCCC2)C(F)(F)F,A1459A3836D32D35_43A133422D494E20_6035_UN,7.9359818,00000000000000000001000000000000000000000010000000000000000000000000000000010000000011100001000100001000001100011111101001100011110011110110001110011011110111101111110,CLQVNCOEBNRQAW-SFHVURJKSA-N
+CN(C)CC1=C(C=CC=C1)NC2=CC=CC3=C2N(C)CCO3,3CD9FDE25B281336_C72A2509DD683F9E_6041_UN,7.935655,00000000000000000000000000000000000000000000000000000000010000000000000000110001100001100011010101101100010001010101101011100100000011010110011011011111110111101111110,GBGHXOKFRBDWLQ-UHFFFAOYSA-N
+CN(C)C2=C1C=CC=C(C1=CC=C2)OCC3(CC=CCO3)C(F)(F)F,E88F55E04FC109AF_46CA4AB170EAFA7D_7022_UN,7.935487,00000000000000000000000000000000000000000010000000000000010000000010000010100000000001100000010000110100011101001100000000100111010011110110000101001100110111111111110,SEKOUSJWNYZJNS-UHFFFAOYSA-N
+CN(C)CC2(COCC1=C(OC(F)F)C=CC=C1)CCCC2,75DA251611DA40CB_C6A95E19FB4782D6_6039_UN,7.934888,00000000000000000000000000000000000000000010000000000000000000000010000000100000000001100100010011001000001111001101001000100011110000100010000110011110110101111111110,KYCJMUWZYOMFGY-UHFFFAOYSA-N
+CC1(C)COCCC1OCC2=CC(=CC=C2)CN3CCCCC3,95A8A3FB795C4B6E_8589E8F9C6C89809_6039_UN,7.93473,00000000000000000000000000000000000000000000000000000000010000000010000000110000000001100100000000101000000011011001101011100011110010000110000101011110110101111111110,PDTHSZWUFYTIOV-UHFFFAOYSA-N
+O(C(=O)C1=C2C(=CC=C1)OCCNC2)CC3=CC(=C(N(C)C)C=C3)F,C171F4BD3922A115_3DD2E9456C490807_6031_UN,7.934324,00000000000000000001000000000000000000000010000000000000010000000000000000100000001001110000010101001100110101010100001011110110110011110110001011111111111111111111110,DDHQTIYYSKXDFK-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)[N]3CCC4CC(N)C4,3A51E7DFAC0BCB25_46486E3CDF8193D7_6034_DP,7.934227,00000000000100000000000000000000000000000000000000000000000000100100000000010001001111000011000010101100110000010000001011100100110101000110001011011011010110100111010,MASAZWMOFGHXDR-UHFFFAOYSA-N
+O(C(=O)CC1C2=C(NCC1)C=CC=C2)CC3=CN=C(N(C)C)C=C3,17F96C6EAA1A558A_8793B4BE46CCB77A_6031_UN,7.9334884,00000000000000000000000000000000000000100000000000000000000000000100000000100100001001100001010001101100110001010000001011110110010011010110001011011101011111111111110,RMHICJVWHMVADU-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3(OC)CCNCC3,AC3D5F6F8F0BB2F6_45D6B9BF692AD6C3_6041_DP,7.9330893,00000000100100000000000000000000000000000000000000000000010000100010000010000000001000100011010101101000100011011000101011000011110111010110001101110101110111111111110,DFSMUKNXLZZDDM-UHFFFAOYSA-N
+CCN4CCC1=C(C(=CC(=C1)NCCC3=NC2=C(C=CC(=C2)C)[N]3C)F)C4,6865739B6CABFB44_9835E07E8B174956_6041_UN,7.9329314,00000000000000000000000000000000000000100010000000000000000000000100000000010101101101110001010010101100110110010010101011100100110001110110011011011111010110101111010,ZEBAHDOSEQSCAJ-UHFFFAOYSA-N
+CN(C)[C@@H]1C[C@@H](C1)OC3=C(C2=C(N=C(C)C=C2)C=C3)Cl,E1936312FD98F5DF_24E35744A40C3EB2_6035_UN,7.932738,00000000000100000000000000000000000000000000000000000000000000000100000000100000000001110000010001100101010100010100100001100111000011100100011111001110100011101111110,YYTVCUCBPTULPA-TXEJJXNPSA-N
+CN(C)[C@@H]1C[C@H](C1)OC3=C(C2=C(N=C(C)C=C2)C=C3)Cl,9653ACE278FCC223_4882612E78012A79_6035_UN,7.9327283,00000000000100000000000000000000000000000000000000000000000000000100000000100000000001110000010001100101010100010100100001100111000011100100011111001110100011101111110,YYTVCUCBPTULPA-HAQNSBGRSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCCC3(COC)CCC3,84CF5049A88F3495_AD3ECFB8CAE021FA_6041_UN,7.9326777,00000000000100000000000000000000000000000100000000000000010000100010000000000000001000100001010000101000100011011001001000000010110011010110001001010001010111111111110,VGXLMKRTEZCSPG-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=C[NH]2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,53B8A052638D1BA5_16C7C8C65621F705_6041_UN,7.9325614,00000000000000000000000000000000000000000000000000001100000000100100000000010001101101100011011010101100010010010001101011101100110101010110001011011111010110101111010,PJJZQWMRTRUODC-HNAYVOBHSA-N
+CC5(C)CCC1=C(C2=C([NH]1)C=CC(=C2)NC[C@H]3[C@@H](OCC3)C4=CC=C(C=C4)F)C5,B7469D2A19993B0B_3F18B3B3F5D510BB_6041_UN,7.93166,00000000000000000000000000000000000000000010000000000000010000100110000000100000001100010011000011001100110101011001101011000100110111110110001011010111110111101111110,WPHNMECPGMRBIH-XDHUDOTRSA-N
+CC2=C[N]1C=CC=C(C1=N2)NC3CCN(C)C34CCCNC4,9A69300CEE045B59_85897BDD171969D3_6041_DP,7.930762,00000000000000000000000000000000000000100000000000000100000000000110000000010101101101100011010010101100110010011001101011100100110101010110001001011101010010101111010,ICSPFBAKRAHKAZ-UHFFFAOYSA-N
+C[N+](C)(C)CC=CC2=CC(=C1OCCCOC1=C2)C3=CC=N[N]3C,67B0A61260F38147_6A4E9D01FF7790BA_7019_UN,7.9304276,00000000000000000001000000000010000000000000000001001000010000100100000010110000100101100100011011011100010001001101001011101100000010000110011010011110110111111111110,BTHOUZNCMGIXIY-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC=CC(=C2Cl)F)(=O)=O)OC,0A80DF3C7F20A0E6_B0E8BC1EE69B26F3_6029_UN,7.930244,00000000000000000000000000000000110000000010000000010001001111001001010011000000011000011000011000001011101110011100011000001111001000101000100111111111110111111111110,JNNLKAPDNQBYAM-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC=CC(=C2F)I)(=O)=O)OC,5564E5A8EE8C2E84_1BBBDC147B791118_6029_UN,7.930212,00000000000000000000000000010000110000000010000000010001001111001001010011000000011000011000011000001010101110011100011000001111001000101000100111111111110111111111110,UEGDNGDKKRMVJE-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)NC[C@@H]3CN[C@@H]4CCCC[C@H]34,C9D0D3E01B40BA46_CBE07B7A3B6912A7_6041_DP,7.930094,00000000000000000000000001000000000000000010000000000100000000000100000000010101101101010011010010001100111110010000001011100100110101110110001011011011010110101111010,MXJMDMXGPAMJHR-OUCADQQQSA-N
+C2(=C1OCCCOC1=CC(=C2)C#N)NCC3(CCC3)C4=C(C=CC=N4)F,904A3A5C6345CF41_DCACDD1677FB16B4_6041_UN,7.9298453,00000000000100000001000000000000000000000110000000000000010000100110000010000000101000010111000101101100010101001100001011000100110011110110001011010011110111110111110,YKUNEXLFMVWEJK-UHFFFAOYSA-N
+CC1=CC(=CC(=C1)C)NCCN2CCC(N(C)C)CC2,2A3FC24C54C4CCFD_C25244A13153D135_6041_UN,7.929793,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001100001010000101000100010010000101001100000110001010110011001011101010110101111010,RGKVKVVIHZBJHS-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)NCCC3=C(OC)C=CN=C3,C762DEFC7A4C1AE8_6ADE4B251BC29175_6026_UN,7.9297132,00000000000000000000000000000000110000000000000001011001001111001101011001000100011000001000011001101110111010011100011101001111001001011100001111111011110111111111110,MPGOZIDTVBSKED-UHFFFAOYSA-N
+CC(C)(CC1=CC(=CC=C1)NC2CCCN3CCCCC23)C#N,569152742146DB66_CC661E0DBEBFE1FB_6041_UN,7.929713,00000000000000000000000000000000000000000100000000000000000000000010000000100001000001100011000000101100110000011001001001100000110001010110001001011101010110101111010,DEDOIBMDJSEWDN-UHFFFAOYSA-N
+CN(C)CC1=NC=CC(=C1)NCCC2CCCC(OC)(C2)OC,FD30FD37FA39C60E_33E4312BCBB31FE3_6041_UN,7.9291863,00000000000000000000000000000000000000000000000000000000000000000100000000100001101001100001010000101000100010011001101001110011110011010110011101011101110111111111110,UPADDFHATUXISQ-UHFFFAOYSA-N
+COC1(CC3(C1)CNCC(OC2=C(C=C(C)C=C2F)F)C3)OC,7F5C85A7519E12CD_DBD68BBDE8EB0245_6035_UN,7.92913,00000000000100000000000000000000000000000010000000000000000000000010000000000000001000110010010100101000010100001100100001010011100010100110010111100111110001111111110,SWBLITDYJSPMGT-UHFFFAOYSA-N
+COC1(CC3(C1)CNCC(OC2=C(C=C(C)C=C2Cl)Br)C3)OC,597CDD4B0088A74A_C908A668CA08B039_6035_UN,7.9291167,00000000000100000000000000000000000000000000001000000000000000000010000000000000001000110010010100101001010100001100100001010011100010100110010111100111110001111111110,LCOKBZOHMMHTDF-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC(=CC=C1)NC3CCC2(CCNC2)CC3,A5D57E4928462941_E6A2780102C7A92F_6041_DP,7.929017,00000000000000000000000000000100000000000000000000000000000000000010000000100100001100100011011010001000110000011000001001101000111101010110011001011101010010101111010,XSPVYQIGVSAEAE-UHFFFAOYSA-N
+C[Si](C)(C)C1=NC(=CS1)NC2=C3C(=CC=C2)CCOC3,E0914ED232AD1DA6_7832F154F21A850C_6041_UN,7.9288044,00000000000000000000100000000010000010100000000100000000010000000100000000100100010100101011010011100100011001001000001011000100110011010110011011011101010011101111110,YPLZOTAZBBWAKQ-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN(C)C)OC3=CC2=C(C=N[NH]2)C=C3[N](=O)=O,DC1C8D182F274C4C_37AD87E2FC7507AF_6003_UN,7.9279027,00000000000000000000000010000000000000000000000001001000100000010100011110100000100101100100011111001110010000000101000111101111001001010100111111101111110111111111110,QIVPKPHKHADPRG-UHFFFAOYSA-N
+N(CC[N]1C=CC2=C1N=CC=C2)C(C=CCN(C)C)=O,E14684F1B9DE1064_E583238D25F52558_6038_UN,7.9278464,00000000000000000000000000000000000000100000000000000000000000000100000000110101001101100001110010111100110000110001011011100100000000000110001000011101011110101111110,JUTQFYUCANRLQK-UHFFFAOYSA-N
+CC(C)C1=C(C2=C(N=C1C)C(=CC=C2)F)NC[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,AE27D09EFA7AF3D0_A569B18B8F4B043D_6041_DP,7.9274473,00000000000000000000000000000000000000000010000000000100000000100100000000100000101000110011000000101100110100010000001011000100110101110110011011010111010110101111010,QVRZYBNMNQNQRC-AZUAARDMSA-N
+C1(=CSC(=N1)C#N)NC(C)(C)C2=CC3=C(C=C2)OCCO3,B4583B9CAF3B9E39_013660B308803192_6041_UN,7.9272923,00000000000000000000000000000000000010100100000100000000010000000110000010100101010100001000000010100100010001001100001011000100000011010110001011010101110011111111110,ABXQCFBRSLGEFS-UHFFFAOYSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC4(CN)COCCN4,3AEE22491D5F2FC1_9F606B1A5121F954_6034_UN,7.926912,00000000000000000000000000000000000000000000000000000010010000100110000000010001101111100011000111101100110001011000001011100100110110000110001011011011010111100111110,VRAKMHLAPUCVHE-UHFFFAOYSA-N
+CN(C)[C@@H]1C[C@H](C1)OCC3=NC=C(C2=C(F)C=CC=C2)O3,CECEE803494B6FC3_83ECB246D188D9B7_6039_UN,7.9263773,00000000000100000000000000000000000000000010000000000000010000100100000010100000000101110000110111000000000101110000110011100111010011100100001110001110110111111111110,VRNRVRHABSMXRA-HAQNSBGRSA-N
+CN(C)[C@@H]1C[C@@H](C1)OCC3=NC=C(C2=C(F)C=CC=C2)O3,C1854C2C5BFE927B_EF8D842C0D85CD7C_6039_UN,7.9263506,00000000000100000000000000000000000000000010000000000000010000100100000010100000000101110000110111000000000101110000110011100111010011100100001110001110110111111111110,VRNRVRHABSMXRA-TXEJJXNPSA-N
+C(CCOC1CCCCC1)=CC2=CC(=C(C(=C2)C)OC(F)F)C,38BE6D1A4A455118_0A779FBE43AB037D_7019_UN,7.926035,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000010000001101000100001000000011110010100000000111010110110101011011110,YYIGMEWQTOGOAP-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC2=CN=C([S](C)(=O)=O)C=C2)CN(C)C,914447CC120102CC_C099513C83EEDEDE_7022_UN,7.9257393,00000000000000000000000000000000000000000000000100010001001111001101000001100001010001101001010101101010000010001101000001101111001001011100011111101111110111111111110,HOPARBNIHONETC-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCCC3(OC)CCC3,DABCD54CEA3F457F_EBB7D382D504B493_6041_UN,7.9251537,00000000000100000000000000000000000000000000000000000000010000000010000000010000001001100001010101101000100011011000101011100011110011010110001101011001110111111111110,FMQUMSDNRDYHIR-UHFFFAOYSA-N
+C1(=C(C=CC=N1)CN2CCCC2)NCCOCCN(C)C,821A61FFC0F6D6C2_EE6B4FAD8BB6D93D_6041_UN,7.92511,00000000000000000000000000000000000000100000000000000000000000000100000000110100101101100011010110101000100001010001101011100010110011010110001010011111010111101111110,RPNBZLHMPSZOBB-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)NCCC(OCC)C2CCCC2)Cl)C3CC3,A981C33AE5D82662_8CE8A745A93C3628_7022_UN,7.9246674,00000000000000000000001000000000000000000000000000000000000000100000000000000000001000010000000011001001100111010010001000000010110011110010000010010111110111101111110,LXNJGSFKATVFNB-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC[C@@H]2OCCN(C2)C3CC3,355BAC827B486BB0_A18062CCDB1FDA96_6041_UN,7.9232264,00000000000000000100101000000010000000000000000000000000010000100000000000110000101001100011010100101000000001011000001011100000110011010110011001011101110111101111110,WMPTWQLKFGIJEE-IBGZPJMESA-N
+FC2=C(C=C1C=C(N=CC1=C2)NCCOC3=CC=C([S](C)(=O)=O)C=C3)F,E76FF0B48867BBBC_8E48692E3A63F101_6041_UN,7.92279,00000000000000000000000000000000000000100010000000010001001111001101000001000100011000011000010100101110110101011100001001001111001011111110001111111011110111111111110,SYHMTEPDAPPORI-UHFFFAOYSA-N
+C2(=C1[NH]C3=C(C1=CC=C2)CCC3)NC4(CC4(C)C)C#N,04D27572AF359B21_BF3F7DC0EFA1265B_6041_UN,7.922542,00000000000000000000001000000000000000000100000000000010000000000110000000100001000100000011000010000100110000011001101001000100010101010100001010010111000010101111010,ZOHRLCBVKBNMIM-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NC3=CC(=C(N(C)C)C=C3)C,6336B82BC9CB7EC4_35FC02240EED8ADC_6041_UN,7.920664,00000000000000000000001000000000000000000100000000000000000000100010000000100000000001100000010000000000000000001000000000100100000001010000011011011111000010101111010,DWWMYGDQEIBRIB-UHFFFAOYSA-N
+CN2CCCN(CC1=C(C=C(C=C1)NCCCCCCSC)F)CC2,82A7E2F31E2C6387_B70E594EC2D5C045_6041_UN,7.9204936,00000000000000000001000000000000000000000010000000000000000000000000000000010001101001111011010000001000100110010001101011100000110001110110001010011111010110101111010,IEAMNVZNXCBFPU-UHFFFAOYSA-N
+FC1=C2C(=CC=C1)C3=C(N2CC[N+](C)(C)C)CCNC3,BF7F7C6D084A7F10_BAC05BDB07AF74CD_6034_UN,7.9203844,00000000000000000000000000000010000000000010000001000000000000000100000000110001101101110001010010101100110100011001101011100100110000100110011011011101010110101111010,FVJSVIPSVTTXLG-UHFFFAOYSA-N
+BrC1=C2C(=CC=C1)C3=C(N2CC[N+](C)(C)C)CCNC3,77E8978E21AE88BE_CED9234B4D36CFCB_6034_UN,7.920371,00000000000000000000000000000010000000000000001001000000000000000100000000110001101101110001010010101100110100011001101011100100110000100110011011011101010110101111010,QXHPABPTDYVRFG-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC=C(C=C1)NCCN2CCCCC2,0619406A3730B678_3C6568651CE5C5F2_6041_UN,7.9202957,00000000000000000000000000000100000000000000000000000000000000000000000000110101001001100001011000101000100000010000001001101000111001010110011001011101010110101111010,FFWBPNZRLHJGMN-UHFFFAOYSA-N
+C(N1CCNCC1)C3=NC2=C(C=CC=C2)N3CC4CNCCN(C)C4,C54DAF36EE8C1A50_6E99262287D0BA90_6034_UN,7.9202366,00000000000000000001000000000000000000100000000000000000000000000100000000010101101101100011010010101100110010010001101011100100110100000110001011011011010110101111010,KHUUJHRVFLUTJS-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)COC2=CC=C(C=C2)C(=O)CCl)C3,F41CDB8CE79A2576_CC51FCAF67CF1655_6035_DP,7.920071,00000000000000000000000000000000000000000000000000000000000000000000000000000000001100100001000010001101010001000100000001000111110010100110000111000001111101110111110,RLRJJJYXWURIMK-UHFFFAOYSA-N
+NCCC2=C1C=CN(C1=CC=C2)CC3(C)COCCN3,19F368E17AAF7CB8_915A4473998E2DE1_6034_UN,7.9200277,00000000000000000000000000000000000000000000000000000000010000000110000000010001001111100001000111101100110011011001101011100100110110000110001001011001010111101111110,ZUYZDQCGFKKPBA-UHFFFAOYSA-N
+O([C@@H]1CCCC[C@H]1O[C@@H]2CCCC[C@H]2F)C3=C(C=CC=C3F)OC(F)(F)F,4927D7660C3D025B_9DD05C49286662C2_6035_UN,7.919626,00000000000000000000000000000000000000000010000000000000000000000000000010000000000000010000000000000000001100001100001000000011110010100000000111110010100001010011110,APYQRYCIVZXBMB-DTZQCDIJSA-N
+CC(C)(OC2=C(CN1CCCC(N)C1)C=C(C=C2)Cl)[C@@H]3C[C@H]3Br,F41A0077D76BCCFA_45A3038D9EBD267E_6035_UN,7.9195094,00000000000000000000001000000000000000000000001000000000000000000010000000110001000011110011000001101001100100011100101001100011110001100110001111011111110111101111110,PJIDEHXHWQJNCS-ANGDWKNPSA-N
+CC(C)(COC2=CC(=C1OCOC1=C2)Cl)N3CCNCC3,20364412C0531E2C_4EC53AE7327A3575_6035_UN,7.9192305,00000000000000000000000000001000000000000000000000000000010000000010000010110001001101110101000110101101110111011101101011110011110000100110001111111101110111111111110,BTDGWNCFJDOTLZ-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC3CCOC2=C(C=CC=C2)C3,C4C9B0524C8678C8_596927CCA87F485C_6041_UN,7.917942,00000000000000000101100000000010000000000000000000000000010000000000000000100000000000100010010001000100110001011100001000000100110011010100010011011101110011101111110,NPZQNMDDTZIVEW-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)CC2=CN(C(=N)S2)CC3CNCCC34CCN(C)CC4)Cl,1052A9B8696D739C_112B1475BDFD4EDC_6034_UN,7.9172826,00000000000000000000000000000000000010000000000100000000000000000110000000010110111101111011010010101001111100011001101111100100110101110110001011011111010110101111010,WBDSNPSXGNXNPF-UHFFFAOYSA-N
+O(C3CCN(CC1=CC=CC=C1)C2(CC2)C3)CCCC(OC)OC,06EBAE5BD77EAA5F_4F325D88FAE7020C_6039_UN,7.9171734,00000000000000000000001000000000000000000000000000000000000000000010000000010000000001100000010001101000010011011000101001110011110010000110000101111100110111111111110,YMTIPRDVXBUZKV-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NC2CCNC3CCC23)F,969CCF9C3D40D88C_4691E5F13AFB3F6A_6041_DP,7.917141,00000000000100000000000000000000000000000110000000000100000000000010000000100000101000010011000000101100110100011000001001000000110101110100001011010111010010101111010,CZHYYBUPFTZEGV-UHFFFAOYSA-N
+C1(=C(C=NC=C1)C#N)NCC(C)(C)C2=CC3=C(C=C2)OCO3,2E16238388E2AE5C_0221F4EFA8894255_6041_UN,7.9165025,00000000000000000000000000001000000000000100000000000000010000000110000010100000101100000000000010101100010001001101000011010100000001010110001011000111110111111111110,ZJWQYYDEBOXIOS-UHFFFAOYSA-N
+CC(C)C1=CC2=C(C=C1)CCC[C@@H]2OCC3CNC4(CO3)CCC4,F9E93042092BF63C_58E85F6815D813AC_6039_DP,7.9155774,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000000011000101101100110001011000001011000011110010000110000111010101110111111111110,ICWIRJNVDQAODB-IJHRGXPZSA-N
+C1(=C(C=C(C=C1)C2=CC=CC=C2)F)NC4=C3CNCCC3=N[N]4C,CA773AABC9A33B90_178723C5284AD7A0_7022_DP,7.9154377,00000000000000000000000000000000000000100010000000001100000000100100000000010101101100110011011010101100110110010000001011101100110101110110001011011011010010101111010,QBPYGHTYOYUHRK-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)N=CC=C2)NCCCCCCC(N(C)C)=O,46F0C544136B1218_A339D2548F754C85_6041_UN,7.914501,00000000000000000000000000000000000000000000000000000000000000000100000000100000001001100011110000101100110010110000111001100100110011010100001001011101011110101111110,HKWJLSZADXLVMK-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)NCC4=C[N](C[C@H]3NCCC3)N=N4,366BBCE92C9EA209_86A74BE2248C1BF3_6041_DP,7.914243,00000000000000000000000001000000000000000010000000001000000000000100001000010101101101010011011010001100111110010000001011101100111101110110001010011011010110101111010,BRQYIXVKEQXKBS-NSHDSACASA-N
+COCC2(OC1=CC=C(C=C1)C(F)(C(F)(F)F)C(F)(F)F)CCNCC2,1D6446B35F3AA02E_3472E4B6A627AF06_6035_DP,7.91395,00000000000000000000000000000000000000000010000000000000000000000010000010000000001000100001010001101000101111011101001001000011110010100110000101010001110101111111110,CZBDUXGJRRTLIT-UHFFFAOYSA-N
+CC(C)(CC1=CC(=CC=C1)NC2CNCC23CCOCC3)C#N,6DE8ED778F8733D6_C359E21B4C6D85CE_6041_DP,7.913329,00000000000000000000000000000000000000000100000000000110010000000010000000100001101100100011000010101000110001011001001011000000110111010110001001010101010111101111110,LVVDGAHVMZLRAU-UHFFFAOYSA-N
+COC1=CC(=CC=C1)C(CNC(=O)CC2=CC3=C(C=C2)CCC3)N(C)C,DD22254B8C4000CA_FBA1FAD70BB77F84_6038_UN,7.9132557,00000000000000000000000000000000000000000000000000000000000000000000000000100001001001100000110010001100110000110100111000100111110010000000011111011101111111111111110,DJABUYWIMHPOPZ-UHFFFAOYSA-N
+FCC1=CC=C(C=C1)NCC2(CNC2)COCC[Si](C)(C)C,03DA09FC6C8B0602_AC5B153386BB7620_6041_DP,7.913191,00000000100100000000100000000010000000000010000000000100000000000010000000100000101000100010010001001000000001001001101001000010110111110110011000011101010111101111110,IKHAZUWIDHJTQN-UHFFFAOYSA-N
+O(C2(CC1=CC(=CC=C1)F)CCNCC2)C3=CC=C(N(C)C)C=C3,D1562F30ED426AE1_8A70950DD2CC0D86_6035_UN,7.9116464,00000000000000000000000000000000000000000010000000000000000000000010000000100000001001110001010001101000100100011100001001100111110011110110001101011101110111101111110,FMZVXRBHCLRDEE-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NC3CCN(CC2CC2)CC3)F,967B780247A961F1_0D42E20CFD979EA7_7022_UN,7.911188,00000000000000000000001000000000000000000010000000000000000000000000000000110000100001110010010000101000100100010001001001100000110001110110001011011111010110101111010,TYPNYBPVNPYXPZ-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)OC)CCCNC(C2=C(N(C)C)C=CC(=C2)[N](=O)=O)=O,7CD5C162E86237DE_720590EC2D27A91A_6038_UN,7.9105334,00000000000000000000000010000000000000000000000001000000100000010000001100100000101001100010111001001010100010110100011100101111001001011000111111111111111111111111110,HAYRCZBAEBTZDA-UHFFFAOYSA-N
+N3CC(OCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC(F)(F)C3,C7103A9046981ED7_0A9FBFD4ABD05774_6039_DP,7.910464,00000000000000000000000000000000000000000110000000000000000000000010000000000000001000110011000100101000000101001000001001000111110010100110001101010001110101100111110,LXCOWMHZOLEDIE-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CC2)C#N)NCC3C(C)(OCC3)C,A1E3588A4A53CC50_51588A9A084A4A6A_6041_UN,7.9104476,00000000000000000000001000000000000000000100000000000000010000100110000000100001101100000011000011101000000011001000101011000000110011010110001000010111110111101111110,OSYRXPWZUUBISL-UHFFFAOYSA-N
+COC2=C1C=C(N=CC1=CC=C2)NCCOC3=CC=C(C=C3)[N](=O)=O,68F966E47C142E00_3B1913F301831867_6041_UN,7.909799,00000000000000000000000010000000000000100000000001000000100000010100001100000100001000000000011100101110110001010100001101101111001011010110101101111001110111111111110,DYYXHYWIHIHQMB-UHFFFAOYSA-N
+CC(C)(C)[Si](C)(C)OC3(C2=C(C)C1=C(C(=CC=C1)F)N=C2)CCC3,4036BE42ECBDF883_6DADBBC2F6680023_2201_UN,7.9096603,00000000000100000000100000000010000000000010000000000000000000100110000000100000000000110000010001100110010110001000001001001111000010100100010111011110100011001111110,PWHXQALKNKDYBE-UHFFFAOYSA-N
+CC1=C(C(=NO1)C2=CC=C(C=C2)F)NC[C@@]34CCN[C@@H]3CCC4,212E1E65C1C65385_E85396D2B8866EE4_6041_DP,7.909057,00000000000000000000000000000000000000000010000000000100010000100110000100000001101100010011001111001110110110011000001011001100110101110110001010010011110110101111110,BPNSPJVIRNPOSH-CRAIPNDOSA-N
+CN(CC1=NN=C(C=C1)N[C@@H]2CCO[C@H]2C3=CC(=C(C=C3)F)F)C4[C@@H]5CNC[C@H]45,AD577094E7F66693_855D35BDADD89222_6041_DP,7.908806,00000000000000000000001000000000000000100010000000001000010000100100000000000101101101110011011111101000110111010001001011101100110111110110001011011011110111101111110,MQMZWFHBCPWLRG-PTWRVTDRSA-N
+C1CC(NC1)C3=NC2=C(C=CC=C2)[N]3CC4(CCNC4)C,68C315BDE8AD8437_6314B36BC949EBE0_6034_DP,7.90827,00000000000000000000000000000000000000100000000000000000000000100110000000010101101101100011000010001100110010011001101011100100110100000110001010011011010110101111010,FEERBBUYEMNQIY-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)N=C(Cl)N2CCOC3(CN)CCC(F)(F)CC3,5E5B533E7A29CE8E_3E921118D382FCAB_6034_UN,7.9072876,00000000000000000000000000000000000000000010000000000000000000000110000000010101001111010011000110001101011101011000001011100111110010100110001111011011110111101111110,LEOSSEKVFOINFH-UHFFFAOYSA-N
+CN(C)CC(OC1=NC2=C(C=C1)C=CC(=C2)OC(F)F)CN3CCNCC3,58944905025109C7_5C929BC07458B979_6035_UN,7.907186,00000000000000000000000000000000000000000010000000000000000000000100000000110001101001100001110101101100111110110101011011100111110010100110001101011101110111111111110,PYBYGFPKJTXUEK-UHFFFAOYSA-N
+CC1=C(C=CC=C1)C4(OCC3CCC2(CCCCCC2)O3)CCNCC4,1631B63457C00606_467A8545CB60411E_6039_DP,7.907134,00000000000000000001000000000000000000000000000000000000010000100010000010000000001100100001000011101000110011011000001011000011110010000110000111010011110101111111110,MYXJYELFBAZCTL-UHFFFAOYSA-N
+FCCC1=CC=C(C=C1)NCC(C2=CC=C(OC)C=C2)N3CCOCC3,4F95E9FB19D6DE40_59B59A3AE8617654_6041_UN,7.9063244,00000000000000000000000000000000000000000010000000000000010000000000000000010001001001100001010100101000000001010100001011100111110011110110001101011001110111111111110,BXQAXQAAPOXUSJ-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCCNC(C)(C)C)C3=CCNCC3,5E7EEB873B177BE1_7E0569AB01915996_6034_UN,7.9054437,00000000000000000000000000000000000000000000000000100000000000100110000000111000101101100011000010111100110010011000101011100100110100000110011001011101010110101111010,ZGIQQZNGPFKDFE-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3CC(CN)CC4=C(C=CC=C4)Cl,50B02C1217E2426A_A3BBF2DA8E2148D3_6034_UN,7.9046655,00000000000000000000000000000000000000000000000000000000000000100100000000010001101111010011000010101101110100010000001011100100110100100110001011011011010110100111010,XABDWBJENIDEOS-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3CC(CN)CC4=C(C=CC=C4)F,C53CEB1D12A92BC3_BC72A17CD33CA884_6034_UN,7.904665,00000000000000000000000000000000000000000010000000000000000000100100000000010001101111010011000010101100110100010000001011100100110100100110001011011011010110100111010,SFHFDIVYSWWGTH-UHFFFAOYSA-N
+C1CCC(NC1)C3=CC2=C(C=CC=C2)N3CC(CN)CC4=C(C=CC=C4)Br,1D52D04E2E92887A_07E585D4D5C64D24_6034_UN,7.9046593,00000000000000000000000000000000000000000000001000000000000000100100000000010001101111010011000010101100110100010000001011100100110100100110001011011011010110100111010,MPNYHNKJOTWINQ-UHFFFAOYSA-N
+CN(C)CC1=CN=C(C=C1)NC2CCC(C)(CC2)N3CCC3,5DD783B5AE0BC133_59B1F83D757E6C1B_6041_UN,7.9043026,00000000100100000000000000000000000000100000000000000000000000100110000000110100100001100010010000101000100010011001101011100000110001010110011001011101010110101111010,SHWYREBVURFFEU-UHFFFAOYSA-N
+O(CC1C(F)(F)C12CCC2)C3=CC=C(C=C3C=C)C#N,FECE26861FF2CB59_6E7621B7DD2A7DCD_6003_UN,7.9041433,00000000000100000000001000000000001000000110000000000000000000000010000000000000000000010000000000010000010101001100001000000011110000100000000110010010110101000111110,ATQCPBYKGOWOTD-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC(F)(F)F)NC[C@@H]2COC[C@H]2N(C)C,E4ED9AA9391D227D_56B4C323B11D7AA9_7022_UN,7.9037995,00000000000000000000000000000000000000000010000000000000010000000000000000100000101101100011010111001000001111011100100000100011110001110110001100001111110111111111110,FAFZKFDHKSELMR-ZWNOBZJWSA-N
+N3([S](=O)(=O)C1=CN=C(C=C1)C#N)C(CNC2=CC(=NC=C2)C#N)CCC3,A49D58FB30A12FB1_FA2F3CA73BBA30C2_7017_UN,7.903409,00000000000000000000000000000000110000000100000000010001001111001101000001010001111100001011001011101010001000011000011011101100111001011110001001011011010110110111110,HVMWLBGCSTVTMV-UHFFFAOYSA-N
+O=[N](=O)C1=C(C=C(C(=C1)C#N)NCC2=CN=C(S2)[N]3N=CC=C3)F,5EECDBC09E4E49F9_E7C9FA028F272351_6041_UN,7.902934,00000000000000000000000010000000000010000110000101001000100000110100001100010101111100011000001010001010001100000000000111101100001001110100001010001011010110110111110,WWNSMTKELFKVQD-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2(CCOCC2)C#N)NCCC3(COC)CCC3,2A2EA498312D723F_D50451CBEF925D83_6041_UN,7.902835,00000000000100000000000000000000000000000100000000000000010000100010000000000000001000100001010000101000100011011001001000000010110011010110001001010001010111111111110,XGMVXZUSOCOEQW-UHFFFAOYSA-N
+CC1=N[N](C(=C1NCC3(C)CCOC2(CCC2)C3)C)C4=CC=CC=C4,2892C85B48DAF07E_EE48E0E192FB35C2_6041_UN,7.9024324,00000000000100000000000000000000000000000000000000001000010000100110000000010001101100000011001010101000010011001001101011101100110011010110011011011111110111101111110,SIWZNADXIJFOPC-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)N4CCC(COCC3CCC2(CCNCC2)CO3)C4)F,8F05D699D7A03624_8DE4EB188DB90BD9_6039_DP,7.9020386,00000000000000000000000000000000000000000010000000000000010000100010000010010000001101110001000011101000110101011000001011100010110011110110001011011011110111111111110,UZPYWRZWSOXTFS-UHFFFAOYSA-N
+CN(C)CC(OC1=CC2=C(C=C1)CCCN2)CN3CCNCC3,9950DD0963EB3871_5FC9BD149A771079_6035_UN,7.901105,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001100011010101101100110010010101001011100011110110010110001111011101110111101111110,RSKFBHNTWLHOFG-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CC2)C#N)NCC3C(CCCN3C)(C)C,ED9505DD5AD91145_4163A1F90FF69E6F_6041_UN,7.900933,00000000000000000000001000000000000000000100000000000000000000100110000000110001101001100001010000101000000010011001101011100000110001010110011001011111010110101111010,YOQINSRFAZYGQV-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CC2)C#N)NCC3=C(C=C(N(C)C)C=C3)C,2CE98F51AB9412A7_F7D342B1C2684311_6041_UN,7.9004655,00000000000000000000001000000000000000000100000000000000000000100010000000100000001001100000010000001000000000001000100000100100000001010000011011011111010110101111010,DYCJFNBFRLAZEP-UHFFFAOYSA-N
+COC3(C[C@@H]4CC(COC1=C(C2=C(C=C1)N=CC=C2)Br)C[C@H]34)OC,1D40CEAF3B5BFAE7_72EB4E3AFBCC7AB9_6035_UN,7.900388,00000000000100000001000000000000000000000000001000000000000000000100000000000000000000010000010010100100010111001100100001010111110010100100000111100110110111011111110,CJEPFPSOLFFTDX-MHEXWIEDSA-N
+CN4CCCN(CC1=C(C=C(C=C1)NC3=CC2=C(N(C)CCO2)C=C3)F)CC4,D178FA73898D00DD_861AF57D3D2EB455_6041_UN,7.8997583,00000000000000000001000000000000000000000010000000000000010000000000000000010001100001110000010101101100010111010101101011100100110011110110001011011111110111101111110,WGXZIKGXAWGUEA-UHFFFAOYSA-N
+C1(=CC(=CC=C1)COC2CCOC2)NC3CCN(C)C34CCCNC4,83920F06D614230C_834FB609B07F09EC_6041_DP,7.8997483,00000000000000000000000000000000000000000000000000000100010000000010000010010001101101100111010010101000110011011001101011100011110111010110001101011001110111111111110,PDVBAVPZNRMPDH-UHFFFAOYSA-N
+CN(C1[C@@H]2CNC[C@H]12)C3=NC(=NC=C3)NCC(OC)C4CCOCC4,3AB06C223AE2C669_1F322E16CD7150A0_6041_DP,7.8978868,00000000000000000000001001000000000000100000000000000000010000000100000000000100101101100001010110101000011011000000101011100010110111010110001001011101110111111111110,XMQKBVUNDRBKJU-KWOWKCNFSA-N
+COC3CC(COCC2=CC(=C(OC1=C(F)C=CC=C1)C=C2)F)C3,5FCE773FCA2A8E59_83BCABEE2C256988_6039_UN,7.8966403,00000000000100000000000000000000000000000010000000000000000000000000000000000000000000110000010000000000000101000100100000000111100010100010000111100010110101011011110,VALMYCABJANCIK-UHFFFAOYSA-N
+FC2=C1C=CC=CC1=C(N=C2)NC3=CC=CC4=C3OCCC4N(C)C,6DCD2B2B1E165637_5E8EB3285693D4CF_6041_UN,7.8952794,00000000000000000000000000000000000000100010000000000000010000000100000000100100000001110001010101100100010111010100101011100100000011110100001011011101110011101111110,GFVJYBFGZFOJHW-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=CC=C2)NCCCCCCC(N(C)C)=O,7E8682CCCD9EC922_2DF9A866FB751A27_6041_UN,7.895224,00000000000000000000000000000000000000000000000000000000000000000100000000100000001001100011110000101100110010110000111001100100110011010100001001011101011110101111110,XQUUXBLKCVGFLJ-UHFFFAOYSA-N
+CC2=C1N=CC=CC1=CC=C2N[C@@H]3COC[C@H]3N(C)C,8C56B03492A671A9_58C0CDD7753C448F_6041_UN,7.894992,00000000000000000000000000000000000000000000000000000000010000000100000000100001100101100011010111100100110011010000100011100100010001010110011011001111010011101111110,IHJQZPLLKYUCOX-HUUCEWRRSA-N
+C(#CCNC1CCNCC1)C3=CC=C(CC2(C)NCCC2)C=C3,428589CF3AA4DA41_9B9DCABE02515EAC_2267_UN,7.89404,00000000000000000100000000000000000000000000000000000100000000000010000000000000101100100011000010101000100010011001101011000000110101000110001001010001010110101111010,NDBOHOLAWHLOPG-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@H](CC1)OC2=CC(=C(C=C2)OCC3CC3)Cl,0B4FB6C84A8CA57B_2C0FEF4C2984DCB9_6035_UN,7.8938484,00000000000000000000001000000000000000000000000000000000000000000000000000100000000001110000010011000001000111010100101000100011010011100000000110011110110111111111110,VWORGKXURORDLD-KGLIPLIRSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NCCC3CC(C)CC(C3)(C)C,3FFE611C6B0B26F1_2BBC9CE5764CCE59_7022_UN,7.893381,00000000000000000000000000001000000000000010000000000000010000000010000010100000001100010001000011001100110111011101001010010000110001110110010011010111110111111111110,KIDGBYGEWMEABJ-UHFFFAOYSA-N
+C4CC1=C(C3=C(N1CC2=C(N(C)C)C=CC=C2Cl)C=CC=C3)CN4,302703A48A732B18_CFBD3C954ABB1304_6034_UN,7.8930287,00000000000000000000000000000000000000000000000000000000000000000100000000110000101101110001010010101101110110010000001011100100110001110110001011011111010110101111010,MREOHFFPIAOWPA-UHFFFAOYSA-N
+C[N]1C=CN=C1C(OC2=CC=C(C=C2)C3NCCNC3)(CC#N)C(F)(F)F,1E2A6783CF96B8B3_30DD2F10A488C616_6035_UN,7.89301,00000000000000000000000000000000000000100110000000000010000000100110000000010101001101100001010111101000101110011100001011100111110110100110001111011011110111101111110,SJAIMRSNUUQNIR-UHFFFAOYSA-N
+O(CC2=NC1=C(C=C(C=C1)F)O2)CCC3(CCNCC3)C#N,83E4AC7AED14294D_34C8523DD4D6E140_6039_DP,7.8921723,00000000000000000000000000000000000000000110000000000000010000000110000010000000001100110001100110101100110101111000011011000110110010100110001001010001110111110111110,FYEMIIYGWLTMGM-UHFFFAOYSA-N
+NC2(CCOCC1=CC(=CC=C1)C#N)CCC(F)(F)CC2,490F9FE81148AC96_F0538F5E5500ECB6_6039_DP,7.891858,00000000000000000000000000000000000000000110000000000000000000000010000000000000000010110010000001000000100101011000001000000010110011100010001001010001010111100111110,FVRLUIQOZCNQKR-UHFFFAOYSA-N
+CC4CCC(OCC3CC1(CC2(C1)OCCO2)CO3)C(C4)OCC5=CC=CC=C5,7BD3C574080DA51B_370202DAEECC13CE_6039_UN,7.891678,00000000000100000000000000000000000000000000000000000000010000000010000010000000000100000000000010000000010001001001101010010011110010000110100101110010110101011011110,DAZSLWNUNUXZGV-UHFFFAOYSA-N
+CC(OCC2COC1(CCCCC1)O2)C4=NC3=C(C=CC=C3)O4,E722817A77ABF76D_F4100474870A65EE_6039_UN,7.8911443,00000000000000000000000000000000000000000000000000000000010000000100000010000000000100000100100110000100010001101000111011010110110010000110100001110000110111011111110,JVOJMKIVTXQBID-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)OC2CCCC2)NCCN(C)CC(F)F,B418953047E91365_2FB6401681E8AEA6_7022_UN,7.891135,00000000000000000000000000000000000000000010000000000000000000000000000000000001001001100001010110001000100100010101101000100011010011110010001110011111110111101111110,KFBMUTBWNFORBG-UHFFFAOYSA-N
+NCC(OC2=C1CNCCC1=C(C=C2)F)C3CCOCC3,73226D4BACCCDDCB_1AE852BDCACE3CB9_6035_UN,7.8902073,00000000000000000000000000000000000000000010000000000000010000000000000000000000001010110001000101101100110101010100001011000011110110100110001111010001110101110111110,DZRIOXRACCJJMT-UHFFFAOYSA-N
+COC1(CC3(C1)COC(COC2=C(N)C=C(C(=C2)Cl)C(F)(F)F)C3)OC,873959DC31BA7C6D_86DD8A75388575D7_6035_UN,7.88978,00000000000100000000000000000000000000000010000000000000010000000010000010000000000110010001010110000001011101001100100000010011110011110110100110100111110111111111110,HYVGHCYLPWESET-UHFFFAOYSA-N
+COC1(CC3(C1)COC(COC2=C(N)C=C(C(=C2)F)C(F)(F)F)C3)OC,540CBB0F66CA1E35_7FE0DCB012BD1DEB_6035_UN,7.8897715,00000000000100000000000000000000000000000010000000000000010000000010000010000000000110010001010110000000011101001100100000010011110011110110100110100111110111111111110,FALFUZCHADPJRD-UHFFFAOYSA-N
+COC1(CC3(C1)CNCC(OC2=CC(=C(C=C2)Br)C(F)F)C3)OC,4D92E1D3FE472F07_1046E9AB1A379208_6035_UN,7.888993,00000000000100000000000000000000000000000010001000000000000000000010000000000000001000110010010100101000010100001100100001010011100010100110000111100111110001111111110,QHUHLVPPTMCZQP-UHFFFAOYSA-N
+C2(=C1C=C[NH]C1=CC(=C2)C#N)NCC3N(C)CC4(CC3)CCC4,35F8D00F7BC8B5FE_1FBB33C9FE06C141_6041_UN,7.8887696,00000000000100000000000000000000000000000100000000000100000000000110000000010001101101100011010010101100010010011001101011100100110101010110001001011011010110101111010,CJWXWHOSGYQYHV-UHFFFAOYSA-N
+O[C@H](CF)C1=CC(=CC=C1)NCCN(C)C2CCOCC2,D73F76237D784CBE_FCA8D3FDFE98641C_6041_UN,7.887294,00000000000000000000000000000000000000000010000000000000010000000000000000000001001001100000010001101000100011010001101000100000110111110111001001011001110111111111110,ZDLCFZBPRKTOFF-MRXNPFEDSA-N
+O[C@H](CCl)C1=CC(=CC=C1)NCCN(C)C2CCOCC2,CA43861902D68331_B1060F7CC943CF4B_6041_UN,7.8872566,00000000000000000000000000000000000000000000000000000000010000000000000000000001001001100000010001101001100011010001101000100000110111110111001001011001110111111111110,XBYSJNXECKOHHB-MRXNPFEDSA-N
+CC1(C)COC2=C1C=CC(=C2)NCCCN3CCCN(C)CC3,C5D6983FB2DC7FFA_B2320C7FA6C0C16A_6041_UN,7.8869214,00000000000000000001000000000000000000000000000000000000010000000010000000110001101101100010010011001100110011011101101011100000110001010110011010011101110111101111110,WWHQCZZQJICKJW-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)O[C@H]2CCCOC3=C2C=C(C(C)(C)C)C=C3)Cl)C4CC4,0E7856710A60B1E2_A7A1AD446B280DD8_7022_UN,7.886542,00000000000000000001001000000000000000000000000000000000010000100010000000100000000000010100000000000101010111001100001000000111000010100100010111010110110001011011110,IPOHKQQJEBVXTR-QFIPXVFZSA-N
+NCC(OC2=C1CNCCC1=C(C=C2)F)CN3CCOCC3,53F4C90A66FC2232_C8020225D139A246_6035_UN,7.8852806,00000000000000000000000000000000000000000010000000000000010000000000000000010000101011110011000101101100110101010100001011100011110110100110001111011001110101110111110,XMTCDXVNMNMOSF-UHFFFAOYSA-N
+O(CC1(CC#N)COC1)CC2OCCC3=C2C=CC=C3,8836901CAB50E342_DDA4EEF09AD4A484_6039_UN,7.8852367,00000000100100000000000000000000000000000100000000000000010000000010000010000000000000100100000000100100010001011000001010000010110010000110000011110000110101010111110,YIRIAENFVDTQSE-UHFFFAOYSA-N
+CCNC5CCC1=C(C4=C([N]1CC2=CC=CC3=C2CNCC3)C=CC(=C4)Cl)C5,F71928EC4B41608C_19EE851BC9A31A0A_6034_DP,7.884965,00000000000000000000000000000000000000000000000000000000000000000100000000010000001101110011000010101101110110010010001011100100110101100110001011011001010110101111010,LDJVOZXAVIHKDW-UHFFFAOYSA-N
+CC(F)(F)C1=CN=C(C=C1)COC3=CC=C(CNCC2N(CC)CCC2)C=C3,D0D9F34A98CDE4F6_7B73ED26417B4299_6035_UN,7.8845463,00000000000000000000000000000000000000000010000000000000000000000100000000010001001101100011000110101000000111011110101011100111110000100110001101011111110111101111110,BUZBILRGRBEFPX-UHFFFAOYSA-N
+O[C@@H](CBr)C1=CC=C(C=C1)C2=CC=C(C=C2)NCC3(OCC)CCOCC3,A6BFBA54ED0872D6_69EC96BCF8086D5D_6041_UN,7.8844566,00000000000000000000000000000000000000000000001000000000010000100010000000000000001000100111000100101000100011001010001000000111110111110111000101110001110111111111110,SPXPFTXFXMTQGX-NRFANRHFSA-N
+COCC(OCCN1CC(C)CC(C1)C)CN2CCOC(C)C2,43372F53F1BAD4F0_63AB2D41436CDCE5_6039_UN,7.8842926,00000000000000000000000000000000000000000000000000000000010000000000000010010000000001100000010101101000000011010001101011100010110010000110011001111100110101111101110,IKSAIZBHSKBDPM-UHFFFAOYSA-N
+CN1CCC[C@H]1C2=C(N=CC=C2)NCC4=CC(=C(N3CCN(CC)CC3)C=C4)F,A675E8260DA6F971_06866EB7E2B903D6_6041_UN,7.8842144,00000000000000000000000000000000000000100010000000000000000000100100000000010101101101110001010010101000000110010011101011100100110001110110001011011111010110101111010,KHJGEBWELRONSR-NRFANRHFSA-N
+CC(C)(CC1=CC(=CC=C1)NCC3CN2CCCCC2CO3)C#N,6C6EEB70471BB453_95984976AF16DAA0_6041_UN,7.8841605,00000000000000000000000000000000000000000100000000000000010000000010000000100000101001100011000100101100010001011001001011100000110011010110001001011101110111101111110,GAXDXMZDXSDGLL-UHFFFAOYSA-N
+CN(C)CCC2(OC1=CC(=C(C)C=C1)C)CCNCC2,4E256EF6CE496E29_372EA4A307B2484A_6035_UN,7.884157,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100001010001101000100000011101101001100011110010000110011111011111110101101111110,YXZLFBJYTAAGHG-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC2CCOC23CCCC3,3694A58CA60D4A14_27C5BB58B7D9A981_6041_UN,7.8835344,00000000000000000100100000000010000000000000000000000000010000000010000000100000000100100011010111000000110001011000001000000000110011010100010000011101110011101111110,ZXQLMSHIORUCEN-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC(=C(C=C2)OC3CCOCC3)C,21C523C34070CE89_E70078BEF5639AD0_6041_UN,7.883162,00000000000000000000100000000010000000000000000000000000010000000000000000100000000000100110010000100000000001001101001000000111110011010110010111011111110111111111110,XIXQRDXTZOTEDT-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)N[C@H]3[C@H](SC)CCCC3,1D52F280FA9D012D_4D5F3F7DC0A3F8AB_7022_UN,7.8824806,00000000000000000000000000000000000000000000000000000000000000001000000000000000010000011011010000000101110110010000101000000100110001110000000001010011000010101111010,MVCXBJRHEQZLMJ-IAGOWNOFSA-N
+CC(F)(F)CC(N)COC1=CC=C(C=C1)C2CNCCC2,68923A917FF74E29_80ABE8FC64BDD366_6035_UN,7.8824644,00000000000000000000000000000000000000000010000000000000000000100000000000000000001010100011000100101000100111011101001001000011110100100110001101010001110111101111110,MBCRUAIOWNIXLD-UHFFFAOYSA-N
+NC[C]1(C[C]2(C1)C[C](C2)(F)F)COC3=CC=C(C=C3)C4CNC4,DC85B8C0D080880C_31350F1A043FFEE7_6035_UN,7.881418,00000000100100000000000000000000000000000010000000000000000000100010000000000000001010110010000001001000010101001100000001000011100100100110001100000001110101100111110,BUGGBIFSJFTBIW-UHFFFAOYSA-N
+C2(=C1C=CC=C(C1=CC=C2)C#N)NCC3(N(C)C)CCOCC3,8E92A13F28ED1F32_2345DF7676B17685_6041_UN,7.8813415,00000000000000000000000000000000000000000100000000000000010000000010000000100001001001100011010001101100010011011000101000100100110011010110001001011101010111101111110,AGVHLAQDBCPXNY-UHFFFAOYSA-N
+N3CCC(COCC2COC1(CCCC1)O2)(CC3)C4=CC=CC=C4,B15F785FEEFC152E_584A81E814124557_6039_DP,7.8809557,00000000000000000000000000000000000000000000000000000000010000100010000010000000001100100101000010101000110001011000001011010010110010000110000001110001110101110111110,RYJXWBPQTBGUAX-UHFFFAOYSA-N
+CC(OCCN1CC(C)CC(C1)C)CC2CCCCN2C,98D1217A015B6737_F30AEE4E912D21C3_6039_UN,7.8794684,00000000000000000000000000000000000000000000000000000000000000000000000000010000000001100000010101101000000011010001101011100010110010000110011001011110110111101101110,PAJPRWWAXCVKCB-UHFFFAOYSA-N
+C1(=NC2=C(C=C1)OC=C2)NC3=CC=C(CN=[S](N(C)C)(=O)C)C=C3,CE9679622BACA590_BE31B353CB4BF9D3_6041_UN,7.8786755,00000000000000000000000000000000110000100000000000010000011011000101000001100100010100101000011111101110011010001000110111101100001001010100011001001101110110111111110,DFQDZMYQMWCNKL-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OC(C2)C3OCCO3)NC4=C(N(C)C)C=CC=C4,B856B34584CB8EA3_AE129F7739979DE8_6041_UN,7.878003,00000000000000000000000000000000000000000000000000000000010000100000000010100001000101100001010010000100010001000100001010110100100011010110001011111111110011111111110,MOMXEFSPJWLMRF-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCCC2=C(N(C)C)N=CC=C2)[S](=O)(=O)F,AA8D4756872A2F0A_81ED43E29BCD9CF8_6041_UN,7.8774385,00000000000000000000000000000001000000100010000000010001001111001101000001100100011001101000010001101010101110011100001001101111001001111100011111111111110111111111110,RMBQWNVKPGIMCO-UHFFFAOYSA-N
+COC1=CC3=C(C(=C1)NCCCCN2CCN(C)CC2)C=CO3,0195E1947A774C04_E3FFB49F7AC3BB34_6041_UN,7.877411,00000000000000000000000000000000000000000000000000000000010000000000000000010001001101100111010011101100110000010101101011100111110001010110001101011101110111111111110,BARPRJZNCWVUTJ-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@H](CC1)OC2=C(C3=C(C=C2)[NH]C(=N3)C)CN4CCOCC4,EC5CC8466C6CFFBA_E1D7D76F7F4CB364_6035_UN,7.877391,00000000000000000000000000000000000000100000000000000000010000000100000000110101100101100001010111101100010011010100101011100111110011000110011111011111110111111111110,AHYLCTQOQYITBN-CVEARBPZSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC3CCC2(CCNC2)CC3,6EAC015FE5728DB9_44EC45E271EB7988_6041_DP,7.8765316,00000000000000000100100000000010000000000000000000000000000000000010000000100000001100100011010010001000110000011000001001000000110101010110011001011101010010101111010,NZJUYVANBYZHGZ-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)OCC2=C(C=CC=C2)Cl)NCCS[S](C)(=O)=O,F81B5DF049242D38_67DE743CC584F154_7022_UN,7.876446,00000000000000100000000000000000000000000000000000010001001011000001000001000000011000011001010100001011101111011100101000001111001001111010000111111111110111111111110,DFBUOTUOICTBMF-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C(=CC=C2)F)NCC4=CC=C(CN3CCOCC3)O4,FC3078C691CF33B0_B570B72AC11065DF_6041_UN,7.8759427,00000000000000000000000001000000000000000010000000000000010000000100000000010101001101110000010110101100011111010000001011100100110011110110001011011011110111111111110,IZNHMWWCMATJSG-UHFFFAOYSA-N
+N4CCC1(CC1(CN)COC2=CC=NC3=C(C)C=CC(=C23)Br)CC4,434098AF8C279FA0_887CDDEE91C73F47_6035_DP,7.87573,00000000000000000000001000000000000000000000001000000000000000000110000000000000001010110011000001101100110101011100001011000111110100100110001101010001110111101111110,KTHSYZMQXVTBTJ-UHFFFAOYSA-N
+O(C1(CC1)C2=C(C=CC=C2)F)CC3=CC(=C(N(C)C)C=C3)C,6891F317AC8C26DA_B8DD74EE20966A2E_6039_UN,7.8747783,00000000000000000000001000000000000000000010000000000000000000100010000000100000000001110000010000000000000111001000000000100111110011110000010111011110110111101111110,KNDFSPVRBXCDEB-UHFFFAOYSA-N
+CN(C)CC1(CCNCC1)OC2=CC3=C(C=C2)SC(=N3)SC,60CEAAB43BB51F94_3C8C16E167309917_6035_UN,7.874424,00000000000000000000000000000000000010000000000100000000000100001110000000100000011101101001010111101100111010011101001011100111110010000110011101011101110111101111110,AJQFDXNOBIETAA-UHFFFAOYSA-N
+CCCCCOC1=NC=C(C=C1)NCCC2=CC=C(C=C2)[N](=O)=O,5EB1CAE747E0C65A_249F4CDF3BE43D8D_6041_UN,7.8734064,00000000000000000000000010000000000000000000000001000000100000010100001100000001001000000000101000101010100011110111111101101111011011010110001101111001010111111111110,HZOMKGNXTVFLMH-UHFFFAOYSA-N
+N1CCC(CC1)C(C)(OC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)CN,BE9363665EB19655_2991439A2BAEC822_6035_DP,7.8732133,00000000000000000000000000000000000000000010000000000000000000100010000000000000001010100001000100101000101110011101101001000111110110100110001101010001110101101111110,RIIQHCIDRZQKEM-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)NC2=CC=CC3=C2CNCC3,EE308DA02013BA92_0252B324412130AD_7022_DP,7.8727293,00000000000000000000100000000010000000000000000000000100000000000000000000100000101000100011010000101100110000011000001001000100110101010110011011011101010010101111010,CNDWILKPEFYIQX-UHFFFAOYSA-N
+FC1=C(C=CC2=C1CCC2)N[C@@H](CN(C)C)C3=CC=CC=C3,8204CA8EBF007AF7_6FC775CE88C75D26_6041_UN,7.872653,00000000000000000000000000000000000000000010000000000000000000000000000000100001000001110001010010001100110100010001001000100100010001110000001011011111010110101111010,JVBYABIJLSPMDU-SFHVURJKSA-N
+C[Si](C)(C)C1=CC(=CC=C1)NCC2CN(CCC2)CC#N,8BFC6B68E893DD7B_DA3F1E80438B806D_7022_UN,7.8724656,00000000000000000000100000000010000000000100000000000000000000000000000000110001101001100011010000101000000000011000001001100000110001010110011001011101010110101111010,QMIFIJYPLBWPDT-UHFFFAOYSA-N
+COCC2(COCC(C1=CC=C(C(F)(F)F)C=C1)(F)F)CCC=C2,715F3609656DAF2D_51FEB1FDFEB4F45A_6039_UN,7.872257,00000000000000000000000000000000000000000010000000000000000000000010000000000000000000100100010010010000001111001001001000000010110000100010000000010000010101011011110,RQCDGXADKCVRDU-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=CC=CC(=C3)CO,86640EE2A960C754_5F81DCDD949AD810_7022_DP,7.8712516,00000000000000000000001000000000000000000110000000000000000000100010000000000000001000010000000000001000000101001000000000000100100101110011001011010011010111100111110,BXXNHSHUQMQCSE-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC=C2)CC3(CCOCC3)C(F)(F)F,48C966EDAC7AB0EF_F1125B556058C93C_6034_UN,7.871005,00000000000000000000000000000000000000000010000000000000010000000110000000010000001111100000000010101100111101011000001011100100110010100110001001011001010111100111110,YMJHGKXKIXIQAJ-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC2CCNCC23CCC3,E6D71D011C3D1BC9_044C657D08422A1D_6041_DP,7.870927,00000000000100000100100000000010000000000000000000000100000000000010000000100000101000100011010000101000110000011000001001000000110101010110011001011101010010101111010,KJTCGVUXRPXJJA-UHFFFAOYSA-N
+CC(C)(C)C1=CC=C(C=C1)NCC2CCN(CC2)CC#N,E8128A309D099356_A5E993666FE1255F_6041_UN,7.870754,00000000000000000000000000000000000000000100000000000000000000000010000000110001001001100011000000101000000000011000001001100000110001010110011001011101010110101111010,SGVTZSCQVSZGDV-UHFFFAOYSA-N
+F[S](=O)(=O)CC1=C(C=CC=C1)NC2=CC=C(C=C2)OC3=NC=C(C=C3)C#N,E725A0676BB10F9C_100C144278F48350_6041_UN,7.8697925,00000000000000000000000000000001000000000110000000010001001011000101000001000000100000001010100000100010001100101100010001001111001011111100001111101011110111110111110,SKIBSWVPDCTJGW-UHFFFAOYSA-N
+O(C3CCN(CC1CCCC2=C1C=CC=C2)CC3)CCC4CC(CC(C)C4)C,41E3F0EEA3CE0951_050ACFACB867BF1F_6039_UN,7.869298,00000000000000000000000000000000000000000000000000000000000000000000000000010000000001100000000001101100010011010001001001100011110010000110000111011100110101101111110,RGAJDBWKMQPATA-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)CSC)NCCCOC2=CC=CC(=C2)OC,CA25CED6D0371DF3_3F908E2FE1BCA6AA_7022_UN,7.868968,00000000000000000000000000000000000000000000000000000000000000000000000000000000001000101111010101001000100001010101001000000111000011010010010111110111110111111111110,CWTAWBMJBOPCGR-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]C3=C2CCCC3)NC4(CC4(C)C)C#N,8BF7194C4635A556_C6DBB4D33A2CB37A_6041_UN,7.8684125,00000000000000000000001000000000000000000100000000000000000000000110000000100001000100000011000010000100110000011001101001000100110101010100001011010111000010101111010,DHBWUJOZERPGPD-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NCC3(SC)CCN(C)CC3,A5DC7DE5A3646424_F256C9E3A4639722_7022_UN,7.868314,00000000000000000000000000000000000000000000000000000000000000001010000000010000011001111011010000101101010110011001101001100100110001110110001011011111010110101111010,PTSGYPFMGLGDNC-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NCC3(SC)CCN(C)CC3,B5EB3AB98A7CE32E_A2B681D54FE8F354_7022_UN,7.868311,00000000000000000000000000000000000000000000001000000000000000001010000000010000011001111011010000101100010110011001101001100100110001110110001011011111010110101111010,YWIMOOYHNGODSA-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NC4=CC3=CC=NC(=C3C=C4)N(C)C,A55A8FC3D822D2EE_70D23644C603DF63_6041_UN,7.86752,00000000000000000000000000000000000000100010000000000000010000100110000000100100000001110000010000100100010101001000001011100100110011110110001001011101010011101111110,AXUXRBOIZLDDKN-UHFFFAOYSA-N
+CC1(C)OCC2=C1N=C(C(=C2)C#N)NCC4=C3CCCC3=CC=C4,F0B7B89A2BD390C1_D6FF9375731E267A_6041_UN,7.86689,00000000000000000000000000000000000000100100000000000000010000000110000000100100101100000001000111101100010011001000101011000100110001010110001011010111110111101111110,KLYMYTFNLWXZFO-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C(CCCO2)OCCN3CCOCC3)NCCC4(COC)CC4,885735426FCB16B9_6C5EAA8D1A37103F_6041_UN,7.8660164,00000000000000000001001000000000000000000000000000000000010000000010000000010000001001100101010101101100110011011101001011100011110011010110101111111001110111111111110,TWCZUZSZUIXGJT-UHFFFAOYSA-N
+N3CCC(OC1=CC2=C(C=C1)SC=C2Br)(CC#N)CC3,367FD0BF6AABEA26_D9C3F4AD7D3E72D8_6035_DP,7.865854,00000000000000000000000000000000000010000100001000000000000000000010000000000000011100111001000011101100110100011100001011000111110010100110001101010001110101100111110,FPUNVPOUJHVKQN-UHFFFAOYSA-N
+C1(=CN=C(N=C1)C#N)NCC(C)(C)C2=CC3=C(C=C2)OCCO3,737D4A3ABF6030EC_B0973330FC0768E8_6041_UN,7.865212,00000000000000000000000000000000000000100100000000000000010000000110000010100101101000000000000000101100010001001101001011000100000011010110001011010101110111111111110,NJYJABDWUSZLRH-UHFFFAOYSA-N
+O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NC3=C(C=C(OC2=CC=CC(=C2)OC)C=C3)C,6EEED9B6CA0E6C39_45EBAF70CDD529F6_6041_UN,7.864944,00000000000000000000000000000000000000011000000011011101001111001001011001000100010000001100011001000010001000001100000100001111001101011001101111101111100011111111110,KUCGCGVBJOIDDU-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(N=C(C=C1)NCC2=C(C=CC=C2)N3CCOCC3)F,42581D737DF0C96C_60F69DC5DEA79899_6041_UN,7.863748,00000000000000000000100000000010000000100010000000000000010000100100000000110100101001110000010100101000000101011000001011100100110011110110011011011111010111101111110,IZQPRPBEPOADCG-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CC2CCC2)NCC3(CC(OCC)C3)N4CCOCC4,EC4D768E2136079A_FBCA7748DB61DF5B_6041_UN,7.8627963,00000000000100000000000000000000000000000000000000000000010000100010000000010001001001100011000101101000000011011010001011100011110011010110001101011001110111111111110,LPIFIUYODGKTPM-UHFFFAOYSA-N
+CC(OC[C@@H]1N(C)CCC1)C2=C(C=CC(=C2)C)OC(F)F,3F3DEBD2FDBC3D4D_2A147DBD18ADA3B8_6039_UN,7.8625183,00000000000000000000000000000000000000000010000000000000000000000000000000010000000101100100010110001000001111010101101001100011110000100110010110011110110111111111110,ZTSMOCOXPALISY-ZGTCLIOFSA-N
+N3CCC1=C(C=C(S1)NC(C2=CC=C(CC)C=C2)C#N)C3,B342F62648437AFA_FCAD9E0B1A40E252_6041_DP,7.8611765,00000000000000000000000000000000000010000100000100000000000000000000000000000001011100101001000010101100110000010010001011000100110101010110001011010001010110101111010,BYGGGIZKIKDSQX-UHFFFAOYSA-N
+CC1=C(C=NC=C1N[C@@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F)C#C,70B97D5BEE541E5A_810B35C48ADA49A6_6041_UN,7.8603745,00000000000000000100000000000000000000000010000000000000010000000110000000000001000000010001000011100100110100011100001011000100110011110100001011010011100011101111110,QLJTWOIRAZUJDR-SFHVURJKSA-N
+CN(C)[C@@H]1C[C@H](C1)OCC2=COC(=N2)C3=C(F)C=CC=C3,4BF0981B1AEBC4B7_451463000B89ED67_6039_UN,7.860371,00000000000100000000000000000000000000000010000000000000010000100100000000100000000101110100110111000000000101110000110011100111010011100100001110001110110111111111110,ZYQIFDKRXNNSKI-JOCQHMNTSA-N
+CN(C)[C@@H]1C[C@@H](C1)OCC2=COC(=N2)C3=C(F)C=CC=C3,1FBC1548C2911551_2975556AD784F9AC_6039_UN,7.8603525,00000000000100000000000000000000000000000010000000000000010000100100000000100000000101110100110111000000000101110000110011100111010011100100001110001110110111111111110,ZYQIFDKRXNNSKI-BETUJISGSA-N
+CC4(C)OC1=C(C=C(C=C1)NCC3CC2(CCN2)C3)C=C4,9F8DCBC4EB6AC536_0849CBE60A0F88FA_6041_DP,7.859455,00000000100100000000000000000000000000000000000000000000010000000010000000100000001000000011000000111100110000011100001011000000110101010110001011010101110111101111110,TXIMFXNVJFNMTP-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC(=CC(=C2)CBr)F)(=O)=O)F,D24E208D1C3DA0EE_3F1CF870A4ED9E93_6029_UN,7.8590713,00000000000000000000000000000000110000000010001000010001001111001001010001000000011000011000011000001010101100011100011000001111001000101010000111111011110111111111110,PXPMIHRITXPAGK-UHFFFAOYSA-N
+COC1=C(C(=CC=C1)CCN[S](C2=CC(=CC(=C2)CCl)Cl)(=O)=O)F,9CFB65F90C412B89_A85283C246CCBB72_6029_UN,7.8590684,00000000000000000000000000000000110000000010000000010001001111001001010001000000011000011000011000001011101100011100011000001111001000101010000111111011110111111111110,NSRQOXFYTKOVBI-UHFFFAOYSA-N
+O(C1(CC1)C2=CC=C(C=C2)F)C[C@@H]3C[C@](OC)(CN3)C(F)(F)F,4B6F3806B772EB86_459979C68784D98E_6039_DP,7.8588815,00000000000000000000001000000000000000000010000000000000000000100010000000000000001100010011010111001000101101011000100001000011110010100110000100010001110111111111110,QCWPMYRBIHIALD-ZFWWWQNUSA-N
+COC1=C(C=C(C=C1)NCC2=C(C=CC=C2)C3OCCO3)CN(C)C,5575C2B298E79DAF_DD30EA59BFAD3BC2_7022_UN,7.858644,00000000000000000000000000000000000000000000000000000000010000100000000010100000001101100001010011001000000011000101001010110111000011010110011111111111110111111111110,ZTMGIEIBJVMBMR-UHFFFAOYSA-N
+O(C(=O)CNCC1=CC2=C(C=C1)OCCO2)CC3=CC=CC(=C3)N(C)C,D92D3F3EB6BB11C6_8E6B1B0BF3BAFE69_6031_UN,7.8580737,00000000000000000000000000000000000000000000000000000000010000000000000010100000001001100001010100101100010001000100001010110110010011010110101011111101111111111111110,MXOOMLLLXDZDBH-UHFFFAOYSA-N
+O=C2NN=C(CC1=CC=CC=C1)N2CC34CCC(CC3)(C(F)(F)F)C4,9111F26A64FC8427_018B7481056167EF_6034_UN,7.857661,00000000000000000000000000000000000001100010000000001000000000000110010000010101100101000011001111001000011100111100011011101101110000100100001111011011011110100111110,CSWXQLXZZOSBJZ-UHFFFAOYSA-N
+CC(C)(C)[C@H]1C[C@H](CNC1)C=CC2=C[N](N=C2C3=CC=C(C)C=C3)C4=CC=C(C=C4)F,BCCA0E6C13F54C9B_27C728EFB7919C2F_7019_UN,7.8575706,00000000000000000000000000000000000000000010000000001000000000100110000000110000101100110010001010111000000100001000100011101100100001110110011011001111010010101111010,VGBJCVOJLYXHNP-OFNKIYASSA-N
+CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2CCNC3(C2)CCC3,A0B49783B6DB594F_BDCCBF19F8B180A8_6041_DP,7.857296,00000000000100000000000000000100000000000000000000000000000000000010000000100100101000100011011000101000110000011000001001101000111101010110011011011111010110101111010,YQXBJAXTIKSDHI-UHFFFAOYSA-N
+CC1=C(C=NC=C1NCC(OCC)(OCC)C2=NC=CC=C2)C#N,E1F98CF7DF11D811_87FB3BD51597D3DF_6041_UN,7.8564095,00000000000000000000000000000000000000000100000000000000000000000100000000000001101000000001000100101000000011001010000011010110110011010110011011000111110111111111110,UWNBUVOIHJHRQS-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)O[C@H]2CCCSC3=C2C=CC=C3,A97CC4DDEDD847B7_09521E5E7AE89E4A_7022_UN,7.8563156,00000000000000000001100000000010000010000000000000000000000100000000000000100000010000101000010000000100010000001100001000000111000010000100010111011100110001001011110,OHSNTNLEPQKYGZ-SFHVURJKSA-N
+CN(C)CC1=C(C=CC(=C1)NCC2CCCN(CC)C2)F,FD6FF8FA7F760297_97263A4105D3B1A1_6041_UN,7.856149,00000000000000000000000000000000000000000010000000000000000000000000000000110000101001110011010000101000000110010011101001100000110001110110011011011111010110101111010,UKVQVLLHXYDBEG-UHFFFAOYSA-N
+O([C@H]1CCCC2=C1C=C(C=C2)F)C3=C(C#C[Si](C)(C)C)C=CC=C3,9329D9E48784CF5D_4923CA446F76F73F_6035_UN,7.8559294,00000000000000000100100000000010000000000010000000000000000000000000000000100000000000110000010000000100010100001100001000000111100010100000010111011110100001001011110,GKDYGFKBOKOWLQ-NRFANRHFSA-N
+O([C@H]1CCCC2=C1C=C(C=C2)Cl)C3=C(C#C[Si](C)(C)C)C=CC=C3,74BE8C5704403B0A_E0182D84390A1C76_6035_UN,7.8559227,00000000000000000100100000000010000000000000000000000000000000000000000000100000000000110000010000000101010100001100001000000111100010100000010111011110100001001011110,IIRZVJLEVVLYDP-NRFANRHFSA-N
+N1CCCCC1CCOCC4CC2(CC3(C2)OCCO3)CO4,EE25A66E57E03C70_70B0256ACEC355E1_6039_DP,7.8555408,00000000000100000000000000000000000000000000000000000000010000000010000010000000001100100011000011101000110001011000001011010010110010000110100000110001110111110101110,WINOTZXGQFSNTD-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)C[C@H]4[C@H](N(C)C)CCC4,EFEDFF3C98117B22_9FE1BB3E737EF1B6_6034_UN,7.8554153,00000000000000000000000000000000000000000010000000100000000000100100000000111000101101110001010010111100110110010000101011100100110001100110001001011111010110101111010,NAXYPJMLUPJFIR-OXJNMPFZSA-N
+N2C[C@@H](COCC1=CC=CC(=C1)CCCOC)[C@@H](C2)C(F)(F)F,A17F881255387804_39CC51092CF5A885_6039_DP,7.855069,00000000000000000000000000000000000000000010000000000000000000000000000000000000001100100011010011001000001111001001101001000010110010100110000000010011010101111111110,ROABBLCVZKROFY-JKSUJKDBSA-N
+C1(=C(C=CC=C1)OC2=NC=CC(=C2)C#N)NCC34CC(CNC3)(F)C4,4EBB9F968B3CC99D_38D7DAD06F1B7F91_6041_DP,7.85496,00000000000100000000000000000000000000000110000000000100000000000110000000000000101000110010100100101000010100101100010011000111100101110110001111000011110111100111110,KEGPLGLFOJPHNK-UHFFFAOYSA-N
+N3CCC1=C(C=C[N]1CCCC2=C(N(C)C)C=CC=C2)C3,9CD2E44685345258_3D2A870D0BFEFFBB_6034_DP,7.854779,00000000000000000000000000000000000000000000000000000000000000000100000000110000101101100001010010101100110010010000001011100100110001010110001011011111010110101111010,KPPYFAKVVAPWHG-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC=C(C=C1)NCCOC2CCCC2,1ADF0A08C8EE2823_408FAD674C4A9BAE_6041_UN,7.85361,00000000000000000000000000000100000000000000000000000000000000000000000000100100001000100000011110001000100001010000001000101011111011010010011100011101110111101111110,BOAOYDIEHCPSFE-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC=C(C=C1)NC3CCC2(COC2)CC3,3049968D8C8899C8_4CC32355D8926405_6041_UN,7.853162,00000000100100000000000000000100000000000000000000000000010000000010000000100100000000100010011000000000110001011000001000101000111001010110011001011101010011101111110,WGWLAEBGMAWSOA-UHFFFAOYSA-N
+COC1(CN(CCC1)CCC#C)COCC3CC2COCCC2O3,21FEC0A65031F43C_933DF16035FC0424_6039_UN,7.8526206,00000000000000000100000000000000000000000000000000000000010000000010000010010000000101100100010111101100010011011000101011100011110010000110100101111000110101111101110,PTYSKFIYSZEVHV-UHFFFAOYSA-N
+FC1(CC1)C2=CC=C(C=C2)NCC(C3CCCN3)(C)C,EED584DBB41DEDF9_5B42FE59F9A3CEAE_6041_DP,7.8523617,00000000000000000000001000000000000000000010000000000100000000100010000000100000101100010011000010001000100110011001101001000000110101110110001000010101010110101111010,WJMYCUVVCUMBPL-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)N4C3=C(C=C(N(C)C)C=C3)CC4,1A80D90F5A9196E0_3E8583E1FBDBCEA3_6026_UN,7.851068,00000000000000000000000000000000110000000000000001011001001111001001001001110100010101101000011010001110011000011000011101101100001001011100001011011100010010111111110,FJCDDYRLSZHFPE-UHFFFAOYSA-N
+CC2=C(C(=C1C=C(C=CC1=N2)F)NCC4(CC3(CNC3)C4)C5=CC=CC=C5)C,E57347390E4706CC_BCBA62B5AADB6D0C_6041_DP,7.8510327,00000000100100000000000000000000000000000010000000000000000000100110000000000000101000110010000000101100010110001000000011000100100101110110001011000111010110101111010,WROILLLCNPHHDI-UHFFFAOYSA-N
+N(C1=C(C=CC=C1)CN2CCOCC2)[S](C3=CN=CC(=C3C#N)F)(=O)=O,40D13D27318C4C90_76820B7B3D64EDAC_6029_UN,7.8505063,00000000000000000000000000000000110000000110000000010001011111001101010001010000110001111010001101101010001101011000011011101100111011111110001011111011010111110111110,SBQRHRPMMVTKNM-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)OCO2)F)NC(CN3CCNCC3)(C)C,0CADB83D7A684050_1D12E5DD6E5EBC47_7022_DP,7.8499503,00000000000000000000000000001000000000000010000000000000010000000010000010110001001101110001000011101100110111011101001011110000110101110110001011011111110111111111110,IVRTXUXMXQKVDT-UHFFFAOYSA-N
+N3CCC1=C(C=CC(=C1)NCC2=C(N(C)C)C=CC=C2)C3,8355BAF3251CFE2B_9F4BD91DBA9726E0_6041_DP,7.849654,00000000000000000000000000000000000000000000000000000000000000000000000000100000101001100001010000101100110010010000001001100100110101010110001011011111010110101111010,CMWWSKNIOFRWQI-UHFFFAOYSA-N
+C[N]1C=CC(=C1C#N)NCC(N(C)C)C2CCCCC2,4B3FD68BA89A6B85_871879174F0ADE54_6041_UN,7.8495274,00000000000000000000000000000000000000000100000000000000000000000100000000110001101101100001010010001000000010010000101001100000110001010100011010011111010110101111010,CNOMFFPUNKTVBP-UHFFFAOYSA-N
+CN(C)CC1=NC(=CC=C1)NCCC2CCN(C)CC2,C26E9E8778549037_131348FBB588A211_6041_UN,7.849522,00000000000000000000000000000000000000100000000000000000000000000100000000110101001001100001010000101000100000010001101011100000110001010110011001011101010110101111010,ZYKCFEURKOTLTL-UHFFFAOYSA-N
+CN(C)C1=NC(=CC(=O)N1CC2C3(CCNC2)CCC3)CN(C)C4CCNC4,CF6AB565DF814F0A_363A6D17BE43BB09_6034_DP,7.849187,00000000000100000000000001000000000000000000000000000000000000000110000000110101101101100011110011101000111010111101111011100001110101010110011111011111011110101111110,PEDVIAMFARFYHS-UHFFFAOYSA-N
+CC(C)(C)[C@@H]1CCCC[C@H]1OC2=CC(=C(C=C2)CN3CCCC3)Cl,6F508EFD8E408209_A61A4F13361E158A_6035_UN,7.8490424,00000000000000000000000000000000000000000000000000000000000000000010000000110000000101110000000010001001000110011100101001100011110010100110010111011110110101101111110,HPTYTHWEUQSWML-UYAOXDASSA-N
+COCCC4(COCC2=CC1=C(CN(C)C1)C=C2)CC3OC3C4,76B9EA5B09BD3350_70582F226CB765D7_6039_UN,7.8490143,00000000000000001000001000000000000000000000000000000000010000000010000000010000000101100000010010101100010001001001101011100010110010000110000011111100110101111111110,YJQODSNVBGXQEM-UHFFFAOYSA-N
+C1(=C(C=C(C(=C1)F)C#N)F)N[C@H]3[C@H](C2=C(C)[N](N=C2)C)OCC3,EBB33A0DD187531C_E1B621B3FCAB99AF_7022_UN,7.848268,00000000000000000000000000000000000000000110000000001000010000100100000000010000100100010011011111000000100101010000001011101100000011110100001010011111110011101111110,IGJKFLAOECDUEE-ZBFHGGJFSA-N
+O[C@H](CF)C1=CC(=CC=C1)NCC2(CN(C)C)CCOCC2,FF8121F0795C429B_FA0BDBC5BB829A55_6041_UN,7.8476973,00000000000000000000000000000000000000000010000000000000010000000010000000100000101001100011010000101000100011001001001000100000110111110111001001011101110111111111110,DYXHZBUJUJNBJE-MRXNPFEDSA-N
+O[C@H](CCl)C1=CC(=CC=C1)NCC2(CN(C)C)CCOCC2,14416D186FD2E68F_B7A507448C593102_6041_UN,7.8476896,00000000000000000000000000000000000000000000000000000000010000000010000000100000101001100011010000101001100011001001001000100000110111110111001001011101110111111111110,NRKQSTPWQYFRTG-MRXNPFEDSA-N
+CC5(C)CCC1=C(C4=C(N1CCC2=CC3=C(C=C2)CCC3)C(=CC(=C4)F)F)C5,DDF84BF6B138C9BA_2199540C55710BDA_6034_UN,7.847649,00000000000000000000000000000000000000000010000000000000000000000110000000110000000101010000000010001100010100011001101001100100110000100100000011011100010110101111010,CUUHBQDUUOKLTH-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CCNC(C2=CC=CC(=N2)N(C)C)=O)C,8E2578966A78D31B_1CD6989C4E83FA5A_6038_UN,7.84736,00000000000000000000000000000000000000100000000000000000000000000100000000100101001001100000110100101000100000110100011001100111000001010100011111011111111111111111110,DYPGQZWBCPJKBK-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NC34CCNC3CCCC4,A478EA6E1BB6E6FB_D0DA73734CD6C5A0_6041_DP,7.846822,00000000100100000000000000000000000000000000000000000110010000100010000010000001101100100011010010001100110001011000101011000011110111010110001101010001110011111111110,HKWJPVHKWXHSAW-UHFFFAOYSA-N
+O(C1(CC1)C2CC2)CC3=C(C)C=CC4=C3C=CC(=C4)C,C3E446E22135A729_71F570ED794252DA_6039_UN,7.8463006,00000000000000000000001000000000000000000000000000000000000000100010000000000000000000000000000000000100010001001000101000000111110010000000000111010110110101001011110,RTKOWZAYWXLSKN-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3)CC#N,3332378423384C89_D025C6B54621041D_6041_UN,7.845988,00000000000000000000000000000000000000000100000000010001001111001001000001000000010000001001010000000010000010011100000000001111001001011000101111101111100111111111110,BDUMNWROFBOBEF-UHFFFAOYSA-N
+C2(=C1C=CC=CC1=NC(=C2)C#N)NCC(C)(C)C3=CCOCC3,6FC3447DD59B8FE7_89711FA41DA224DC_6041_UN,7.8459253,00000000000000000000000000000000000000000100000000100000010000000110000000101001101000100001000000111100010011001001101011000100110011010110001001010101010111101111110,NMZLDKZAMLIGIZ-UHFFFAOYSA-N
+O(CC2(CC1=CC=C(C=C1)F)CC2)CC3NC(OC3)(C)C,640CAA350A85729C_88AA2C6B974B6870_6039_DP,7.8459053,00000000000000000000001000000000000000000010000000000000010000000010000000100000000100110111100110000000100111111000110011000010110000100110000000010101110111111111110,TYLOXKIYEXLJSJ-UHFFFAOYSA-N
+CC(C)CC1COCCC1OCC2OCCC3=C2C=CC=C3,F5360F08C03EB908_257582F9F32AD58A_6039_UN,7.84589,00000000000000000000000000000000000000000000000000000000010000000000000010100000000000100100000000100100010011000001001010000011110010000110000111110110110101011011110,CUPXQQJVVYNMKZ-UHFFFAOYSA-N
+C1(=C(C=C(C=C1)C#N)C=C)NC3CC(C2=CC=N[N]2C)OCC3,7A3A5EA33A09B988_453567FC85A4813D_6041_UN,7.8454065,00000000000000000000000000000000001000000100000000001000010000100100000000010000100100000010011111110000100011010000001011101100110011010100001011011011110011101111110,DZCUQIJULYDTSS-UHFFFAOYSA-N
+O(C1CCCOC12CCOCC2)CC3=CC=C(CC(C)C)C=C3,4B9FD62E72C0E79B_2A1F79055AC94F8D_6039_UN,7.844778,00000000000000000000000000000000000000000000000000000000010000000010000010100000000000100100000000100000010001001001001010000011110010000110000101110100110101011011110,ILNACXDTAOSSIT-UHFFFAOYSA-N
+COC(OC)C1=CC(=C(C=C1)F)NCC3OCC2(CC(OC)(C2)OC)C3,80D7B41B91D2F05E_5733DE22207BFDB8_6041_UN,7.8445535,00000000000100000000000000000000000000000010000000000000010000000010000000000000001100010011010110001000010101001000100000010011110011110110110110100111110111111111110,GFAGRISEHITVEJ-UHFFFAOYSA-N
+CC2=C1OCC[C@@H](C1=C(C=C2)C)OCCN3CC(C)CC3,F1714C86ACA441FF_803470C3D2A98C04_6039_UN,7.8445,00000000000000000000000000000000000000000000000000000000010000000000000000010000000101100100000110101100010011010101101011100011110010000110010111011100110101111111110,KKRSGJSCMWJQBB-VYIIXAMBSA-N
+C1(=C(C(=C(C=C1)Cl)C#N)F)N[C@H]3[C@H](C2=NC=C[N]2C)OCC3,8D790AD7A0AFB960_EC7F852E1F88DD54_7022_UN,7.8440924,00000000000000000000000000000000000000100110000000000000010000100100000000010101100101010011010111000001100101010000001011100100000011110100001010011011110011101111110,HRJCDXOVQRHRBN-TZMCWYRMSA-N
+CN(C)CC1=C(C=C(C=C1)NC3CC2(CC(C)OC2)C3)F,F32DB95A0EF9DE4B_240C023BC4D0E901_7022_UN,7.8440685,00000000000100000000000000000000000000000010000000000000010000000010000000100000000101110001010010001000110111011001100000100000110011110110011010001111110111101111110,DRFQUKKTBWXSLS-UHFFFAOYSA-N
+COCCNCC(OC1=CC(=CC=C1)C2=CCCNC2)C(F)(F)F,910C63DBBFA53C56_AEC09EF8BB1ED45C_6035_UN,7.8440433,00000000000000000000000000000000000000000010000000100000000000100000000000001000001000100001010100111000101101011101101001000011110110100110001101010001110101111111110,XJHLVGICKVFTMA-UHFFFAOYSA-N
+[NH]1C=C(C2=C1C=CC=C2C#N)NC34CC5CC(F)(C3)CC(C4)(F)C5,0E9427449B96D536_B002C841DFC78B38_6041_DP,7.8439236,00000000000000000000000000000000000000000110000000000110000000000110000000000001100100010001000010000100110100011000000001000100100101110100001001000001000010100111010,OCKZNJAHOVUSQQ-UHFFFAOYSA-N
+ClC1=CC2=C(C(=C1)Cl)[N](C3=C2CNCC3)CC4(CC45CCNCC5)CN,6CD5FDBD6B1EEE79_4FF0F1AA0BB02BA2_6034_DP,7.8433433,00000000000000000000001000000000000000000000000000000000000000000110000000010000101111110011000010101101110100011000001011100100110100100110001011011001010110100111010,SMYCENSAVXLEIX-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C#N)NCC3=C(OC2=CC=CC(=C2)[S](C)(=O)=O)N=CC=C3,16A9598028CC4A69_95E75B1EFA968557_6041_UN,7.8425407,00000000000000000000000000000000000000000100000000010001001111001101000001000000111000001000110001101010000000101100010001001111001001011100001111101011110111111111110,APHUAVKHVWBGBS-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC2C(C(OCC)C2)OC)CCC#N,22FBE02705F2C6A8_634886624B13FEB4_6041_UN,7.8424435,00000000000100000000000000000000000000000110000000000000000000000000000010000000000000010011010101000000100111010010001000000011010011110000001110010111110111111111110,VUFXNHYXVHCUOZ-UHFFFAOYSA-N
+C1(=C(C=NC=C1)C#N)NC[C@@H]2C[C@@H](CN2CC3=CC=N[N]3C)F,C35F44E2E0BF81B6_F5E96256467DE6BC_6041_UN,7.841324,00000000000000000000000000000000000000000110000000001000000000000100000000010001101101110011011010101000000100010000100011101100110001110110001010001011010110101111010,DBVIWAMIGUPSQE-ZFWWWQNUSA-N
+O(C1CN(CC1)CC2=CC3=C(C=C2)CCC3)CCC(C)C(F)F,B90319FADA96ECD1_844B8D1149F37EA1_6039_UN,7.840807,00000000000000000000000000000000000000000010000000000000000000000000000000010000000101100000000111001100010101010001101001100011110010100110000110011000110101101111110,OPNKEAKGEWEWLH-UHFFFAOYSA-N
+O(CC1CCN(C1)C2=CC=CC=C2)CC4COC3(CCOCC3)O4,44B778A81EA4F3D8_57297B71E818C537_6039_UN,7.8407626,00000000000000000000000000000000000000000000000000000000010000100000000010010000000101100100000011101000010001011000001011110010110011010110100001111000110111110111110,MNCSZTDKQDSIJW-UHFFFAOYSA-N
+COCC3(COCC2COC1=C(C=CC=C1)O2)CCNC3,24889C09ED10258E_9C17AA8F454B6A0E_6039_DP,7.8406906,00000000000000000000000000000000000000000000000000000000010000000010000010000000001100100111010011101100110011011101001011000010110010000110100011110001110101111111110,JURISLOSKZETAB-UHFFFAOYSA-N
+CN3CC1=C(C=C(C=C1)COCC2=COC(=N2)C(C)(C)C)C3,FEBE29863DAAFB53_94A66B228B165AAB_6039_UN,7.8404555,00000000000000000000000000000000000000000000000000000000010000000110000000110000000101100100110110001100010001111001010011100110110000000110011010001100010111111111110,JFCATVXFMPZUSL-UHFFFAOYSA-N
+C(C1CCCC=CCC1)=CC2=C(C=C(OC(F)F)C=C2)OC(F)F,E4986C793AE6F15C_CD1A27118DA1F63E_7019_UN,7.840188,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000000100000000010100001100000100001000000011110000100000000110010010100001010011110,CTMRPVIEUKCAKI-UHFFFAOYSA-N
+C(CCN1CCOCCC1)=CC2=C(C=C(C)C=C2)C3=CC=N[N]3C,3896C910A2C9EE68_D31043C1BFA92C91_7019_UN,7.839615,00000000000000000001000000000000000000000000000000001000010000100100000000010000100101100000011111011000000001010000001011101100110010000110001010011110010111101111110,YKPNKOIQCWANOP-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CN2CCOCC2)NCC3(CCOCC)CC3,556035BABD0F89EF_6D3E69CBC66CD63C_6041_UN,7.8394785,00000000000000000000001000000000000000000000000000000000010000000010000000010000001001100011000100101000000011011010101011100010110011010110001001011001010111111111110,MTZTVBTXFFXTAF-UHFFFAOYSA-N
+C[C@@H]4[C@H](OCC2=CC(=C1OCOC1=C2)C3CC3)CCCN4,0ED914B19B580B2A_632E26BCE0D76391_6039_DP,7.839085,00000000000000000000001000001000000000000000000000000000010000100000000010000000001100000011000110101100110011010100101011010011110010000110000111110011110111111111110,OISMKXVJBXQQPG-IAQYHMDHSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NCC4(C)CC3CC3C4,B4F7916CACC37B0C_4AF6C1AB17249101_7022_UN,7.83886,00000000000000000000001000000000000000000010000000000000000000000010000000000000001000010011000010001000010111001001001000000011110011110010000101010001110111101111110,PGBUFXZMABEXBA-UHFFFAOYSA-N
+O(C1(CC1)C2CCOC2)CC3=C(C)C=C(C=C3C)C#N,99982F832892A706_2F2751BB936FD9FD_6039_UN,7.8388553,00000000000000000000001000000000000000000100000000000000010000100010000000000000000100100100000010000000000001001000101000000011110010000110000110010110110101011111110,XVYFQCGUBOPKLB-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C(=CC=C1)NC3CCC2(CCCN2)C3)F,48742F3527EDD017_A9B7481F79583C6F_6041_DP,7.8376145,00000000000000000000000000000000000000000110000000000100000000000010000000100000101100010011000010001000110100011000001001000000110101110100001010010111010010101111010,UOKNTGXPCPMBAG-UHFFFAOYSA-N
+COC3CN(C)C(C)(COCC1=CC(=CC=C1)CN2CCCCC2)C3,2ABCDD1E26516808_639D944B15102755_6039_UN,7.83752,00000000000000000000000000000000000000000000000000000000000000000010000000010000000101100000010111101000000011011001101011100011110010000110011101011110110111111111110,NLTWVPLLVZFONB-UHFFFAOYSA-N
+C1(=C(C=CC=C1)C2(CCCCC2)C#N)NC[C@@H]3NC(OC3)(C)C,50289622F6FC627E_37718E01F76ECAC6_6041_DP,7.83642,00000000000000000000000000000000000000000100000000000010010000100010000000100001001100000011100111001000100011111000111011000000110101010110001011010111110111101111110,GJJLROUTVNVFIC-HNNXBMFYSA-N
+N1CCC4(CC1)CCC2=C(C=CC(=C2)NCCC3=CC=C(N(C)C)C=C3)O4,66A45B84E9A360A9_D272A06330789CE1_6041_DP,7.835959,00000000000000000000000000000000000000000000000000000000010000000010000000100000001001100001010001101100110000011100001011100100110111010110001011011101110111101111110,BUPYHCXPKSIGSO-UHFFFAOYSA-N
+CN(C)CC1CCCCC1OC2=C(C=NC(=C2N)Br)Br,ADAF88C2808AD24C_FF9FDAD31314F757_6035_UN,7.834931,00000000000000000000000000000000000000000000001000000000000000000100000000100001000011110000010101101000000110000101001001100011110011110100001111011111110111101111110,VWMYJBHRQRRACH-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NC3CCC(N2CCNCC2)CC3)F,0386E6633E3AA8A6_88F0FBBCF6E83D5C_7022_DP,7.8348265,00000000000000000000000000000000000000000010000000000000000000100000000000110001001001110011010000101000100100010001001011100000110101110110001011011111010110101111010,YIXPUHOFSHGQEV-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NC(CC)C4CC3=C(C=CC=C3)C4,1BB6150314BDCFB5_EB3FF5674577F128_7022_UN,7.834463,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000010011000010000100110111010010001000000111110011110000000111010001110111101111110,GDKQQMCWFCVMCU-UHFFFAOYSA-N
+C(CCN1CCOCCC1)=CC2=C[N](C3=CC=CC(=C23)C)C,933FDBF7850A10FF_06B39588C8C0F5B7_7019_UN,7.8340445,00000000000000000001000000000000000000000000000000000000010000000100000000010000000101100000010111011100010001010000001011100100110010000110001000011100010111101111110,LEDRZOVKNAEKOW-UHFFFAOYSA-N
+COC1(C(CNCC1)OC2=C(C=CC=C2)CNC3=C(C=CC=C3)Cl)OC,DDE94F33142EEE23_3BE76B7686F2C89F_6035_UN,7.833637,00000000000000000000000000000000000000000000000000000000000000000000000010000000001000110001010101101001100110011100101001010111110111110110001111110111110111111111110,BEXBHFCHVFWAGV-UHFFFAOYSA-N
+CC3(C)CCC(OC2=CC=C1CCCCC1=C2CN(C)C)C(CN)C3,7B23B97086537004_6DB20B9C29A87302_6035_UN,7.8318834,00000000000000000000000000000000000000000000000000000000000000000010000000100000001011100011010001001100010010001101101000100011110010000010011111011111110101101111110,DPMOYDHCZMLTNC-UHFFFAOYSA-N
+COC1(CCNCC1OC2=CC(=CC=C2)OCC3=CC(=CC=C3)C(F)(F)F)OC,1A2D389ABF20C3A4_F17E401DAA714BF0_6035_DP,7.8312206,00000000000000000000000000000000000000000010000000000000000000000000000010000000001000100101010101101000101111011100101001010111110010100110100101110111110101111111110,SCCSDYWNZBEMKB-UHFFFAOYSA-N
+CN(C)CC3(COCC1=COC(=N1)C2=C(F)C=CC=C2)COC3,212F22C55804EE6D_14686437FB6A8786_6039_UN,7.830441,00000000100100000000000000000000000000000010000000000000010000100110000000100000000101110100110111001000000111111001010011100110100000100110001010101110010111111111110,JZJSQAHHKXSBKG-UHFFFAOYSA-N
+CC2=NC=C1C(=C(C=CC1=C2)F)NC[C@H]3C[C@H](CCC3)C#C,F07A599F144988C7_0249913C88BA6B55_6041_UN,7.8295126,00000000000000000100000000000000000000000010000000000000000000000100000000000000101000010011000000101100010100000000001001000100110001110100001011010011010110101111010,RNJLLNNTRKZBRU-LSDHHAIUSA-N
+C1(=CC=C(C=C1)OC=C)NC(COC)CN2CCOCC2,A5F95A7CF05B48CD_7EA85BD2E251ACBD_6041_UN,7.8294425,00000000000000000000000000000000001000000000000000000000010000000000000000010001000001100001010101111000100011010101001011100011110011010110001101111001110111111111110,ZPYXLYCVACLUCV-UHFFFAOYSA-N
+CC1=C(C=CC=C1NC2=C(C(=C(OC)C=C2)OC)OC)[N+]#[C-],CD42197D83BC7771_E637CB394842944D_6041_UN,7.829173,00000000000000000000000000000000000000000100000001000000000000000000000010000000100000000100010101000000000000000100000000000111000001010000011111100111100011111111110,IDTFIXHZECPSDG-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)COC2=CC=C(N(C)C)C=C2)C3,4398404963B7B630_3D757F51CA9BBF20_6035_DP,7.8291225,00000000000000000000000000000000000000000000000000000000000000000000000000100000001101100001010010001100010001000100000001100111110001010110001111001101110111101111110,KGGJHUWVZHXPJW-UHFFFAOYSA-N
+C[C@]45CC[C@H]2[C@@H](CC=C3C[C@@H](OCCC1N(C)CCC1)CC[C@]23C)[C@@H]4CC=C5C6=CN=CC=C6,174494E74868278B_E10DDB717728ED1A_6039_UN,7.829089,00000000000000000000000000100000000000000000000000100000000000100110000000011000000101100000010011111100010011011001101011100011110010000110011101011110110111101111110,ZDFCOMXUDMOCJQ-JWXUTAEJSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CCC4N(C)CCOC4,F7857F81486C5FC1_D113C0E356E5113E_6034_UN,7.8288264,00000000000000000000000000000000000000000000000000000000010000100100000000010000101101100011010110101100110011010001101011100100110010000110001001011011010111101111110,KVEXLORTYSAXCS-UHFFFAOYSA-N
+CN(C)CC(OC2=CC1=C(CCC(C)(C)O1)C=C2)CN3CCNCC3,3F2AC213639C4B49_E965DAE7EDCDE352_6035_UN,7.828747,00000000000000000000000000000000000000000000000000000000010000000010000000110001101001100101010100101100110010011101101011100011110010000110011111011101110101111111110,LSIAJIOKZVDWLE-UHFFFAOYSA-N
+N5CC1=C(C=C(C=C1)NC2=C([N](N=C2C)C3CCCCC3)C)C4(CC4)C5,FDCB4C07D782A37E_4611704461BBBB41_6041_DP,7.827998,00000000000000000000001000000000000000000000000000001000000000100110000000010001101100100011001010101100010010011000001011101100110101010110001011011111010010101111010,RRKRPQKHFUPVHJ-UHFFFAOYSA-N
+NC[C@H](OC1=CC=C(C=C1)C2CNCC2)CN3CCCCC3,1F696C7C7407CF8A_2FC85B979E8DEA63_6035_UN,7.827916,00000000000000000000000000000000000000000000000000000000000000100000000000010000101111100011000110101000100000010100001011100011110110000110001101011001110101100111110,WGXOSRMGNBHWLU-DAFXYXGESA-N
+O(C2C1CCOC1C23CCC3)C4=C(C=C(C(C)(C)C)C=C4)C(C)(C)C,FD1A48780FDA4734_A2FEC1E28AA5D7C0_6035_UN,7.827713,00000000000100000001000000000000000000000000000000000000010000000010000000100000000100000100000010000000010001001100001000000011100010000100010110010110110001011011110,STSMEQFOGIRAMM-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC3=C(C=C2)OCCNC3,3A889E8A6723B343_85D54D22FB172019_6035_UN,7.8275366,00000000000000000001000000000000000000000000000000000000010000000000000000100000001001100000010101001100110011010100101011100011110011000110001111011111110011111111110,YBJBZUSXPPRSAF-NVXWUHKLSA-N
+NC[C@H](OC1=CC(=CC=C1)C2CNCC2)CN3CCCCC3,C83BAD58FAAF3E4A_4008BD1A6CEBCD34_6035_UN,7.8271646,00000000000000000000000000000000000000000000000000000000000000100000000000010000101111100011000110101000100000010100001011100011110110000110001101011001110101100111110,ZQFFIAAQKDGFSW-DAFXYXGESA-N
+CN5CCC1=C(C2=C([NH]1)C=CC(=C2)NCC3OC4=C(CC3)C=C(C=C4)F)C5,2BDBA058006C6BC5_EB9AFCD587E36D98_6041_UN,7.826966,00000000000000000000000000000000000000000010000000000000010000000100000000010000101101110011010110101100110100010101101011100100110111110110001011011001110111101111110,DCWFBRRNQLNYDV-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3=CN=C(N(C)C)C=N3,0E4AC677BDDC0266_0EDBAD42939E7944_6041_UN,7.825044,00000000100100000000000000000000000000100000000000000000010000100110000010100101101001100000010000101000000001011000100011100111000011010110011101001101110111111111110,UQJXZLVVZYCQAK-UHFFFAOYSA-N
+CN(C)CC1CCCCC1OC2=C(C3=C(C=C2)[NH]C(=N3)C)CN4CCOCC4,34DCA4CD6A791EB3_650ECFE526405D08_6035_UN,7.8249197,00000000000000000000000000000000000000100000000000000000010000000100000000110101100101100001010111101100010011010101001011100111110010000110011111011111110111111111110,XYTRPDTWZUSCOT-UHFFFAOYSA-N
+CC1=C(C=CC=C1Cl)NCC2=NC=CN2C[C@H]3NCC4(C3)CC4,0A4C83C12C559798_F0E6043C09E99E05_6034_UN,7.824256,00000000000000000000001000000000000000100000000000000000000000000110000000010101001101010011000010001001110110011000000011100100110101110110001010011011010110101111010,VSQWTWUNMSVTQJ-AWEZNQCLSA-N
+O(C1CC(Br)C1)C3=CC=C(CNCC2N(CC)CCC2)C=C3,08E546C8E289AD48_9EA3567A3F5BBF33_6035_UN,7.824131,00000000000100000000000000000000000000000000001000000000000000000000000000010001001101110011000010001000000110010110101001100011110010100110001100011011110111101111110,PTQDRFJKNAMIHV-UHFFFAOYSA-N
+N2CCC(CCC=CC1=C(N(C)C)C=CC(=C1)F)CC2,5F7B10703DDC7DAD_C0B273045300C0AA_7019_DP,7.8238783,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001110001010000111000100100010000001001100000110001110110001011011111010110101111010,PIIQGDRLJYPUFY-UHFFFAOYSA-N
+N1CCOCC1C2=NC=C(C=N2)NC3=CC(=CC(=C3)F)N(C)C,67593CC7CF09E2CB_215BBE2938B4C10B_6041_DP,7.823487,00000000000000000000000000000000000000100010000000000000010000100100000000100101101001110001010101101000100101010000001011100100110111110110001001011101010011101111110,SQLMOCCYLXKLAW-UHFFFAOYSA-N
+CC3(COCC2CC1(CCNCC1)O2)CN(C3)C4=CC=C(C=C4)F,EE51AEE2DF8032FF_29E85999F498026B_6039_DP,7.8233976,00000000100100000000000000000000000000000010000000000000010000100010000010010000001001110001000001101000110111011001001011100010110011110110001001011001110111111111110,ONYPNXZDDGWDNW-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)C#N)NCC2=CC(=NC=C2)SC(C)(C)C,F10B01B54453C79A_021535A2B1B94835_6041_UN,7.823188,00000000000000000000000000000000000000000100000100000000000100001110000000100000111000001000010001101000000000001100000001000111000001010100011111000111110111101111110,YYDZAAFOKPQBAO-UHFFFAOYSA-N
+C2(=CC1=C(C=C(C=C1)Cl)O2)NCC4=CC3=C(N(C)CCC3)C=C4,10A129334578D2A6_7E690C49EA793C8B_7022_UN,7.8217096,00000000000000000000000000000000000000000000000000000000010000000000000000010000001101110000110010101101010110110001111011100100100001110110001011011001110110101111110,JLXSSPRLZSWOME-UHFFFAOYSA-N
+C2(=CC1=C(C=C(C=C1)F)O2)NCC4=CC3=C(N(C)CCC3)C=C4,40F01D1DC803C583_6DC57D8B580F42EA_7022_UN,7.821697,00000000000000000000000000000000000000000010000000000000010000000000000000010000001101110000110010101100010110110001111011100100100001110110001011011001110110101111110,DDDYQZUQFVSLOR-UHFFFAOYSA-N
+COCC2(COC1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)CCC=C2,C7C029C2B40B1F05_A6D3173F3807E141_6003_UN,7.821512,00000000000000000000000000000000000000000010000000000000000000000010000000000000000000100100010010010000001111001101001000000011110000100010000110110010110101011011110,GEBRVKIAUITTGE-UHFFFAOYSA-N
+CN(CC1CCNCC1)CC2=NN=C(C=C2)NCC3C[Si](C)(CC3)C,F130A672579E7AA2_4C3879FB4E0DEBDA_6041_DP,7.8211455,00000000000000000000100000000010000000100000000000001000000000000100000000100101101101100011011010101000100010011001101011101000110101010110011001011101010110101111010,BJWVQAZUASYALM-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)C#N)OC2=CC=C(C=C2)N[C@@H]3[C@H]4CCN[C@@H]34,8A8D835D68DA2507_E80E25E41942A826_6041_DP,7.8210764,00000000000000000000001000000000000000000110000000000110000000000000000000000001101100010011000010101000110100010100001001000111000101110100001111010011110011100111110,ISUVNBDCKZHHGS-BMGDILEWSA-N
+FC1=C(C=C(C=C1)CC#N)NC2(CC2)C3=C(C=CC=N3)F,F2BCBAF1762A8412_ED9714162F0F7E0C_6041_UN,7.821022,00000000000000000000001000000000000000000110000000000000000000100110000000000001000000010011000000100000100100011000000001000100000001110100001011010011000110100111010,NJLTUWVMYLZWCZ-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)N[C@H]2[C@@H](CCCC2)OC3CCCC3)F,D1F6A172CD098567_18DCB2F4BBD39917_7022_UN,7.820714,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110011010110001000100100010001001000100011110011110000001111011111110111101111110,HEFOTBJFTCQMRU-WOJBJXKFSA-N
+O(C2(CC1=CC=C(C=C1)F)CCOCC2)CC3=C4C(=C(N(C)C)N=C3)C=CC=C4,183FB35F84DF20C0_1F01F777D547E47F_6039_UN,7.8200855,00000000000000000000000000000000000000100010000000000000010000000110000000100100000001110100010001100100010101001000001011100111110011110110001101011100110111111111110,OWEHDJDUTKIXNW-UHFFFAOYSA-N
+N1CCN(CC1)C2=NC=CC(=C2)NC3=CC(=CC(=C3)F)N(C)C,BDDEE57AEFF18F3D_B3B87689027FF346_6041_DP,7.8187585,00000000000000000000000000000000000000100010000000000000000000100100000000110101101001110001010000101000100100010000001011100100110101110110001001011101010010101111010,CGCSXGARJSCSNO-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=NC3=C(C=C2)C=CC(=C3)Cl,B51CB3426A80FC28_93FBCDC989596A4E_6035_UN,7.817786,00000000000000000000000000000000000000000000000000000000000000000100000000100000000001110000110100100101010110110100111001100111110011100100001101011110100011101111110,LPMJZCIZMLAGSY-HZPDHXFCSA-N
+O(C(=O)CC1=C2C(=CC=N1)C=CC=C2)CC[N+](C)(C)C,FFE083BD613D0753_517BE29A15A61648_6031_UN,7.8173695,00000000000000000000000000000010000000000000000001000000000000000100000000100000000001100000010101101100010001011001101001110110110010000110011001011100011111111111110,OMRZJSVHNQXUAC-UHFFFAOYSA-N
+COC1(CCOCC1OCC3=CC(=C(OC2=C(F)C=CC=C2)C=C3)F)OC,01EAD687075CFD59_905E92F0538F055D_6039_UN,7.8171706,00000000000000000000000000000000000000000010000000000000010000000000000010000000000000110100010000100000000111001100101000010111110010100110100111110110110101011011110,JWMSHYPRIUVMHZ-UHFFFAOYSA-N
+COC1=NC(=C(C=C1)[N](=O)=O)NCCOC2=CC(=CC(=C2)OC)OC,2506F8D0DCB9FA45_35C62CFAC5833922_6041_UN,7.816918,00000000000000000000000010000000000000100000000001000000100000010100001100000101001000000100111101101010100001110100011101101111001011010110111111111111110111111111110,VWZJQSIQOSAESX-UHFFFAOYSA-N
+O(C2CCOC1(CCOCC1)C2)CC3=CC=C(SC(C)C)C=C3,C023393AC039498E_9EB8FF2C7960A119_6039_UN,7.8168488,00000000000000000000000000000000000000000000000000000000010100001010000000100000010000101100000000100000010001001000001010000011110010000110000101110100110101011011110,REVWJTBIZWZZJC-UHFFFAOYSA-N
+COC2CC(OCC1=C(OC(F)F)C(=CC=C1)F)C23CCC3,5C176C00D4D98E31_535516AF9609F746_6039_UN,7.8167005,00000000000100000000000000000000000000000010000000000000000000000010000000000000000000010100010000000000011111001100101000000011110010100000000110110010110101011011110,AUMRJQAZDFYPKZ-UHFFFAOYSA-N
+C[N]1N=C(C=C1F)NCC3=CC=C(CN2CCN(C)CC2)C=C3,F2386CC7FA676EEF_9BC641924FD256B8_6041_UN,7.816605,00000000000000000000000000000000000000100010000000001000000000000100000000010101101101110000011010101000000100010001101011101100110001110110001011011111010110101111010,VWDYYGMRUVQWSF-UHFFFAOYSA-N
+CC(C)(OC2=CC=C(CNCC1N(CC)CCC1)C=C2)C(F)F,583FA8C63CAD0F16_EF99DE3B0D659A39_6035_UN,7.8160415,00000000000000000000000000000000000000000010000000000000000000000010000000110001001101100011000010001000000110011110101001100011110000100110011100011111110111101111110,RKVLTIVMTDLSLC-UHFFFAOYSA-N
+C2(=C1C=CN=CC1=C(C=C2)C#N)NCCN3CC(C)(C)OCC3,928A877037A88924_972C9EF70DE9F377_6041_UN,7.815665,00000000000000000000000000000000000000000100000000000000010000000110000000110001001001100001000100101100110011011001101011100100110011010110001001011101110111101111110,PXIPZPNLJQBUHK-UHFFFAOYSA-N
+NC4CCC1=C(C3=C(N1CCCC2CC2(C)C)C=CC(=C3)Cl)C4,87EA50B3B598D738_8DC0D0EE00580614_6034_UN,7.8155,00000000000000000000001000000000000000000000000000000000000000000110000000110000000111010010000010001101110110011001101001100100110001100100001011011111010110101111010,PFKASQLHVBVARQ-UHFFFAOYSA-N
+O(CCC1CCOCC1)CC2=CC(=CC3=C2OC(OC3)C4=CC=CC=C4)F,68E78DE9CE6E90CA_42D67D7BD8D4AC75_6039_UN,7.8146873,00000000000000000000000000000000000000000010000000000000010000100000000000000000000000110100000000100100010101000100001010010110110010100110100011110000110101010011110,FWHNIULUUPXDKB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC(F)(F)F)NC[C@H]3[C@H](C2=NC=C[N]2C)OCCC3,22F874C2C38E8989_2A6ADB01EE97E036_7022_UN,7.8144836,00000000000000000000000000000000000000100010000000000000010000100100000000010101001101000011010111101000001101001100001011100111110011110110001111011011110111111111110,CFEVZMLRMCJTDZ-SWLSCSKDSA-N
+FC1=C(C=CC2=C1CCC2)NCC(N(C)C)C3=CC=CO3,F4985DC5D860210A_8CF096E1FDCE3504_6041_UN,7.8144464,00000000000000000000000000000000000000000010000000000000010000000000000000100001001101110001010111001100010100010000101000100100010001110100001010011111110110101111110,WQFKFBOWQDESER-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCCCCN3CCOCC3,4C5EC6C3A2E6253B_66732D7BB084B1EF_6041_UN,7.8138185,00000000100100000000000000000000000000000000000000000000010000100010000010010000001001100011010100101000100001011000101011100011110011010110001101111001110111111111110,PXCXPHRZCMCXBB-UHFFFAOYSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NC[C@@H]3CN(C[C@H]3OCC)CC4=CC=CC=C4,6BFE33C319DF5B3A_FD2F7F1EC2E5E4C6_6041_UN,7.8126464,00000000000000000000000000000000000000000010000000000000000000000100000000010001101101110011000111101100010111000010000011100111110011110110001111001111110111101111110,VXGKJJUQJQXUSJ-NFBKMPQASA-N
+FC2=C1C=C[NH]C1=CC=C2NCC3(N(C)C)CCSC3,EA15A1384483BA0E_7850795827E58DB1_6041_UN,7.8126097,00000000000000000000000000000000000010000010000000000000000000000110000000100001001101111011010010001100010110011000101011100100110101110110001010011111010110101111010,WHAAHLBYIZXWMJ-UHFFFAOYSA-N
+C1(=CC(=CC=C1)N2CCCCC2)N[C@@H]3COC[C@H]3N(C)C,4EC591F3D66CCFBB_4B58F251E853CB36_6041_UN,7.8113894,00000000000000000000000000000000000000000000000000000000010000100000000000110001100101100011010111101000100011010000101011100000110001010110001001011111010011101111110,OPVOLPHIQUDITH-IAGOWNOFSA-N
+C1(=C(C=CC=C1)CCCC=C)NCCC2COCCC2(OC)OC,2456A29F9F7B2A0D_A52946931C1F3E37_6041_UN,7.8107996,00000000000000000000000000000000001000000000000000000000010000000000000000000000001000100111010000111000100011011000101000010011110011010110000111110111110111111111110,JKPCWJVEPANZMI-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1CCC2=CC3=C(C=C2)COCC3)C(=CC(=C4)F)F)C5,FF2D900DC4CC662F_AA58E4B318B332DD_6034_UN,7.8101487,00000000000000000000000000000000000000000010000000000000010000000110000000110000000101110000000010101100010101011001101011100100110010100110000011011100010111101111110,RTTBVGLLFPNOKL-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C=C([NH]2)NC3CN(C)C4(C3)CCC4,66AD6E5E567F0632_4E8A35FA6A4F0044_6041_UN,7.8098636,00000000000100000000000000000000000000100011000000000000000000000110000000010101100101110001010010001100110110011001101011100100110101110100001000011001010010101111010,VZQMMYQABOVCCH-UHFFFAOYSA-N
+C2(=C1OCCOC1=CC(=C2)C#N)NC[C@@]3(CCCN3)C,DA1BCE9B4743A5C3_BD95AA6D1F7C32B9_6041_DP,7.809029,00000000000000000000000000000000000000000100000000000010010000000010000010000001001100000011000111101100110011011101101011000000110111010110001011010001110111111111110,HTJAKKWNPXXVCX-HNNXBMFYSA-N
+CC3(C)CC1=C(C(=CC(=C1)CC#N)N[C@@H]2CNC[C@H]2C)O3,AF3381DCBDC87A6E_A025D7F201C1B4AB_6041_DP,7.8072395,00000000000000000000000000000000000000000100000000000110010000000010000000100001101100100011000110001100110010011101100011000000110111010110011010000111110111101111110,RMGNHYFUJLBARN-IAQYHMDHSA-N
+CC(C)(C#N)C1=C(C(=CC=C1)NC3CCC2(CCCN2)CC3)F,4A4CEB60703B9963_7B14AB0D19C12BD0_6041_DP,7.8072267,00000000000000000000000000000000000000000110000000000000000000000010000000100000001100010011000010001000110100011000001001000000110101110100001011010111010010101111010,AEHXNXPFFDWSNI-UHFFFAOYSA-N
+CC[N+](C)(C)CC1=C(C=CC=C1)NC3CC2(CCCNC2)C3,7FF044072D826BA9_F3D7F8535CDBB5D0_6041_DP,7.806482,00000000000100000000000000000010000000000000000001000000000000000010000000100000101001100011010000101000110000011011101001100000110101010110011011011111010110101111010,MHCKBCXAMUYFLS-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=C(C=C(C=C2)Br)C3=CC=NO3,EAFA21898D0BA19C_3EB47587A2D4FE8A_6035_UN,7.806169,00000000000000000000000000000000000000000000001000000000010000100100000100100000000101110100011111000010000110010100101011101111110011100100001111011110100011111111110,NWNWQFLGQQNMFW-RHSMWYFYSA-N
+C2(=C1COCCC1=CC=C2)NCCCCN3CCN(C)CC3,F2CAFF1ED2E1E736_F8AF1B0EBCE29053_6041_UN,7.8048444,00000000000000000000000000000000000000000000000000000000010000000000000000010001001001100011010001101100110001010001101011100000110011010110001011011001010111101111110,GNLZJFAECZJANU-UHFFFAOYSA-N
+COCC[C@@H]2[C@H](OCCCC1=CC=CC(=C1)C(F)(F)F)CN2,ABF7AF4C868C5382_5B23920B0660E1D3_6039_DP,7.8048306,00000000100100000000000000000000000000000010000000000000000000000000000000000000001000100011010101001000101101011001101001000011110010100110000100010011110111111111110,VEGGMCWNAPVZBQ-HUUCEWRRSA-N
+CC(C)(C)C4CCC1=C(C3=C(N1C[C@@H]2CNC[C@H]2C)C=CC(=C3)Cl)C4,53195B013F0BBCF8_334D31372C2F0995_6034_UN,7.804543,00000000000000000000000000000000000000000000000000000000000000000110000000110000101101110011000010001101010110011001101011100100110000100110011011011111010110101111010,VSQBSMXJGDRNMX-YSPPHNQVSA-N
+O(C1(CCOCC1)C2CO2)CC4=CC=C(N3CCC(OC)CC3)C=C4,1D0F007CD303F78B_C81D1CAC9DF63855_6039_UN,7.8041134,00000000000000001000001000000000000000000000000000000000010000100010000010010000000001100100010001101000000011011000101011100011110011010110100101111000110111111111110,XNUOUFZLMOWKOE-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC3=C(C=C2)OCCC3,9F18BE4C8423D8E8_B6D8B43283E400B0_6041_UN,7.803985,00000000000000000000100000000010000000000000000000000000010000000000000000100000000000100011010000100100010001001101001000000100100011010110010011011111110111101111110,SMZSRGDCHHSWPN-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)NCC2C3(C2)C4=C(OCC3)C=CC=C4)F,B426A4305C0D3F1F_BB8074B95B5ED891_7022_UN,7.8025537,00000000000000000000001000000000000000000010000000000000010000000010000000100000001001110011010000101100010101001101001000100100110011110110001011011111110111101111110,WAQNCEWQDIQKSV-UHFFFAOYSA-N
+C1(=C(C=CC=C1)CCC#N)NC3(CC2=C(C=CC=C2F)F)CCCC3,32481FD7E3579495_7BFC1D27646B99DF_6041_UN,7.80177,00000000000000000000000000000000000000000110000000000000000000000010000000000000000000010011000010000000100100011000001000000100110001110000001011010011000110100111010,SXLYERGZFHDJJU-UHFFFAOYSA-N
+CN1CCN(CC1)C2CCCC2OCC3=CC=C(C(C)(C)C)O3,ABF22F786E49A89F_726EB17104816EC4_6039_UN,7.8015943,00000000000000000000000000000000000000000000000000000000010000100010000010110001000101100000010110101000000001011001101011100011110011000110011100011110110111111111110,UTHYGULJFDPDSD-UHFFFAOYSA-N
+COC1=C(C=CC(=C1)CN(C)C)OC(=O)CC2=CC3=C(C=C2)OCCC3,A87AE9780888EE70_96E7EF6F11DC7B14_6038_UN,7.8008623,00000000000000000000000000000000000000000000000000000000010000000000000010100000000001100000010000101100010001000101001000110111100010000110110111111110111101111111110,YGYVNPMSJPDCAJ-UHFFFAOYSA-N
+CC(C)(OC[C@@H]2C[C@H]1COC[C@H]1O2)C3CCCN3CC4=CC=CC=C4,5E6A03E686B3D222_E29FFBEC5C1B298E_6039_UN,7.800512,00000000000000000000000000000000000000000000000000000000010000000010000010110000000101100100000110001100010011011000101011100010110010000110000000111110110111111111110,XQAWSMOWGGHSCX-GURQWTFNSA-N
+C1(=C(C=CC=N1)CC#N)NC2=CC=CC3=C2OC(C)(CC3)C,E647AAB6623ECD1D_05EA21167F2EB2E5_6041_UN,7.800336,00000000000000000000000000000000000000100100000000000000010000000110000000100100000000000011000100100100010000011101101011000100000011010100001011010111100111101111110,QPSXOXLODRZBPY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)C(=CN2CC3(CCN)CCNCC3)C4=CCNCC4,001891B21DF89012_07C0ACB556423543_6034_UN,7.800176,00000000000000000000000000000000000000000010000000100000000000100110000000011000001111110001000010111100110100011000001011100100110100100110001001011001010110100111010,WKKTVOHKQIZZRV-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NCC3=CC=C(CN2CCCN(C)CC2)C=C3,8AC5BC4F493CFA41_66B2FCE871C9D286_6041_UN,7.7995625,00000000000000000001100000000010000000000000000000000000000000000100000000110001101001100000010000101000000010011001101011100100110001010110011011011111010110101111010,KABDIKYVVZFNEY-UHFFFAOYSA-N
+CCCCCOC1=NC=C(C=C1)NC2=C(C=C(C=C2)[N](=O)=O)C#N,2B86D97CDAEA8C90_2E92AA92FF5A1CEE_6041_UN,7.7982426,00000000000000000000000010000000000000000100000001000000100000010100001100000001100000000000101000100010000011100111111101101111011011010100001111111011010111111111110,YEVMTTREVMWEJX-UHFFFAOYSA-N
+CC1=C(N(C=N1)CC(C)(N2CCNCC2)C3=CC=C(C=C3)Br)Br,85F9D7A71EE81762_B9D001D99250250F_6034_UN,7.7976623,00000000000000000000000000000000000000000000001000000000000000000110000000010101001101110001000010101000100110011001101011100100110000100110001011011111010110101111010,VNOUXKVHKOMQDK-UHFFFAOYSA-N
+CC1=C(N(C=N1)CC(C)(N2CCNCC2)C3=CC=C(C=C3)Br)I,7AF727AC9FDB5DAD_E71072CEE4907F51_6034_UN,7.7976484,00000000000000000000000000010000000000000000001000000000000000000110000000010101001101110001000010101000100110011001101011100100110000100110001011011111010110101111010,XZYJIYFNRSOYGC-UHFFFAOYSA-N
+O(C1CCCC1OC2=CC(=CC=C2)F)CC3=NO[C@@H]4COC[C@H]34,78913876D7B37AD4_5F84ABC74D827F47_6039_UN,7.797555,00000000000000000000000010000000000000000010000000000000010000000000000110000010000100110100001111000110010101010100001111001011110010100110100100110010110111010111110,YMEWIUFPEQJZPH-LHUBUQBQSA-N
+C1(=CC(=CC=C1)CN2CCCC2)NCC3C(CCCN3C)(C)C,84E17954FE3BA9F1_BC631BDE1BF96F31_6041_UN,7.7967377,00000000000000000000000000000000000000000000000000000000000000000010000000110001001101100001010010101000000010011001101011100000110001010110011001011111010110101111010,HBWDOSRGFJLWIW-UHFFFAOYSA-N
+CC2=C([N]1C=C(C=CC1=C2)C#N)NCC3(OCCNC3)C,D457BFD0E3702CA8_78DD2879463A5A6E_6041_DP,7.7966766,00000000000000000000000000000000000000100100000000000100010000000110000000000100101101100011000110101100110011011001101011100100110111010110001011011111110111101111110,AUNXQTDUQOEYCT-UHFFFAOYSA-N
+CC2=C(N=C1C(=CC=C(C1=C2)C)C)NCC3CCNC34CC4,63520719BC9AC3EC_352CB72907AD0F07_6041_DP,7.7962627,00000000000000000000001000000000000000100000000000000100000000000110000000000100101100000011000010101100110010011000001011000100110101010110011011010111010110101111010,YHFUBIFBISLLMU-UHFFFAOYSA-N
+N1CC4(C1)OC5(COC2=C(C=CC=C2)N3CCCCC3)CC4(N)C5,7A8F1B172B2082D9_E4BC56C4E962D90A_6035_DP,7.7961464,00000000100100000000000000000000000000000000000000000100010000100010000010010000101111100011000111101000110001011100001011100011110111010110001111011011110111110111110,PMXCNXGBZXAMHA-UHFFFAOYSA-N
+C1(=CC(=CN=C1)CC#N)NCC2=CC3=C(C=C2)OC(C)(C)C3,94762822035D5F94_3B1C96FDFF315039_6041_UN,7.79572,00000000000000000000000000000000000000000100000000000000010000000110000000100001001100000001000010101100010000011101000011000100100011010100001011000101110111101111110,DHQJELIBLOFOTH-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)[N](C=C2C3CCNCC3)CCC4(CNC4)CN,1031B0317A9F0153_F93023FE8F1E3736_6034_DP,7.7956214,00000000100100000000000000000000000000000010000000000100000000100110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,JYPURPJABYOFJG-UHFFFAOYSA-N
+CN(C)C4CCN(CC1=CC=C(C=C1)N[C@]23[C@](OC)(CCC2)OCC3)C4,AE583CBA5D16F1D3_E001FFEED664DCED_6041_UN,7.7953434,00000000000000000000000000000000000000000000000000000000010000000010000000110001100101100011010111001100110011011000101011110011110011010110011100011111110111111111110,RYEVQSLFDYZJDU-JUODMZLFSA-N
+C2(=C1C=CC=NC1=C(C=C2)CC#N)NCC(C)(C)C#N,1335EEB62C00E016_A54080035CEC331F_6041_UN,7.795267,00000000000000000000000000000000000000000100000000000000000000000110000000100000101000000000000000101100010000011001000001000100000001010100001001000101010110101111010,UDKAFLZFWVBSLU-UHFFFAOYSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NC[C@H]3OC[C@H](C)CC3,83C30EDF458264D2_6FD72F294F8E0042_6041_UN,7.794916,00000000000000000000000000000000000000000010000000000000010000000100000000000001001000010011000100101100010111000001101011000100110011110110001011010111110111101111110,ULQONDCOQYTREV-RISCZKNCSA-N
+C2(=C1OC=CC1=CC(=C2)F)NCC3=CC(=C(OC)C=C3)CN4CCOCC4,1D9BFF1CA599F119_4AA5DE18BA391ACE_7022_UN,7.7947855,00000000000000000000000000000000000000000010000000000000010000000000000000010000001101110000010111101100010111010100001011100111110011110110001111111011110111111111110,OHWNNZIJMJKCES-UHFFFAOYSA-N
+NC[C@@]2(COC1=CC=C(C=C1)SC(F)(F)F)COC[C@@H]3CCCN23,B9298771DF6C5178_E9E595F486623F7C_6035_UN,7.7944655,00000000000000000000000000000000000000000010000000000000010100001010000000000001011111101111000111101100011101011100001011100011110000100110001101011001110111110111110,MEKNCRADADRPRM-WFASDCNBSA-N
+C1(=C(N=CC=C1)C2(CC2)C#N)NCC3CC(CN3)(C)C,5C855C5BE44240F0_E6788654E99807EC_6041_DP,7.794463,00000000000000000000001000000000000000000100000000000010000000100110000000100001101100000011000010101000100010011001000011000000110101010110001010010111010110101111010,VQBNXUBLFKBTMT-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC=C(C=C2)C3NCCCC3,BC79FB14CE8D4ADF_4219BC33598E724F_6035_UN,7.794362,00000000000000000000000000000000000000000000000000000000000000100000000000100000001001100011010100101000100010010100101001100011110011000100001101011111110011101111110,LOUYRPZTHOPRBM-OMKBGSMGSA-N
+BrC2=C1N(C=C(C1=CC=C2)CC#N)C[C@]3(C)COC[C@@H]4CCCN34,2B436852A71D82C0_7DF99CC7F1C4D9FD_6034_UN,7.7940598,00000000000000000000000000000000000000000100001000000000010000000110000000010001000101110000000111101100010111011001101011100100110000100110001001011000010111101111110,NYEKPAZQKRERKJ-HNAYVOBHSA-N
+ClC2=C1N(C=C(C1=CC=C2)CC#N)C[C@]3(C)COC[C@@H]4CCCN34,CE88470D9657A89D_48B57532C671CD87_6034_UN,7.794056,00000000000000000000000000000000000000000100000000000000010000000110000000010001000101110000000111101101010111011001101011100100110000100110001001011000010111101111110,IJOQREVAJQGWRP-HNAYVOBHSA-N
+COC1=C(C=C(C=C1)CN(C)C)NC(=O)CCC2=CC3=C(C=C2)OCC3,643E61AD9BEBA02F_1EC223488550D6B7_6038_UN,7.793985,00000000000000000000000000000000000000000000000000000000010000000000000000100000000101100011110110001100110001110101011000100111100011010110011111111111111111111111110,SAVLLBDTYWLZAD-UHFFFAOYSA-N
+NCC1(CCC(F)(F)CC1)OCCOC3=C2OCOC2=CC=C3,AE70D1E29D07B352_55751A5740A372A4_6035_UN,7.7938995,00000000000000000000000000001000000000000010000000000000010000000010000010000000001110010111000110001100010101001100001010010011110010100110100111110001110101110111110,MSEBOSAPOZABOU-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC(F)F)NCC2=CC=CC(=N2)N(C)C,4ED7EE67DC5942A3_54AACC05FE47230F_7022_UN,7.793491,00000000000000000000000000000000000000100010000000000000000000000100000000100101001001100000010000101000001100010100000001100111000001110100001101001101110111101111110,ZBELAGKJLGJUCF-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=N1)NC3=C2C=CC=CC2=NC4=C3COCC4,0FBC6A03D41DB584_7CBCBAA4C95C0AFD_6041_UN,7.7931166,00000000000000000000100000000010000000000000000000000000010000000100000000100001100000100011010001100100010001011000001011000100110011010110011011011111010011101111110,HMGUKPCSGKLBLN-UHFFFAOYSA-N
+COC1=C(C=C(C=C1)C2=C(C=CC=N2)OCC4=C3N=CC=CC3=C([N](=O)=O)C=C4)OC,EDDDC542888F2557_EB6145733B6D8733_6039_UN,7.792949,00000000000000000000000010000000000000000000000001000000100000110100001110000000100000000000011101100110010001000100000111101111001001010100101111101110110111111111110,AFKXPIWEVQOMBP-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=CC=C1)NCC2CNCCN2C,D11BF01BF752C7EE_B2856F11F9692611_6041_DP,7.792248,00000000000000000000000000000000000000000100000000000100000000000010000000110001101001100011010000101000100000011001101011100000110101010110011011011111010110101111010,ZPDZFURRGJIZJE-UHFFFAOYSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NCCC2CCNC2)C3,3FF2EE45E762690A_287FE57D6268B6F9_6041_DP,7.792222,00000000000000000000000000000000000000000000000000000000000000000000000000110001101101100011010010001000100010010000101011100000110101010110001000011101010110101111010,GZVCGWVXBNKNHW-UHFFFAOYSA-N
+CC3(C)[C@@H](OCC2CCC1(CCOCC1)CO2)C[C@H]3OC4=CC=CC=C4,E30BD1A205AEC95C_5BBE119DBD31BF90_6039_UN,7.790047,00000000000100000000000000000000000000000000000000000000010000000010000010100000000000100100000000100000010011001100101010000011110010000110100101110110110101011011110,KQPITABAJJTEDD-NRRUETGQSA-N
+CN(CC1=NC=C(N=C1)NC2CC(C)N(CC2)C)C3CNC3,46D8229F373D5A97_F9D628894F8DA282_6041_DP,7.7898493,00000000100100000000000000000000000000100000000000000000000000000100000000010101101001100011010000101000100010010001101011100000110101010110011001011111010110101111010,XGYRVTMFUJJSFY-UHFFFAOYSA-N
+NCC[C@@H]1CCCC[C@@H]1OC2=CC(=CC=C2)CC3CCNCC3,E4B7B1756FBF6432_217776EC8E38BF12_6035_UN,7.7894616,00000000000000000000000000000000000000000000000000000000000000000000000000000000001010100001000000101000100000010100001001000011110110000110001101010011110101100111110,MUELQZBZPCHYTH-ICSRJNTNSA-N
+CN(C)CC1(CNCCC1)OC2=CC=CC3=C2CN(C)CC3,53D120EB00EA0A35_77ACD68D1848FBF4_6035_UN,7.7890286,00000000000000000000000000000000000000000000000000000000000000000010000000110000101001100011010101101100110010011101101011100011110010000110011111011101110101101111110,XJWNWJIQXOSORS-UHFFFAOYSA-N
+C[C]4(C)C[C]3(C[CH](OCC1=C(C)OC(=N1)C2=CC=C(C=C2)F)C3)C4,48E13A06FC44AF83_E9B732F9BD8635AE_6039_UN,7.788638,00000000000100000000000000000000000000000010000000000000010000100110000000100000000100010100100110000000010111111001110011000111110010100100010110000110110111011111110,URAPBFYOXNMZJG-UHFFFAOYSA-N
+CN(C)C1CC(CCC1)OC2=CC(=C(C=C2)N3CCCCC3)Cl,03E48D6BDBF07926_5A646687CA7C8074_6035_UN,7.788452,00000000000000000000000000000000000000000000000000000000000000100000000000110000000001110000010001101001000110010100101001100011110011110110001111011110110011101111110,UKVJXNYHINDOPB-UHFFFAOYSA-N
+CN(C)CCC1=C(C=CC=C1)COCC(C2CCNCC2)F,8B0CE95B6CAEA83D_66E6E7A8D5048B2F_6039_DP,7.788358,00000000000000000000000000000000000000000010000000000000000000000000000000100000001001100001010000101000100101010001101001100010110000100110001011011111010101101111110,BZZPGWFWQSRARQ-UHFFFAOYSA-N
+COC2(C[C@@H]3CC(COCCC1=CN=CC(=C1)F)C[C@H]23)OC,7C2602482CC86290_57F43AF2C65F0DF6_6039_UN,7.7881956,00000000000100000001000000000000000000000010000000000000000000000100000000000000000000110000010010100000010111001000101001010011110010100110000100110100110101011111110,ZQMYQJPIQUWJTH-DSUHRAPHSA-N
+CN(C)CCC3(OC2=CC=C1CCCCC1=C2CN(C)C)CCNCC3,AEB9F9B6891EDE8B_06A44E58B8B75B92_6035_UN,7.788108,00000000000000000000000000000000000000000000000000000000000000000010000000100000001001100001010001101100110000011101101001100011110010000110011111011111110101101111110,MCPRNEUVXHDBHW-UHFFFAOYSA-N
+CN(CC1=NN=C(C=C1)NCC2C[Si](C)(CC2)C)C3CCCNCC3,0F993F8C6D68FCFF_58F8BA86A11F9740_6041_DP,7.78765,00000000000000000001100000000010000000100000000000001000000000000100000000100101101101100011011010101000100010011001101011101000110101010110011000011101010110101111010,VAGKOKHAACNRON-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NC2CCCNCCC2)F,E99B551EBF5E4462_ADD805A7D55A2174_6041_DP,7.786619,00000000000000000000000000000000000000000110000000000000000000000010000000100000001000110011000000001100100100011000001001000000110101110110001010010111010010101111010,XPAKDEWWONRLSS-UHFFFAOYSA-N
+C2(=C1CCCCC1=NC=C2)NCC3=CC=C([Si](C)(C)C)C=C3,80342E92AA9DB2D5_D86F552957BAAC31_6041_UN,7.7865415,00000000000000000000100000000010000000000000000000000000000000000100000000100000101000100011010000101100010000011000001001000100110001010100011011011101010110101111010,PRAUNHKGEDGFHB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCC(OC)C3CCCC3,98C3DE5E927258D2_9BD783BEFBD91EDD_6041_UN,7.7849293,00000000000000000000000000000000000000000000000000000000010000000000000000010000001001100001010110101000000011010000101011100010110011010110001001011001110111111111110,KPKNVQBCQHZTNY-UHFFFAOYSA-N
+CC3(COCC2CCC1(CCNCC1)O2)CN(C3)C4=CC=C(C=C4)F,B382517CD2650507_99EB2EBCD55A3FAC_6039_DP,7.7848244,00000000100100000000000000000000000000000010000000000000010000100010000010010000001101110001000011101000110111011001001011100010110011110110001001011001110111111111110,OCVOBIWKCLNORZ-UHFFFAOYSA-N
+CN(CC1CNC1)CC2=NN=C(C=C2)NC3(C)CC=CC3,D2876FE37789B8F5_251DE2B8430B9DBD_6041_DP,7.784174,00000000100100000000000000000000000000100000000000001000000000000110000000000101101001100010011010111000100010011001000011101000110101010110001000001101010110101111010,NWXUGPCALCKOFQ-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=CC(=CC(=N2)C)C(F)(F)F,553D39514A92BAC2_709A7DAF82751618_6035_UN,7.783487,00000000000000000000000000000000000000000010000000000000000000000110000000100000101101100011110111101000101110111101011011100011110010100110011100011101110111101111110,FMKVLVHKFFBFQA-UHFFFAOYSA-N
+O(C1(CCNCC1)CC=C)C3=C2CCNCC2=N[N]3C,1F9FD44475C6D40D_4D4E9442C7A82732_6035_UN,7.782196,00000000000000000000000000000000001000000000000000001000000000000110000000010001101100100001111111111100110010111100011011101011110110000110001111011011110111101111110,PNWSCFXAUKLEAC-UHFFFAOYSA-N
+CC4CC1=C(C=CC(=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)Cl)O4,2387135CD34F0A32_2F54BD30BE68F4F3_7022_UN,7.7811866,00000000000000000000000000000000000000000000000000000000010000100000000000010001100101110011010010001101110110010101101011100100000011110100001011011111110011101111110,RYULTOLKRVVEPP-BSMQKHLMSA-N
+CC4CC1=C(C=CC(=C1)N[C@@H]2CCN(C)[C@H]2C3=CC=C(C=C3)F)O4,E6056674AD6B3935_36BDF40E9631BA2A_7022_UN,7.7811737,00000000000000000000000000000000000000000010000000000000010000100000000000010001100101110011010010001100110110010101101011100100000011110100001011011111110011101111110,ZRULAJYKSIAMDV-BSMQKHLMSA-N
+CC(OC1=CC(=CC=C1)C2NCCCC2)(CN)CN3CCOCC3,AF745E76B5A4DFFD_25EDA500B2BB1331_6035_UN,7.7790623,00000000000000000000000000000000000000000000000000000000010000100010000000010000101011100011000100101000100011011101001011100011110110000110001101011001110111111111110,TWHRFZQSIFJBIS-UHFFFAOYSA-N
+N3CCC1=C(C=CC=C1NCCCC2=CC=C(N(C)C)C=C2)C3,4ACF92E5DA576DAA_DF89AB338949FC52_6041_DP,7.7785625,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100011010000101100110000010000001001100100110101010110001011011101010110101111010,KLLYMEFMTIWFOV-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=CC(=CC=C1)NC2CCN(CC2)C3CCCC3,8CF3B8D734BF24AD_4F4274FCD9BA377B_6041_UN,7.7783003,00000000000000000000000000000100000000000000000000000000000000100000000000110100100001100010011010101000100000010000001001101000111001010110011001011101010010101111010,WBVABHWCAWOTOS-UHFFFAOYSA-N
+ClC2=C1N=C([N](C1=CC=C2)CC45OC3(CCNCC3)C(C4)(N)C5)CC#N,8D9CD766328FE0C0_052D913FD4A32779_6034_DP,7.777564,00000000000100000000000000000000000000100100000000000000010000000110000000010101101111110011000111101101110100011000001011100100110111100110001011011011110111100111110,DBZVGNOAGJRPRN-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)OCC(OC)C2CCOC2)C(C)(C)C)F,C90426959AF1195F_662C5BF80F769868_6039_UN,7.777487,00000000000000000000000000000000000000000010000000000000010000000010000010100000000100110100010010000000000111001100101000000011110010100110010110110110110101011011110,FCPZIYLNPXUSFX-UHFFFAOYSA-N
+COC(C#N)C1=CC=C(C=C1)NCC2C3(CCNC2)CCOCC3,C2AE1B1FBE728FD8_05CB2984B737149E_6041_DP,7.7765865,00000000000000000000000000000000000000000100000000000100010000000010000000000000101000100011010100101000110001011000001011000010110111010110001001010001110111111111110,BUIGEWZUXCUOPP-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CC2=N[N](C(=C2Br)C)C)C=CC(=C3)Br)C4,C5967157BAE27AC6_AFF4257BD4A95815_6034_UN,7.7759156,00000000000000000000000000000000000000000000001000001000000000000110000000110001100101010000011010001100010110011001101011101100110000100100011011011110010110101111010,FWKXMHARCLFNHP-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)OC2=CC=C(C=C2)C#N)N[C@H]4[C@H]3CCN[C@H]3C4,B2DC30E4754A6DAA_DD4A52B08BC5521C_6041_DP,7.7752876,00000000000100000001000000000000000000000110000000000100000000000000000000000000101100010011000011001000110100010100001001000111110101110100001111010011110011100111110,XNKJKPFSNUHXQD-RYQLBKOJSA-N
+COC(OC)(OC)C1=CC(=CC=C1)NCCC2COCCN2,C4195BEA0869FF8F_0BA76EF3934CD453_6041_DP,7.774508,00000000000000010000000000000000000000000000000000000100010000000000000000000000101000100011010100101000101001011000001011010010110111010110111001110101010111111111110,XDUURHWKTANPOR-UHFFFAOYSA-N
+C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NC2=C(C=CC(=C2)OC)F,C58521E598171A58_1DFB1E35B7E03827_6041_UN,7.774039,00000000000000000000000000000000000000011010000010010001001011000001000001000000000000011010010001000010001101001100100000001111001001111000100111101111110111111111110,ZVVASMPEYBLXTH-UHFFFAOYSA-N
+C2(=C1OCCCOC1=CC(=C2)C#N)N[C@H]3[C@H](CCNC3)C4=CC=C(C=C4)F,1465FE92049C6B27_935F61500DDB8138_6041_DP,7.7733226,00000000000000000001000000000000000000000110000000000010010000100000000010000001001000110111000101101100110101010100001011000100110111110110001011010011110011110111110,ITNIXLFGEMQDFC-IEBWSBKVSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NCC3(CNC3)COCC[Si](C)(C)C,AB58C2DE1BD79E65_209AEF16F43FC0ED_7022_DP,7.7731786,00000000100100000000100000000010000000000000000000000100000000000010000000100000101000110010010001001101010101001001101001000110110111110110011001011101010111101111110,QFDKZRNALYTNKY-UHFFFAOYSA-N
+CC3(C)CCC(OCC2OCC1(CCNCC1)C2)C(C3)C#N,57A05F8F47489C48_502B45FB1C8EF7C5_6039_DP,7.7712555,00000000000000000000000000000000000000000100000000000000010000000010000010100000001100100001000011101000110001011001101011000011110010000110001101010111110101111101110,STOLYXZJEHJPGF-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@@H](CC1)OCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4,9246BDA3856A95BB_3078E8ECA579D3BF_6039_UN,7.770863,00000000000000000000000000001000000010000000000100000000010000100100000010100000010101101000010111000100010011010100101011110111110011000110001110111100110111111111110,JGNCIKQEHKWJRG-HUUCEWRRSA-N
+CC1CCC(CC1)OC2=NC(=NC=C2)N[C@@H]3COC[C@H]3N(C)C,65445EC8811CD334_E4DEC252BE7EE4C8_6041_UN,7.7700024,00000000000000000000000001000000000000000000000000000000010000000100000000100101100101100011110111100000101011110101111011100011110011010110011101011111110011111111110,VYRURUPETMXQFL-NEXFUWMNSA-N
+CC(C)(C#N)C1=C(C=CC=C1)N[C@]23CCC[C@]2(CNC3)F,8F5E81ED71AB2B44_72332B04D7B87E1C_6041_DP,7.7691636,00000000000000000000000000000000000000000110000000000110000000000010000000100001101100110011000010001100110100011000001001000000110101110110001010010111010010101111010,ZJIJWHHYCHZEKD-SJORKVTESA-N
+COCCOCC(OCCC1N(C)CCC1)C(C)(C)C,2261719CF414AF00_E334113800A81226_6039_UN,7.76803,00000000000000000000000000000000000000000000000000000000000000000010000010110000000101100000010011001000000011011001101001100010110010000110010000111110110111111100110,QBCAYCUBSMWZCG-UHFFFAOYSA-N
+COC3(COCC1=C(C=CC(=C1)C2=CC=CC(=C2F)F)F)CCOCC3,729B1396E33261B2_61377ED8A2E7432A_6039_UN,7.7675295,00000000000000000000000000000000000000000010000000000000010000100010000010000000000000110100010000100000000111001000101000000111110010100110000111110010110101011011110,GEYQJURXTSYVBZ-UHFFFAOYSA-N
+CN4CCCN(CC1=C(C=C(C=C1)NCC2(C)C(OCC2)C3CC3)F)CC4,D5D487837FBD1437_65A49D839E527D7D_6041_UN,7.7664275,00000000000000000001001000000000000000000010000000000000010000100010000000010001101101110011010011001000000111011001101011100000110011110110001010011111110111101111110,RRBAITHOWGKKCC-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)NC2CCN(C)C23CCCNC3,2F3AF00934BDC86B_79AA6EB41FD72CB9_6041_DP,7.7659235,00000000000000000000100000000010000000000000000000000100000000000010000000110001101101100011010010101000110010011001101011100000110101010110011011011111010110101111010,IOPJLFAMFWINMC-UHFFFAOYSA-N
+CC(OC2=CC=C1CCCCC1=C2CN(C)C)C3CCNCC3,ED3FA3A96F384EE8_88AD7C6933140B00_6035_UN,7.7646112,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010001101100110010010101101001100011110000000110011111011111110101101111110,XBAJJWSXMJGCFE-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCC3=CC=C(N(C)C)C=C3,8569F785801A9331_170CEC5FE3A7E9CF_6041_UN,7.7645903,00000000000000000000000000000000000000000000000000000000010000000000000000110000001001100000010100101000000001010000001011100100110011010110001001011101010111101111110,QYBSJUXVVHJTRK-UHFFFAOYSA-N
+COC(C#N)C1=CC=C(C=C1)NCC2(COCCNC2)F,0F0FEA7B6310B29A_BA29664EC2680580_6041_DP,7.7642655,00000000000000000001000000000000000000000110000000000100010000000010000000000000101000110011010101001000100101011000001011000010110111110110001000010001110111111111110,RNBVKWVAHNMUEL-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)C(=CN2CCC(CC)(N)CC)C3=CCNCC3,24DDD520C547A73C_EC79674816D38047_6034_UN,7.7642474,00000000000000000000000000000000000000000000000000100000000000100110000000011000101111100011000010111100110010011010101011100100110100000110011001011101010110101111010,VFUYKPBWCTYPMA-UHFFFAOYSA-N
+N3CC1=C(C=C(C=C1)OCC2=CC=C(N(C)C)C=C2)C3,9C2CE09FAB503085_4A4D5519344C0C8E_6039_DP,7.764024,00000000000000000000000000000000000000000000000000000000000000000000000000100000001101100001010010001100010001000100000001100111010001010110001111001101110111101111110,QBNXLZSMSQRLOA-UHFFFAOYSA-N
+O(CC2CCN(CC1=CC=CO1)CC2)CC3NC(OC3)(C)C,56DBF0FAF1BF8D16_0AB6FA255EB67B12_6039_DP,7.7635736,00000000000000000000000000000000000000000000000000000000010000000000000000110000000101100111100110101000100011111000111011100010110010000110001000111101110111111111110,ZXBMRYDYLVACNZ-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)O[C@H]3CCOC4=C3C=C(CC)C=C4,3EF59BA98A1B2D4E_0FF909A52DCD5D9B_7022_UN,7.7625284,00000000000000000000000000000000000000000010000000000000010000000000000000000000000000010100000000100100010101000110001000000111110010100110000111110000110101011011110,JURALJCRBZSVFA-DEOSSOPVSA-N
+O([C@@H]1CCC[C@H]1C2=CC=C(C=C2)F)CC3CNC(CO3)(C)C,431697C1830B6982_23D1752461487C10_6039_DP,7.7622957,00000000000000000000000000000000000000000010000000000000010000100010000010100000001000010011000111101000100101011001101011000011110010100110000101010111110111111111110,APKMGOURJLJNKI-LRUHZDSUSA-N
+N3CCCC1=C(C=C(S1)NCC2=CC=C(C#C[Si](C)(C)C)C=C2)C3,90A5DE13C77F38A4_BB0701ADA324BB87_6041_DP,7.7617764,00000000000000000101100000000010000010000000000100000000000000000000000000100000011100101011010010001100110000011000001011000100110101010110011010011101010110101111010,BGRXJBFLIKMFJS-UHFFFAOYSA-N
+CN(C)CC(OC1=C(N=CC=C1)Cl)CN2CCNCC2,AF5B7AB5003A03B6_EAB96807F4AF611F_6035_UN,7.761707,00000000000000000000000000000000000000000000000000000000000000000100000000110001101001110001010100101001100110010101001011100011110010100110001111011111110111101111110,LLKGAIIPRLGKOY-UHFFFAOYSA-N
+CN(C)CC(OC1=C(N=CC=C1)Br)CN2CCNCC2,2F4DBA69502B9BD0_6004820869E77F4D_6035_UN,7.7617064,00000000000000000000000000000000000000000000001000000000000000000100000000110001101001110001010100101000100110010101001011100011110010100110001111011111110111101111110,XISCLYQEIJAFFW-UHFFFAOYSA-N
+CN(C)CC(OC1=C(N=CC=C1)I)CN2CCNCC2,1C1E53D4B720776F_22FA35B6EA1D3209_6035_UN,7.761702,00000000000000000000000000010000000000000000000000000000000000000100000000110001101001110001010100101000100110010101001011100011110010100110001111011111110111101111110,OAYFKUZIKLVVKY-UHFFFAOYSA-N
+CN(C)CC(OC1=C(N=CC=C1)F)CN2CCNCC2,0020BA046DD7D38A_8A89FEAB5B179ED8_6035_UN,7.7617006,00000000000000000000000000000000000000000010000000000000000000000100000000110001101001110001010100101000100110010101001011100011110010100110001111011111110111101111110,VEFDOTDBMQJHQB-UHFFFAOYSA-N
+CN(CC1=NN=C(C=C1)NCC2N(C)CC(CC2)(C)C)C3CCNC3,C8E685A7D4F78250_A367C9100F2734D7_6041_DP,7.761621,00000000000000000000000000000000000000100000000000001000000000000110000000110101101101100011011010101000100010011001101011101000110101010110011001011111010110101111010,FTXVSEXXFITRPH-UHFFFAOYSA-N
+O(C[C@H]1CCCN1CC(F)F)CC2=CC(=C(C)C=C2)C,5D61DC7AFDAD1EFA_E762D0CA7EE231A3_6039_UN,7.7607408,00000000000000000000000000000000000000000010000000000000000000000000000000010000000101100000000110001000000111010000001001100010110000100110000010011110010111101111110,MMKCPPAEBGEJHR-OAHLLOKOSA-N
+C1(=CC(=NC=C1)CC#N)NCC2=CC(=C(N(C)C)C=C2)F,26F6F350C41B5433_640DD6767B9F6CBD_6041_UN,7.760495,00000000000000000000000000000000000000000110000000000000000000000100000000100000101001110001010000101000000100010000000001100100000001110100001011001111010110101111010,PLSRRYNFXWJMBY-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)OCC(OC)C2CCCOC2)C(C)(C)C)F,CE121407C3C0ADF0_7AC7019A55FA9A0A_6039_UN,7.757876,00000000000000000000000000000000000000000010000000000000010000000010000010100000000000110100010000100000000111001100101000000011110010100110010111110110110101011011110,KYLXFZYUFSOLFD-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)NC[C@@H]2OCCN(C)[C@H]2C3=CC=CC=C3)C=C,4AFF8EABC68829FE_DBFBF9895AE658D1_6041_UN,7.7567725,00000000000000000000000000000000001000000010000000000000010000100000000000010000101001110001010100111000000111010001101011100100110011110110001011011011110111101111110,JAZVDMAOXNBXHF-PMACEKPBSA-N
+O(C1(CCC1)C2=C(C=CC=C2)F)CC3=C(OC)C=CC=C3F,F0E0404CDC853D84_1ACED975B2FB9407_6039_UN,7.7562957,00000000000100000000000000000000000000000010000000000000000000100010000000000000000000010100010000000000000111001100001000000111110010100000000111010010110101011011110,ZXBBWBQQGYJALA-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NC3CCCCC3N(C)C,5A8564F3F6E7C9FD_0B88459085197ABD_7022_UN,7.7558546,00000000000000000000000000000000000000000000001000000000000000000000000000100001000001110011010000000100110110010000101000100100110001110000001011011111000010101111010,AAXHBLBOVLMDTC-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NC3CCCCC3N(C)C,FA0C43345A219161_5B680DA66E921ECB_7022_UN,7.755851,00000000000000000000000000000000000000000000000000000000000000000000000000100001000001110011010000000101110110010000101000100100110001110000001011011111000010101111010,BPPFQLKWXQYVNC-UHFFFAOYSA-N
+C(C1CCNCC1)C3=NC2=C(C=CC=C2)[N]3CCC4(N)CCC(F)(F)CC4,C6A5A75026462DCD_11724ECC0D872033_6034_DP,7.7558255,00000000000000000000000000000000000000100010000000000000000000000110000000010101101111110011000010101100110100011000001011100100110101100110001011011011010110100111010,KGYUKPMDMNMVJH-UHFFFAOYSA-N
+N1CCCC2=C1C=C(C(=C2)NC4=C3C5CCC(C3=CC=C4)O5)F,AB044C66E8F01BB1_DB2C8F4D29C39E4A_6041_DP,7.755446,00000000000000000000000000000000000000000010000000000000010000000000000000000000001100010011000011101100110100010000001011000100100111110100001011010011110011100111110,YTHRAZUXCPMDQX-UHFFFAOYSA-N
+BrC2=C1N(C3=C(C1=CC=C2)CCC3)CCOC4(CN)CCC(F)(F)CC4,697A934AF2775573_B817122E344096F5_6034_UN,7.7552304,00000000000000000000000000000000000000000010001000000000000000000110000000010000001111010011000110001100010101011000001001100111110010100110001111011001110111100111110,GMLPEKXQTSCFJO-UHFFFAOYSA-N
+FC1=C(C(=CC=C1)NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3)CCC#N,531E1F750D639305_4ACC146234A9408D_6041_UN,7.754295,00000000000000000000000000000000000000000110000000010001001111001001000001000000010000011011010000000010000100011100001000001111001001111000001111111011100111111111110,CSOATOOPMFRPTN-UHFFFAOYSA-N
+CN(C)[C@@H]2CCC[C@H](OCCOC1=CC=C(C(F)(F)F)C=C1)C2,3B9D8FE71CF02C79_7386BC3E8331EF00_6039_UN,7.7538366,00000000000000000000000000000000000000000010000000000000000000000000000010100000000001100000010001000000001111011100101000100011110011100010000101011100110111111111110,XMIDHNGGQPKDHM-ZBFHGGJFSA-N
+C1(=CC(=NC=C1)C#N)NCC(C)(C)C2=CC3=C(C=C2)OCO3,0C9C399F7A3DDC84_2C645E2FF0BDDB0C_6041_UN,7.753383,00000000000000000000000000001000000000000100000000000000010000000110000010100001101100000000000010101100010001001101000011010100000001010110001011000101110111111111110,UYWUMIQQIHASSK-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)C=NC(=C2)NCC(N(C)C)C3CCCCC3,9EB840415533409E_F56AEF5D84FF2A67_6041_UN,7.752177,00000000000000000000000000000000000000100000000000000000000000000100000000100101001001100001010000101100010010010100101001100111110001010100011101011101110111101111110,ZILRFJXMKFTJJD-UHFFFAOYSA-N
+FCCOC1=CN=C(C=C1)NC2=C(C=C(C=C2)C3=CC=CS3)[N](=O)=O,957FA0FB08BAB504_765731EA85AE6014_6041_UN,7.7513804,00000000000000000000000010000000000010100010000001000000100000110100001100000101010100001000001111100010000001000100001111101111001011110110001111111011110111110111110,OWHVANIUDKDANH-UHFFFAOYSA-N
+CC2=C(C(=C1C=C(C=CC1=N2)F)NCC4CC3(CCN3)C4)C,5E442C7F73E45B25_4CA3E6172CF85224_6041_DP,7.751315,00000000100100000000000000000000000000000010000000000000000000000110000000000000101000010011000000101100110110011000001011000100110101110110001011010111010110101111010,VFBGAGGEJPNZOE-UHFFFAOYSA-N
+N1CCOCC1C2=NC=C(C=N2)NCCC3=CC=C([Si](C)(C)C)C=C3,561192BCFDB9D2D8_EC8C72ECD4F6DEE7_6041_DP,7.750891,00000000000000000000100000000010000000100000000000000000010000100100000000100101101000100001010101101000100001011000001011000100110111010110011001011101010111101111110,ADZRLYSNGWTSHK-UHFFFAOYSA-N
+C[N]2N=C1CCCC1=C2NCC3N(CCN(C)C3)CC4=CC=CC=C4,E17B9B651B3262DF_4744B254458C7573_6041_UN,7.7506175,00000000000000000000000000000000000000100000000000001000000000000100000000010101101101100011011010101100010010010001101011101100110001010110001011011111010110101111010,BBCOCQPPCFALSX-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)O[C@@H]3CCOC4=C3C=C(CC)C=C4,1F56C580816FA9A8_E80E9619E89DCB49_7022_UN,7.7500916,00000000000000000000000000000000000000000010000000000000010000000000000000000000000000010100000000100100010101000110001000000111110010100110000111110000110101011011110,JURALJCRBZSVFA-XMMPIXPASA-N
+COC2(COC1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)CC2,1FDDE45F777262D9_578ADCEE4974A6EE_6003_UN,7.7496643,00000000000000000000001000000000000000000010000000000000000000000010000010000000000000000000010000000000001101001100100000000011010010100000000110110010110101011011110,BAVIAFJCIZXREH-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2(CCOCC2)C#N)NCC3(CNC3)F,EBB4F3709D773B89_FD992136E6301C9B_6041_DP,7.749025,00000000100100000000000000000000000000000110000000000100010000100010000000000000101000110010000000101000000101001000001011000000110111110110001001010001010111100111110,ZJRBLCRCUQZEOO-UHFFFAOYSA-N
+CCC1=CC(=C(C=C1)CC)NC[C@H]2[C@H](CCNC2)C3=CC=C(C=C3)F,392428FF092BC867_27E8C4EC6CC84520_6041_DP,7.7483296,00000000000000000000000000000000000000000010000000000100000000100000000000000000101000110011000000101000100100010010001001000100110101110110001011010111010110101111010,VIORBZQWMUFQTM-PZJWPPBQSA-N
+CC1=C(C3=C(N1CC2N(C)CCNC2)C=CC=C3)C4CCNCC4,5F9E608D40E50E1C_20285337622BF543_6034_UN,7.748078,00000000000000000000000000000000000000000000000000000000000000100100000000010001101101100011010010101100110010010001101011100100110100000110001011011111010110101111010,QEWWWPBXWSRHDF-UHFFFAOYSA-N
+NCCC1(CCCCC1)OC2=CC3=C(C=C2)NCCNC3,FB07CB5F4F8361F9_5045CF33BC60EDD2_6035_UN,7.7480083,00000000000000000001000000000000000000000000000000000110000000000010000000000001101010100011000001001100110000011100001011000011110110010110001111010001110111100111110,FFNZVAQQXAQXGB-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCOCC2)NC3=CC=CC(=C3)N(C)C,125D1615E5C399B5_46A15428A14C2901_6041_UN,7.7475443,00000000000000000000000000000000000000000000000000000000010000000000000000110000100001100000010100101000000001010000001011100100110011010110001001011101010111101111110,QSQISFPODDWQCQ-UHFFFAOYSA-N
+C2(=C1OCCCOC1=CC(=C2)C#N)N[C@H]3[C@H](CCNC3)C4=CC(=CC=C4)F,16D72BEE40328C98_6AEE354D38E40EFA_6041_DP,7.7468762,00000000000000000001000000000000000000000110000000000010010000100000000010000001001000110111000101101100110101010100001011000100110111110110001011010011110011110111110,BZZRLGWORDUFDH-IEBWSBKVSA-N
+C1(=C(C=C(C=C1)C2CC2)F)NCCC3=CC=C(N(C)C)C=C3,ED17EC7A9086B0FC_FFC8271B06FC6C83_7022_UN,7.746868,00000000000000000000001000000000000000000010000000000000000000100000000000100000001001110000010000001000100100010000001000100100000001110000001011011111010110101111010,MGMWDMMYPXXMSD-UHFFFAOYSA-N
+C1(=C(C=C(C=C1)C2CC2)Cl)NCCC3=CC=C(N(C)C)C=C3,34265060B956CF49_0B08D5164EBFCD3C_7022_UN,7.7468505,00000000000000000000001000000000000000000000000000000000000000100000000000100000001001110000010000001001100100010000001000100100000001110000001011011111010110101111010,WTBLMATZPNLIHH-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC3CCC2=C(C=CC=C2)OC3,91828011E089EAAB_E5C6EF714C422A1B_6041_UN,7.745831,00000000000000000101100000000010000000000000000000000000010000000000000000100000000000100010010100000100110001011100001000000100110001010100010011011101110011101111110,KOXLIQPUQMUDHE-UHFFFAOYSA-N
+NCC(OC1=CC=C(C=C1)C2CNCC2)(C3=C(C=CC=C3)Cl)C(F)(F)F,AFAAC57D758CE420_EA0AA6A8BB51C8CE_6035_UN,7.7444525,00000000000000000000000000000000000000000010000000000000000000100010000000000000001110110011000110001001101100011100001001000111010110100110001111010011110101100111110,FGQUFOHUIZGQAM-UHFFFAOYSA-N
+CC(C)(C)C2=CC1=C(C=CC(=C1)F)N2CCC3CCNCC3,19F7D4A01B0F6352_FEBBEED78B675FE6_6034_UN,7.7425265,00000000000000000000000000000000000000000010000000000000000000000110000000110000001101110001000010101100110110011000001011100100110000100110011011011111010110101111010,UQLPVONVNBNSMV-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)NCC(C(CC)CC)N3CCCC3,1D3A0D6C882C2743_F56EF3E85C9705A5_7022_UN,7.7422113,00000000000000000000000000000000000000000010000000000000000000000000000000010001001101110001000010001000000111010010101001100011110011110110001101011101110111101111110,GHBOJGIQRFNMSO-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NC3=C2C=NC=CC2=C([S](C)(=O)=O)C=C3)N=[N]#N,E14DC591943F0B1A_37701A88ED038445_6041_UN,7.742064,00000000000000000000000000000000000000000000000001011001001111001101001001000101110000001000011001100110010000001100000101001111001001011100001111101111100011111111110,KBDQHNPRDNONGD-UHFFFAOYSA-N
+CN(C)CC1CCCCC1OCC2=CC=CC3=C2CCNC3,BDE929AAEDBFC64B_19F4B9447E67AEDA_6039_DP,7.7416735,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010001101100110011010001001001100011110010000110001111011111110101101111110,MXBMDXJOZHDDOE-UHFFFAOYSA-N
+O(C(CC#N)(C1=CC=CO1)C(F)(F)F)CCOC2CCCC2,FC37939E84723ABA_22C15EB12CFFFE0E_6039_UN,7.7416024,00000000000000000000000000000000000000000110000000000000010000000010000010000000000100000000000011000000001101011000001000000011110010100110000100110000110101010110110,VCZLCOKKTXWDCO-UHFFFAOYSA-N
+CC(OCC2=NC1(CC1)CO2)(CC3=CC=NC=C3)C4(C)CC4,B5907CB72F85E85A_10ADE092FBA0E2BF_6039_UN,7.7412925,00000000000000000000001000000000000000000000000000000000010000000110000010000010000100000000100110100000010011111001111111000010110010000110001000010100110111111111110,XPAQEGZKUYRQBS-UHFFFAOYSA-N
+CN(C)CC1(CNCC1)OC2=CC(=CN=C2)C(F)(F)F,DD0AF80C583CC9B6_7EB03FE79EA83A0C_6035_UN,7.7396255,00000000000000000000000000000000000000000010000000000000000000000110000000100000101101100011010111101000101110011101001011100011110010100110001100011101110101101111110,QFJMZXIPUVAJLF-UHFFFAOYSA-N
+COCC1=C(C=CC(=C1)OC2(CCC(C)(C)CC2)C)Cl,7D3C00626EEE417C_4D1B7C092DFF8F5F_7022_UN,7.737301,00000000000000000000000000000000000000000000000000000000000000000010000000100000000000110000010000000001000101001101101000000011110010100000010111010110110101011011110,QIXDZPDHOLYAEP-UHFFFAOYSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NC[C@H]3[C@H]2CCCCN2CCC3)F,5D85C3215609E78C_EFF4DE7BB84B4C64_6041_UN,7.7372575,00000000000000000000000000000000000000000110000000000000000000000010000000100000101001110011000000101100010100011000001001100000110001110110001011011111010110101111010,QXAWLYMNNKCJIQ-HNAYVOBHSA-N
+N2CCC(OC1=C(C=CC=C1)CC#N)CC2C3=CC=C(C=C3)F,F55A566731EC36B0_E0925EF30A402F60_6035_DP,7.7361803,00000000000000000000000000000000000000000110000000000000000000100000000000000000001000010001000001101000100100010100001001000111110010100100001111010011110111100111110,NEGLJPVTUMVIGJ-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=C(C=CC=C2)NC3CCOCC3,EB76F69DBCD456C0_1907727B267EE1FB_6035_UN,7.7351503,00000000000000000000000000000000000000000000000000000000010000000000000000100000000001100010010101100000100011010100101000100011110011010110001111011111110011111111110,BPWSSXNQDWUGJE-IEBWSBKVSA-N
+C[C@@]2(COCC1=C(OC(F)F)C=CC=C1)COC[C@@H]3CCCN23,A6311AFD81B6F4E5_453F26164B8C7AB7_6039_UN,7.734927,00000000000000000000000000000000000000000010000000000000010000000010000000000000000101100100000110101100011111011101101011100011110000100110000111111010110111111111110,SFUYYHKRUOLOLX-WMLDXEAASA-N
+CN(C)CC(OC1=CC(=CC(=C1)Cl)Cl)CN2CCNCC2,5059BC430FA4EDC6_08AB5EF644EEB410_6035_UN,7.7338495,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001101011101110101101111110,GCYLKVHMWOEUFT-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)Br)Br)CN2CCNCC2,604AC8248DF53119_B0947CBA39E980B4_6035_UN,7.73384,00000000000000000000000000000000000000000000001000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001101011101110101101111110,OWTYBIIPAMPAFP-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)F)Cl)CN2CCNCC2,31E1AC44A4A6E524_9029F624CAD768CC_6035_UN,7.733835,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001101011101110101101111110,CYAXRUIPUMLPGJ-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)F)I)CN2CCNCC2,B0A12716C5F095DD_76C0269D36EDADFD_6035_UN,7.7338347,00000000000000000000000000010000000000000010000000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001101011101110101101111110,KHHCBKKEGLLXFI-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)Cl)Br)CN2CCNCC2,76D862BC0C71E303_544E87C11F828A1A_6035_UN,7.733832,00000000000000000000000000000000000000000000001000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001101011101110101101111110,ZVMIKPKBQKFAGR-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)F)F)CN2CCNCC2,0405D303683D7ECB_E57B31EF3171F503_6035_UN,7.733831,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001101011101110101101111110,UEXONTWDTZTLTO-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)I)I)CN2CCNCC2,4B569399DA8A912E_181E71D5BD85F445_6035_UN,7.733828,00000000000000000000000000010000000000000000000000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001101011101110101101111110,LKMPIUSZRXQRKP-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=CC(=C1)F)Br)CN2CCNCC2,4FCDB2CC918930FE_C6C78CBDD75D336B_6035_UN,7.7338276,00000000000000000000000000000000000000000010001000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001101011101110101101111110,XXJFLLOAFSIPSE-UHFFFAOYSA-N
+CCC4CCC1=C(C3=C(N1CC2(CCCC2)C#N)C=CC(=C3)C)C4,2F460D3CD627736F_79C1010C27266423_6034_UN,7.73352,00000000000000000000000000000000000000000100000000000000000000000110000000010000100101000000000010001100010010011010101001100100110000000100001011011100010110101111010,LRPGHGPJZFWJKG-UHFFFAOYSA-N
+C1(=NN=CC(=C1)C#N)NC(C)(C)CC2=CC=C(C=C2)C#N,55D32CCA1BD8B447_C8468D30989D8995_6041_UN,7.7332973,00000000000000000000000000000000000000100100000000001000000000000110000000100101100000000000001000100000100000011001000011001100000001010100001001000101000110101111010,AEXOXRSDOLWADQ-UHFFFAOYSA-N
+C1(=C(C=CN=C1)CC#N)NCCC2=CC=C([Si](C)(C)C)C=C2,E06FEA74CBBA6F0C_47C80D5A183B938B_6041_UN,7.7326317,00000000000000000000100000000010000000000100000000000000000000000100000000100001001000100010010000101000100000011000001001000100100001010100011011011111010110101111010,MGAYSABRLWDYGE-UHFFFAOYSA-N
+CN(C)CC(OC1=C(C=CC=C1)OC(F)F)CN2CCNCC2,BD91419A5841DA79_8BD4FC2AEDC37389_6035_UN,7.732248,00000000000000000000000000000000000000000010000000000000000000000000000010110001101001100001010100101000101110010101001011100011110010100110001111011111110101111111110,PWTMXLNRQHRWRB-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CCCC2(C)CCCN2)C(=CC(=C3)F)F)C4,57B654B45BC7D6E1_2F3EECA29882397F_6034_UN,7.731492,00000000000000000000000000000000000000000010000000000000000000000110000000110000001101010011000010001100110110011001101011100100110000100110011011011101010110101111010,YEJGYFUVXFERDN-UHFFFAOYSA-N
+CC3(C)CC1=C(C(=CC(=C1)CC#N)N[C@@H]2CNC[C@@H]2C)O3,99E568A6C93C1621_5CC7E6D63497219D_6041_DP,7.729886,00000000000000000000000000000000000000000100000000000110010000000010000000100001101100100011000110001100110010011101100011000000110111010110011010000111110111101111110,RMGNHYFUJLBARN-XHDPSFHLSA-N
+C1(=C(N=CC=C1)OC2CCC2)N[C@@H]3[C@@H](N(C)C)CCC3,A302341FDD65935C_EDC2F5762F0D473C_6041_UN,7.72854,00000000000100000000000000000000000000000000000000000000000000000100000000100001000001100011110110100000100010110100111001100011010011010100001110011111100011101111110,UPSKDWYPCJCNSS-ZFWWWQNUSA-N
+FC1=C(C=CC2=C1CCC2)NC[C@@H]3OCCN(CC)[C@H]3C4=CC=N[N]4C,749C5CA4708147C3_59BC974B620A6FB0_6041_UN,7.728147,00000000000000000000000000000000000000000010000000001000010000100100000000010001101101110001011111101100010111010010101011101100110011110110001011011111110111101111110,YQAGIKXAOOFZAA-ICSRJNTNSA-N
+O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=CC4=C3CCC(C)(C)O4,98B4259A181AF7E4_F2BFCAF99C082614_6035_UN,7.7274942,00000000000000000001000000000000000000000010000000000000010000000010000000100000000000010100000000100100010101001101101010000111000010100100000111110100110001011011110,AMDVIVTVVXHKMH-SFHVURJKSA-N
+CC2=C1N=CC=C(C1=C(C=C2)N[CH]4C[C]3(C[CH](N(C)C)C3)C4)F,95221DD4508279D5_755E8166E87A1BB8_6041_UN,7.726679,00000000000100000000000000000000000000000010000000000000000000000110000000100000100001110001010000100100110100011000100001100100100001110100011001001101000010101111010,UGUITLYMXFIMKI-UHFFFAOYSA-N
+COC1(CCOCC1OCC2=CC(=CC=C2)CN3CCOCC3)OC,9BF44D22AAA206E8_32587E56B581B866_6039_UN,7.7265453,00000000000000000000000000000000000000000000000000000000010000000000000010010000000001100100010100101000000011011000101011110011110010000110100101111110110101111111110,OVGPSXUVVLQCDW-UHFFFAOYSA-N
+CC3(COCC1OCCC12CCNCC2)CCN3CC4=CC=CC=C4,CCB0BD9F3741DBA9_E30D2597428DF694_6039_DP,7.7250423,00000000100100000000000000000000000000000000000000000000010000000010000010010000001101100001000110101000110011011001101011100010110010000110001001011011110111111111110,NGFHUDZECNGWQL-UHFFFAOYSA-N
+FC1(F)CC13CCC(C=CC2=C([N](CCOC)C(=C2)C)C)C3,BC4FDC219D4D4F49_A10F8C78D938EC90_7019_UN,7.724102,00000000000000000000001000000000000000000010000000000000000000000110000000010000000101110000010110011000010111011001101001100010110010100110010010011110010111101110110,KSFQRDWKZXGMBG-UHFFFAOYSA-N
+C2(=CC1=C(C(=CC=C1)F)O2)NC[C@@H]3OCCN(C)[C@H]3C4=C[N](N=C4)C,C2179DD788890B7E_8BB70CC43E358E8D_7022_UN,7.723788,00000000000000000000000000000000000000000010000000001000010000100100000000010000101101110001111110101100010111110001111011101100110011110110001001011111110111111111110,GZHVRFRIFYHJHI-RDJZCZTQSA-N
+CC5(C)CCC1=C(C4=C(N1CC3CCCN(CC2=C(C=CC(=C2)F)F)C3)C=CC(=C4)Br)C5,D1E29E661055BC62_A8091EC4DE4A89AE_6034_UN,7.7225738,00000000000000000000000000000000000000000010001000000000000000000110000000110000100101110000000010101100010100011001101011100100110000100110001011011110010110101111010,QZDLNPYJRCLPCM-UHFFFAOYSA-N
+CC(OC2=C1CCCNC1=CC=N2)C3=C(C=CC=C3F)N(C)C,A8BFD01142FE88D9_7D2CAB95CC53D31F_6035_UN,7.721438,00000000000000000000000000000000000000000010000000000000000000000100000000100000101001110011110001101100110100110100011011100111100001110100011111011111110011101111110,IKWYHAIRHKAQJR-UHFFFAOYSA-N
+FC1(CCOCC1)C2=CC=C(C=C2)NCC3=CN=C[N]3C,18609CDAA10C5F66_CE1659EFC6C8525C_6041_UN,7.721007,00000000000000000000000000000000000000000010000000000000010000100110000000010101101101110000010010101000000101011000101011100100110011110110001011011011010111101111110,JQUOVKIWNZCKMS-UHFFFAOYSA-N
+O(C3CCN(CC1CCCC2=C1C=CC=C2)CC3)CC4=CC(=NO4)C(C)C,CB3CB0EDE2C1386D_CE28F6010FF8A490_6039_UN,7.7208643,00000000000000000000000000000000000000000000000000000000010000000100000110110000000101100000001011101110010001010000001011101111110010000110001111011100110111111111110,HWHRAVCHJFHCMC-UHFFFAOYSA-N
+O(CC2CCOC1(CCOCC1)C2)CCC3=CC=CC(=C3)OC(F)(F)F,B44AC66410E711D4_CD378C8E295F3859_6039_UN,7.7189116,00000000000000000000000000000000000000000010000000000000010000000010000000000000000000100100000000100000011101001100001010000011110010100110100101110000110101010011110,APCZWDMDWPFRFS-UHFFFAOYSA-N
+N1CCC(CC1)OCC2=CC(=CC=C2)NCCC[N+](C)(C)C,4DEED9AECE9C411B_52930EAAC31FFE52_6041_DP,7.717966,00000000000000000000000000000010000000000000000001000000000000000000000000100000101001100011010001101000100011011001101001100011110111010110011101011101110111101111110,MRWWBJQFKSGORE-UHFFFAOYSA-N
+C[N+](C)(C)CC=CC1=CC(=C(O)C=C1)CN2CCOCC2,B7F2605B8C494EF7_6FAD526E6350D5FA_7019_UN,7.7174244,00000000000000000000000000000010000000000000000001000000010000000000000000110000000001100010010101111000000001011101001011100001110010000111011111011110110101111111110,PWQNACVEPAZSKZ-UHFFFAOYSA-O
+C[Si](C)(C)C1=C(C=CC=C1)NC2=CC=CC3=C2OCCC3OC,AF15839F091D0FBB_41FD7F5300801149_6041_UN,7.7173433,00000000000000000000100000000010000000000000000000000000010000000000000000100000000000100101010100100100010011001100101000000111000011010100010111011111110011111111110,UOEKIEAVGMBWJD-UHFFFAOYSA-N
+N4CC[C@@H](CCOCC3CC1(CC2(C1)OCCO2)CO3)[C@H](C4)C=C,9A6B58B4E20909E9_66A509ADB411881A_6039_DP,7.7170715,00000000000100000000000000000000001000000000000000000000010000000010000010000000001100100001000010111000110001011000001011010010110010000110100000110011110101110101110,MCBWUFBIFXMRHM-PYNWJHIZSA-N
+NCCCC1=CN(C2=C1C=C(C=C2)F)CC3(COC)CCOCC3,C32114D3F0C158D3_784BCB1823D00237_6034_UN,7.716413,00000000000000000000000000000000000000000010000000000000010000000110000000010000001111110010010011101100110111011001001011100110110010100110001001011001010111111111110,WBLRWSKHRNLFOY-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)C(C)(C)C#N)NCC2CNC3CC23,52C87B1111FB3511_AB9DD8C3A06B9DEF_6041_DP,7.7154574,00000000000000000000001000000000000000000100000000000100000000000010000000100000101100000011000010101000110010011000000001000000110101010110011011000111010110101111010,FKIAYINTQQAYOI-UHFFFAOYSA-N
+FC2=C1N(C=CC1=CC(=C2)Cl)C[C@H]3[C@H](N(C)C)CCC3,8AE27EBB9DE1FC3C_B380C4711D0E97E8_6034_UN,7.714543,00000000000000000000000000000000000000000010000000000000000000000100000000110000100101110000010010001101010110010000101001100100110001100100001000011110010110101111010,HOZUCXVXCOBEOW-SWLSCSKDSA-N
+NC3(CCOCC1=CSC(=N1)C2=CC=C(CC)C=C2)CCC(F)(F)CC3,256BFD0D02D6EDAE_B6A1F33215FC27B1_6039_DP,7.713762,00000000000000000000000000000000000010000010000100000000000000100110000000000000010110111010000111000000100101011010001011000110110011100110001001010001010111101111110,VDMISDVDYRVWBW-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)Br)Cl)CN2CCNCC2,7187733949112390_81CF1A979AD358F4_6035_UN,7.713481,00000000000000000000000000000000000000000000001000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,UZAUDXQUZSEPJW-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)Cl)Cl)CN2CCNCC2,947781627FDB0CC1_F929219A3F2D697C_6035_UN,7.713478,00000000000000000000000000000000000000000000000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,SJEIPOVTHBNZSB-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)Br)F)CN2CCNCC2,764FDB1D48C9A6A9_854CA5A4FCC17A07_6035_UN,7.7134776,00000000000000000000000000000000000000000010001000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001111011111110101101111110,MXLGDGBPSDNWMH-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)Cl)Br)CN2CCNCC2,7633DCBDA6D84EB2_66DF4938B2DCAF68_6035_UN,7.7134767,00000000000000000000000000000000000000000000001000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,JEXMEUURQGQSSP-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)F)F)CN2CCNCC2,5321BF64E160FA09_105F16C498C8C383_6035_UN,7.7134757,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001111011111110101101111110,NUJPMFKQUUQPGH-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)I)Br)CN2CCNCC2,0BEA318403DBF56C_85657512A9615265_6035_UN,7.713473,00000000000000000000000000010000000000000000001000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001111011111110101101111110,WWOPAWKDTFMVSI-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)F)Br)CN2CCNCC2,4953A0F1F26DD405_A10559DD6AA691D2_6035_UN,7.713468,00000000000000000000000000000000000000000010001000000000000000000000000000110001101001110001010100101000100110010101001011100011110010100110001111011111110101101111110,QWLOSQYXNKGMPQ-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)F)Cl)CN2CCNCC2,F9037EECFB29107F_5254D4E1E2711FFD_6035_UN,7.7134666,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,NXPKZTXXHDUSNZ-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)Cl)F)CN2CCNCC2,C72A5C517D70B472_0A7DABF1175C935F_6035_UN,7.7134657,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,WEACMDSOQSGQBS-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C=C1)I)Cl)CN2CCNCC2,AE2E30390B68CA9E_7CA401E27174F3C6_6035_UN,7.713464,00000000000000000000000000010000000000000000000000000000000000000000000000110001101001110001010100101001100110010101001011100011110010100110001111011111110101101111110,CRSOUXBDKYMAFB-UHFFFAOYSA-N
+CN(C)CC1=C(C=C(C=C1)N[C@H]3[C@H]2CCCO[C@H]2C3)F,D2513027A77D8958_B8AEE6E679D1DA16_7022_UN,7.712777,00000000000100000000000000000000000000000010000000000000010000000000000000100000000001110011010001101100110101010001001000100000110011110110001011011111110111101111110,OEBJDIOVTUALFD-BMFZPTHFSA-N
+COC1(CCOCC1COC2=CC=C(C3=C2CN(C)CC3)F)OC,56B4EFA06719FF4B_C0E55FA4ACD2A1C7_6035_UN,7.7113442,00000000000000000000000000000000000000000010000000000000010000000000000000010000000001110100010001101100010111011101101011110011110010100110110111111110110101111111110,DVGCQUUVQPCHEE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)CCOC2)NC3=CN=C([Si](C)(C)C)C=C3,7493237469467AB7_A6A9B54D8A0ACC9E_6041_UN,7.711223,00000000000000000000100000000010000000000000000000000000010000000100000000100001000000100001010000100100010001001000001011000100110011010110011011011101010011101111110,PVIXZHXUDCINDF-UHFFFAOYSA-N
+CN5CCC1=C(C4=C(N1CC2=C(C=CC=C2)CC3CCNCC3)C=CC(=C4)Cl)C5,8100424749156A58_A0715D04FB39C6A3_6034_UN,7.710752,00000000000000000000000000000000000000000000000000000000000000000100000000010000101101110001010010101101110100010001101011100100110000100110001011011011010110101111010,MTZFACUXYHBZLE-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)COC2)NC3=CC=CC(=C3)CN(C)C,652C0A370172C9A9_0B3AF59C1FB0253D_6041_UN,7.709481,00000000000000000000000000000000000000000000000000000000010000000000000000100000000101100001010010001100010001000001000000100100010001010110001011001101010111101111110,SSIFRQKSWBYEJR-UHFFFAOYSA-N
+NCC3(CCOC1=CC=CC2=C1CCNC2)CCOCC3,888369AF9BC2A278_1B5ADBB4AFA80DFB_6035_DP,7.7093897,00000000000000000000000000000000000000000000000000000000010000000010000000000000001010100011000000101100110001011100001011000011110110000110001111010001110101110111110,LAUZMFPZFDUGOY-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NC3CC2(CC(C)OC2)C3)F,B1F60B71F5EDB873_B188233499A88B28_6041_UN,7.7093134,00000000000100000000000000000000000000000010000000000000010000000010000000100000000101110001010010001000110111011001100000100000110011110110011010001111110111101111110,SUOHVLLGOBMDPT-UHFFFAOYSA-N
+CN(C)C(C)(C)COC1=CC(=C(C=C1)N2CCCCC2)Cl,E19A3BD2DF0566AA_86BA2839AFE9322F_6035_UN,7.7084217,00000000000000000000000000000000000000000000000000000000000000100010000000110000000001110000010100101001000101011101101001100011110001110110011111011110110111101111110,DRLCAXQQKQBSIE-UHFFFAOYSA-N
+C2(=C(C=C1OCOC1=C2)CC#N)NC4(CC3=CC(=CC=C3)F)CCOCC4,E5691C7E9AA64D1F_00A4F69DDC8319B5_6041_UN,7.708338,00000000000000000000000000001000000000000110000000000000010000000010000010000000000100110010000011100100110101011100001010010100110011110110001011110011110111110111110,KEERZAYZXZOUHA-UHFFFAOYSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NC2COCCC2)C3,912B25A9AFE471D2_A5E03528C2214996_6041_UN,7.707826,00000000000000000000000000000000000000000000000000000000010000000000000000110001100101100011010110101000100011010000101011100000110011010110001001011101010111101111110,ZTMTVJPTEYXVJQ-UHFFFAOYSA-N
+CN(C)C1=C(C=C(C=C1)C#N)NCC2CC3(CN2)CC3,33F2EE7E193269FB_354EF682667AE986_6041_DP,7.7073655,00000000000000000000001000000000000000000100000000000010000000000010000000100001001101100011010010001000110000011000000001100000110101010110001010011111010110101111010,IKLYKNDKDYTTOI-UHFFFAOYSA-N
+CC1CCCN1CC2=CC(=CC=C2)NCC3(CCNC3)C,19264969BBAF2E2C_804A82BCFB4B924B_6041_DP,7.7048707,00000000000000000000000000000000000000000000000000000100000000000010000000010000101101100011000010001000100010011001101011100000110101010110001000011111010110101111010,XIMIURAYARDVPS-UHFFFAOYSA-N
+CC1=CC2=C(C(=C1)C)N=C(C=C2C)NCC3N(C)CC4(CC3)CC4,A877D684D6B1A8BC_A24A0D2CF17F37A6_6041_UN,7.7045345,00000000000000000000001000000000000000100000000000000000000000000110000000010101001001100011010000101100010010011001101011100100110001010110011001011111010110101111010,UHYFYQUHHJGERL-UHFFFAOYSA-N
+CC1=N[N](C)C(=C1F)NC(C)(C)CC2=CC3=C(C=C2)CCCC3,8B5E2DD9589078E5_43F570D3610C09B6_6041_UN,7.7044888,00000000000000000000000000000000000000100010000000001000000000000110000000110101100100010000011010000100110100011001001011101100110001110100011011011111000110101111010,GIERGWPGZRBWHH-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)C2CC2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,9A64539DC78BDB09_3B2FBB79F51BE796_6041_UN,7.7042203,00000000000000000000001000000000000000000010000000001000000000100100000000010001101101110011011010101000000110010001101011101100110001110110001011011111010110101111010,RNLNIIPTBFGXHO-OXJNMPFZSA-N
+CCN3CCC1=C(C(=CC(=C1)NCC2(CCOCC)CC2)F)C3,757DCFE6FBEE04EB_3CBC3B5B2BCED5FE_6041_UN,7.7036266,00000000000000000000001000000000000000000010000000000000000000000010000000010000001001110011000000101100010111011010101001100010110011110110001011011101010111101111110,JBVQMUKZSWESHR-UHFFFAOYSA-N
+C1CNCC(C1)C3=C2C=CN(C2=CC=C3)CC4(CCN)CCNCC4,24CF90DCA6A5065E_6909B99CF42C4C05_6034_UN,7.703599,00000000000000000000000000000000000000000000000000000000000000100110000000010000001111100011000010101100110000011000001011100100110100000110001001011001010110100111010,ABUNOVUHFXSJCW-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)N[C@@H]2C4=C(OC3(C2)CCCC3)C=CC(=C4)F)CC=C,77ABC9F61CFE9DCC_9D29C689AC46F588_6041_UN,7.702182,00000000000000000000000000000000001000000010000000000000010000000010000000000000000000010001000011110100110100011100101000000100110011110100000011010011100111101111110,JQIWPQVSLBYLBD-NRFANRHFSA-N
+NCCC1=C(N(C2=C1C=CC=C2)CC3(CCN)CCNCC3)C(F)(F)F,A3E311F0CE81176F_8439A9510CC31E43_6034_UN,7.7021337,00000000000000000000000000000000000000000010000000000000000000000110000000010000001111100001000010101100111100011000001011100100110100100110001011011011010110100111010,KEZSFXNOQIUFJB-UHFFFAOYSA-N
+CN(C)CC(F)(F)COCC1=CC(=C(C=C1)N2CCCCC2)C,D189EFECA4A9525F_8754A54328A1D9F9_6039_UN,7.702047,00000000000000000000000000000000000000000010000000000000000000100000000000110000000001100000010001101000000111011001001001100010110001110110011011011110010111101111110,PVZBBBLOVIWOSZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCC2)NCCC3=CC=C(C(N(C)C)=O)C=C3,B3C769A5A9CD2829_DED4F39202EE23B6_6041_UN,7.701275,00000000000000000000000000000000000000000000000000000000010000000000000000100000001101100001110010001100110001110100011000100100000011010110001011011101111111111111110,YEKIZECPSQCNJP-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=C1)NCC2CC3(NCC2)CC3,E46866D470060640_3586C98295B28524_6041_DP,7.7008567,00000000000000000000101000000010000000000000000000000000000000000010000000100000001000100011010000101000110000011000001001000000110101010110011011011111010110101111010,ZAHVUQMVOIZACM-UHFFFAOYSA-N
+CC1(C)CCSC2=C1C=C(C=C2)NCCN3CC(C)(CC3)F,BF4D38E8ABD39A28_83961FD0D1FF9430_6041_UN,7.7001615,00000000000000000000000000000000000010000010000000000000000100000010000000110001011101111001000010101100110110011001101011100000110001110110011011011101010110101111010,OWTIGPLEFYOZMM-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NCC2C3CCCCCC23,A2492F2A37DFA631_DA15BCB3F1DE6221_6041_UN,7.699756,00000000000000000101101000000010000000000000000000000000000000000000000000100000001000100001010000001100010000001000001000000000110001010000010000011101010110101111010,LQBHNMDVRKYTAO-UHFFFAOYSA-N
+CC1=N[N](C(=C1)NC24CC(OC23CCNCC3)(C)C4)C5=CC=CC=C5,37061DBC71631ADD_A0F40B1C36EF446A_6041_DP,7.6967287,00000000000100000000000000000000000000100000000000001000010000100110000000010101101100100011001111101000110010011001001011101100110111010110001011011111110011101111110,CPKAROQNDHKXOM-UHFFFAOYSA-N
+C1(=CSC(=C1)CC#N)NC3(CC2=C(OC)C=CC(=C2)F)CC3,B7C42D4121B45923_38366470A68C30D1_6041_UN,7.6959643,00000000000000000000001000000000000010000110000000000000000000000010000000000000010100011011010010000000100110011100000000000111010001110100001110010011100111101111110,NQMGZFUJMJYNOP-UHFFFAOYSA-N
+O(C1(CC=C)CCOCC1)C2=C(C=C(CN(C)C)C=C2)Cl,C05147451873DA16_1972CD60D091A8C5_6035_UN,7.6957088,00000000000000000000000000000000001000000000000000000000010000000010000000100000000001110100010000111001000101001101001000100011110010100110000111011110110101111111110,UFJNMXSWSUJDNA-UHFFFAOYSA-N
+C2(=C(C=C1[NH]C=NC1=C2)C#N)NCC3=C(N(C)C)C=C(C=C3)C,5D4748152807B23D_F5876EFF95A225E6_6041_UN,7.6951394,00000000000000000000000000000000000000000100000000000000000000000100000000100101101101100000010010001100010010000000000011100100000101010100011011001111010110101111010,XTWKELPZGHPNMP-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2OCCO2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,15D12FF2D9F8C9BF_61DDB6446ED3FEC9_6041_UN,7.6929708,00000000000000000000000000000000000000000010000000000000010000100000000010010001100101110011010010001000100111010001101011110100000011110110001001011011010011111111110,HDZKDUVBCGZAAU-MOPGFXCFSA-N
+FC1=CC2=C(N=C1)C(=CC=N2)NC34COC(C)(C3)CCC4,EC4FB02203C4C4CE_38E2291531BA107F_6041_UN,7.692411,00000000000000000001000000000000000000000010000000000000010000000110000000000001100100010011000111100100110111011001101011000100110011110100001001010001110011101111110,JWUUSEHUEZIHIX-UHFFFAOYSA-N
+O(CC1(CC=CCO1)C(F)(F)F)C2=CC=CC(=C2)C(C)(C)C,441E84353A813AA2_E7025CFE80A32088_6035_UN,7.6920347,00000000000000000000000000000000000000000010000000000000010000000010000010100000000000000000000000110000001101001100000000000011010010100110010101000100110101011011110,WDRSVXDPGSTWEB-UHFFFAOYSA-N
+COC1(CCOCC1OC2=C(C=C(C(=C2)F)Cl)C3=CC(=CC=C3)C(F)(F)F)OC,1E6DF0A74556F9BA_D2887EE43FC4110E_6035_UN,7.69194,00000000000000000000000000000000000000000010000000000000010000100000000010000000000000110100010000100001001111001100101000010111110010100110100111110110110001011011110,PQUBFXNLUDPCSX-UHFFFAOYSA-N
+C(C1COCCN1)C2=CN(C3=C2C=CC=C3)CC4(N)CCC(F)(F)CC4,FC2F9D409C82AFD1_393DF45AA0620F74_6034_UN,7.690978,00000000000000000000000000000000000000000010000000000000010000000110000000010001001111110011000110101100110101011000001011100100110111100110001001011001010111100111110,OZWOATJFRSRNJG-UHFFFAOYSA-N
+C1(=NC(=CC=C1)C2OCCO2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,22CDB9D4F3BE6CBB_A9CDAB2A2988D209_6041_UN,7.69043,00000000000000000100100000000010000000100000000000000000010000100100000010100100001100100000010110101000000001001000001011010100000011010110011001011101010111111111110,RJLHHQHWYCRKJU-UHFFFAOYSA-N
+C1(=CC=C(S1)C2(CCC2)C#N)N[C@H]3[C@H](OC)COCC3,E0538E57B80DBE0E_390F45DD2BEC5EB7_6041_UN,7.6899285,00000000000100000000000000000000000010000100000100000000010000100010000010000000010100101010010111100000100011011000101010000011110011010110001100010011110011111111110,QGGSIFKPIUEUQI-VXGBXAGGSA-N
+O[C@@H]2C[C@H](OC1=CC=CC(=C1)CC=C(C)C)C23CCOCC3,8BB8D8ED455B978D_5A61CF693A31B709_6035_DP,7.6892905,00000000000100000000000000000000000000000000000000100000010000000010000000101000000000100111000000110000110001001100101000000011110010000111000101110100110101011011110,MYLWPJMQAOEZML-MSOLQXFVSA-N
+CC1=NC(=CC(=C1)C#N)NC[CH]3C[C]2(C[C](C)(C2)C)C3,26F2B3DEEEEBFB4F_C1A6B0C4C93B3664_6041_UN,7.6881332,00000000000100000000000000000000000000100100000000000000000000000110000000100100001000000010000000101000010010001001000001000000100001010100011000000101010110101111010,NBOVBZGCHYHUBR-UHFFFAOYSA-N
+O(C2CCOC1(CCOC1)C2)CCN3C(C)COCC3,7E19BC4C2F58DD8B_8A7B19DBBA66F188_6039_UN,7.687288,00000000000000000000000000000000000000000000000000000000010000000010000010010000000101100100000110101000010011011001101011100011110010000110100101111010110111111101110,WOHBAMFNOSTSMG-UHFFFAOYSA-N
+CN(C)[C@@H]2CCC[C@H](OC1=C(CC)C=C(C(=C1)Cl)Cl)C2,0ECB47E21746BC0A_B9C0B4F2EDBB4182_6035_UN,7.687226,00000000000000000000000000000000000000000000000000000000000000000000000000100000000001110000010001000001000110010110101000100011110011100000010111011110100111101111110,DHSAITTXPYMOSS-OLZOCXBDSA-N
+CN(CC1=CC(=CC=C1)N[C@@H]2COC[C@H]2N(C)C)C3CC3,12CCABA6AC69510A_9703537F43902B43_6041_UN,7.6871552,00000000000000000000001000000000000000000000000000000000010000000000000000100001000101100011010111001000100011010001100000100000110001010110011000011111010111101111110,JEKYMQCGDHOPHI-IAGOWNOFSA-N
+C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)NCC4=C(N(C)C)C=C(C=C4)C,7886D79AD4B1271D_4F83A44109A09017_6041_UN,7.6869926,00000000000100000000000000000000000000100100000000000000000000000110000000100100101001100000010000101100010010001000001001100100110001010100011011011111010110101111010,AJRQEJJNJKRRCA-UHFFFAOYSA-N
+C2(=CC(=C1OCCC1=C2)CC#N)NCC3(N(C)C)CCCC3,7AC853929B86226C_D355A70494B42277_6041_UN,7.6861763,00000000000000000000000000000000000000000100000000000000010000000010000000100001001101100011010010001100010011011100101000100000110011010110001010011101110111101111110,KJKFXTJZPJZFSA-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(C=CC=C1)NCC2(C)CCC3(CC2)CC3,75833A66BC910C44_4D364920611598AE_6041_UN,7.6857905,00000000000000000000101000000010000000000000000000000000000000000010000000100000001000100011010000001000010000001001101000000000110001010000010011011111010110101111010,KXCNZHXSHWVGNW-UHFFFAOYSA-N
+CN4CCC1=C(C3=C(N1CC2(NC(C)C)CCNCC2)C=CC(=C3)Cl)C4,A044ADA0740DE18A_B139A3CA7984EB7E_6034_UN,7.6834717,00000000000000000000000000000000000000000000000000000100000000000110000000110001101101110011010010101101110110011001101011100100110101100110011011011101010110101111010,AWNPITLGDOMLMK-UHFFFAOYSA-N
+FC1=C(C2=C(C=C1)OCO2)NCC(OC)C3CCOCC3,B478955C05322E83_72C154AB4382060D_6041_UN,7.6832304,00000000000000000000000000001000000000000010000000000000010000000000000010000000001100110001010111101100010111000100101010010010110011110110100011110011110111111111110,ANBHHRWUUGLPCL-UHFFFAOYSA-N
+C2(=C1COCC1=CC=C2)NCC4=C(N3CCCN(C)CC3)[N](N=C4C)C,C10B88D5D7902B95_ADB3EB2879BE1FBE_6041_UN,7.682344,00000000000000000001000000000000000000100000000000001000010000100100000000010101101101100011011011001100010011010001101011101100110001010110011010011111010111101111110,YPYNIGMTQDAEJH-UHFFFAOYSA-N
+CC1=N[N](C)C2=C1C=C(C=N2)NC3CCN(C)C34CCCNC4,9733BA228E9170F2_03FE5AF204CAEB5A_6041_DP,7.6818385,00000000000000000000000000000000000000100000000000001100000000000110000000010101101101100011011010101100110010011001101011101100110101010110011001011101010010101111010,BIXRMTBOWLWDKR-UHFFFAOYSA-N
+C[N]1N=C(C=C1F)NCCC3=CC=C(N2CCN(C)CC2)C=C3,4017CC82148BCE6C_E4CD274E177256FF_6041_UN,7.679243,00000000000000000000000000000000000000100010000000001000000000100100000000010101101101110000011010101000100100010001101011101100110001110110001011011111010110101111010,FILRQTGDUAADOX-UHFFFAOYSA-N
+CN1C(COCC1)CCOCC2OCCN(CC(C)C)C2,BF9158784F8F8CED_778FA0D5D977C1E6_6039_UN,7.678323,00000000000000000000000000000000000000000000000000000000010000000000000010110000000001100000010101101000000011010001101011100010110010000110011001111110110111111101110,BKTQOIBHRVOPDN-UHFFFAOYSA-N
+CC1=C(C=C(C(=C1)NC[C@H]2[C@H](OC)CCCC2)Cl)C3CC3,6569F7CA2BB5C431_B3977F3147CE6C40_7022_UN,7.6752553,00000000000000000000001000000000000000000000000000000000000000100000000000000000001000010011010001001001000110000000101000000011110011110000000111010111110111101111110,VYPLXIXSHXPYIY-KBXCAEBGSA-N
+CC4(C)C[C@H](OC1=CC2=C(C=C1)COC2)C3=C(C=CC(=C3)F)O4,DF06A9ECC7764FF6_897B41FC365894B6_6035_UN,7.6746893,00000000000000000000000000000000000000000010000000000000010000000010000000100000000100110100000010100100010101001101000010000111010010100110000111100100110001011011110,FAOUEMMXBMECNO-SFHVURJKSA-N
+CC1=C(C2=C([NH]1)C=CC=C2)NCC3(N(C)C)CCSC3,7BC5AFBE8B0834A7_40420DE8B60845E6_6041_UN,7.673753,00000000000000000000000000000000000010000000000000000110000000000110000000100001101101101011010010001100010010011000101011100100110101010110011010011111010110101111010,QWOYBOPSJJCCMN-UHFFFAOYSA-N
+CC1=C(C=CC(=C1)COCCN(C)C)N2CCOCC2,8254DF74137534DC_56383BFAF4D0D51E_6039_UN,7.6732645,00000000000000000000000000000000000000000000000000000000010000100000000000110000000001100000010100101000000011010001101011100010110011010110011011011110010111111111110,GJVJTOUYINWRAM-UHFFFAOYSA-N
+NC3(CCOCCC1=CC2=C(C=C1)OCCO2)CCC(F)(F)CC3,0D17B75E2EACFF59_08AAD15DAA2E857A_6039_DP,7.6720533,00000000000000000000000000000000000000000010000000000000010000000010000010000000000010110010000001100100110101011100001010000010110011100110000011110001110111110111110,MWFBCYRRWZIFOS-UHFFFAOYSA-N
+CC3(C)C[C@H](OCCOC1CCSCC1)C2=C(C=CC(=C2)F)O3,C2C46D9D11052BE4_72859858A3C515FC_6039_UN,7.6705585,00000000000000000000000000000000000010000010000000000000010000000010000010100000000000111100000000100100010101001101001010000011110010100110000111110100110101011011110,MATRGKAZCPLDFA-KRWDZBQOSA-N
+C1(=CC2=C(N=C1)C(=CC=C2)F)NC34COC(C)(CC3)C4,8201BCA440A12DEB_E5BDD9A0EB02E714_7022_UN,7.669996,00000000000000000000000000000000000000000010000000000000010000000110000000000001000100010011000111100100110111011001101011000100110011110100001001010001110011101111110,USRFEGJEBUROTD-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CN2CCCC2)NCCC3CCN(C)C3,B0E78971341076B6_0B9E57A079105826_6041_UN,7.6694117,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100001010010001000100010010001101011100000110001010110001000011001010110101111010,LANLKASWSIDYIJ-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=C(C=CC=C1)NC2CCN(CC2)C3CCCC3,352BFD693A17B3F4_4F447C91712B59B7_6041_UN,7.669012,00000000000000000000000000000100000000000000000000000000000000100000000000110100100001100010011010101000100000010000001001101000111001010110011011011111010010101111010,YPYQHHDSDIJJRK-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC=C1)NCC2(OC)CCOCC2,5520859A6D3EE51B_B5B78C9512537875_6041_UN,7.6688623,00000000000000000000000000000000000000000000000000000000010000000010000000100000101001100111010100101000000011001001101000100011110011010110011111011111110111111111110,HFNVKSMBEXSTGC-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC(=CC=C1)NCC2CCNC3(C2)CCC3,BD03EE32E3DD2780_5876AADF3C106D83_7022_DP,7.6687703,00000000000100000000100000000010000000000000000000000000000000000010000000100000001000100011010000101000110000011000001001000000110101010110011001011101010110101111010,WXJJENGDTRADSS-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NCC2C3CNCC23,2BA2696E8C73F677_09B9FB81F2003BEB_6041_DP,7.6682744,00000000000000000100101000000010000000000000000000000000000000000000000000100000001100100001010010101000010000001000000001000000110101010110011001001101010110101111010,DZMZIJAGJFHUPY-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@@H]1COC2=CC(=C(N)C=C2)OC(F)(F)F,3A2FBEFD3E0EC534_653288EA0C782381_6035_UN,7.667943,00000000000000000000000000000000000000000010000000000000000000000000000000100000000011100100010101000000001111011100101000100011110001110000001111011111110111111111110,YXOONFPKGONSSG-BXUZGUMPSA-N
+NCCC4(OC1=CC2=C(C=C1)CNCC23CC3)CCOC4,A10F5EE206CD4EF6_F63BB3D8CF149C6F_6035_UN,7.6670675,00000000000000000000001000000000000000000000000000000000010000000010000010000000001110100111000011101100110001011100001011000011110110000110001111010001110101110111110,YMXAATPAOCWRPI-UHFFFAOYSA-N
+CN(C)[C@H]1C[C@@H](CC1)OC2=NC3=C(C=C2)C=C(OC(F)(F)F)C=C3,A70EC3135C3291EE_A48ED28898789E72_6035_UN,7.6668067,00000000000000000000000000000000000000000010000000000000000000000100000000100000000001100000110011100100011110111100111001100111010011100100001101011100100011111111110,NUPJQAUIRUZUDS-CHWSQXEVSA-N
+O(C2(CC1=CC=C(C=C1)F)CCOCC2)C[C@@H]4C[C@H]3COC[C@H]3O4,EFEC757C1F1B966E_56B92C306C5E13FE_6039_UN,7.664809,00000000000000000000000000000000000000000010000000000000010000000010000010000000000100110100000010100100010101001000001010000011110010100110100101110000110101010011110,HJRNMEOYTSFVAV-RYQLBKOJSA-N
+COC1=CC(=C(C=C1)NC2=C(C=CC=C2)CN3CCSCC3)[S](=O)(=O)F,03B9017B0F52D1C7_9C9EE2AC39FAB4C1_6041_UN,7.664459,00000000000000000000000000000001000010000010000000010001001111001001000001010000110001101010010001101010001100011100001011101111111001111110001111111011110111111111110,LPHMAQOJQQIMBX-UHFFFAOYSA-N
+CN(C)CC1=NC(=CC=C1)NC(C)(C)CN2CCCC2,9F36C1AC87DFF307_7E1ECF6C35D7DD16_6041_UN,7.6640415,00000000000000000000000000000000000000100000000000000000000000000110000000110101000101100001010010101000100010011001001011100000110001010110011000011101010110101111010,WQISGZSFMDYKAJ-UHFFFAOYSA-N
+COC3(CC=CC1=CC=C(C=C1)C2(CC2)C#N)CCC3,C74DE6ABBCB42172_32C5233A7F3FFD9A_7019_UN,7.663676,00000000000100000000001000000000000000000100000000000000000000100010000000000000000000000000010000010000000010001000101000000011110010000000000100010000100101001111110,QTWGIEIIQWJZAD-UHFFFAOYSA-N
+CN(C)CC(OCCCOC1CCCCC1)C2=CC(=C(C(=C2)F)F)F,8C0B58708A961C79_AE546BB3598F6D83_6039_UN,7.662568,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110100010100001000000101000001001000100011110010100010000111011110110101111111110,BBBLTXRNKWFCKQ-UHFFFAOYSA-N
+CC1CCCN(C1)C2=NC=NC(=C2)NC[C@@H]3C[C@H](N(C)C)C3,77B20B0A866D37C4_3980AB5FFA258024_6041_UN,7.6624413,00000000000100000000000000000000000000100000000000000000000000100100000000110100101001100010010000101000000010010001101011100000110001010110011001011101010110101111010,MEBVFIBGZOMIIY-GOOCMWNKSA-N
+CC4(C)CCC1=C(C3=C(N1CCN2CC(CC)C2)C=CC(=C3)Br)C4,56F42BDF3DEAE7D3_F2E439D3384F6AFA_6034_UN,7.662286,00000000100100000000000000000000000000000000001000000000000000000110000000110001000101110000000010001100010100011011101011100100110000100110011011011100010110101111010,MLSGARDMVULSPV-UHFFFAOYSA-N
+CCC4(COCC1CNCC2(O1)CCC2)CCN(CC3=CC=CC=C3)CC4,D8107218A051EEE1_3C20DDF3C6DD0E09_6039_DP,7.6618547,00000000000100000000000000000000000000000000000000000000010000000010000010010000001001100011000101101000010011011010101011100010110010000110001001011001110101111111110,FNPVOKFEQRTOCE-UHFFFAOYSA-N
+CN(C)CC1CCCCC1OCC3=NC2=C(C=CC(=C2)F)O3,FCAA062B349E78F0_FCCB2D583EB2A706_6039_UN,7.661771,00000000000000000000000000000000000000000010000000000000010000000100000010100000000101110000110111001100010111110001011011100111110010100110001101011110110111111111110,SKWUNRAQVGFWKQ-UHFFFAOYSA-N
+C[N]1N=C(N=C1NCC3=CC=C(CN2CCN(C)CC2)C=C3)C4CCOCC4,B25A71BEA8CB3005_D454A1E618E2031A_6041_UN,7.6610775,00000000000000000000000001000000000000100000000000001000010000100100000000010101101101100000011010101000001011010001101011101100110011010110001011011111010111101111110,SDRMLWZPVSSPQL-UHFFFAOYSA-N
+C1(=CC(=CC(=C1)Cl)C#N)NC[C@@]23CCCN[C@H]2CCCC3,D96B4C51926F2360_660BA9B1A48C4DD4_7022_DP,7.6603913,00000000000000000000000000000000000000000100000000000100000000000010000000000000101000010011000000101101110100011000001001000000110101110110001001010001010110100111010,KONSIQHKWDLSEE-DLBZAZTESA-N
+COC1(CCOCC1OC2=C(C=C(CN)C=C2)Br)OC,AD4C630CFAFE40D9_A15CC04E0C054CD4_6035_UN,7.660132,00000000000000000000000000000000000000000000001000000000010000000000000010000000001010110100010000101000000111001100101000010011110010100110100111110111110101111111110,FCCNZMJJPQRTPL-UHFFFAOYSA-N
+COC1(CCOCC1OC2=C(C=C(CN)C=C2)Cl)OC,87FD8D0F18706577_B035D3637CB386C0_6035_UN,7.6601176,00000000000000000000000000000000000000000000000000000000010000000000000010000000001010110100010000101001000111001100101000010011110010100110100111110111110101111111110,SBQIMFWQBINIHG-UHFFFAOYSA-N
+COC1(CCOCC1OC2=C(C=C(CN)C=C2)F)OC,6A0F150B660FD299_B9ACE1E8900D079A_6035_UN,7.6601157,00000000000000000000000000000000000000000010000000000000010000000000000010000000001010110100010000101000000111001100101000010011110010100110100111110111110101111111110,RGRAFORDVKLEEL-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2OCCO2)NCC3=C(C=C(N(C)C)C=C3)C,A6FD1954F9BD5DB7_AA87A696D08F69CE_6041_UN,7.6596584,00000000000000000000000000000000000000000000000000000000010000100000000010100000001101100000010010001000000001000000101010110100000011010110011011011111010111111111110,YNOFPUIDIJHRKX-UHFFFAOYSA-N
+CN(C)CC3(COCC1=CC2=C(C=C1)OCC2)COC3,C573E350AB865F95_9E7E69F078EB37DA_6039_UN,7.6595545,00000000100100000000000000000000000000000000000000000000010000000010000000100000000101100100010011001100010011001101001010100010100010000110000010111100110101111111110,DJURYKRNUQQVCG-UHFFFAOYSA-N
+C[Si](C)(C)C1=CC=C(C=C1)NCC2CC3(NCC2)CC3,071386EDA590907B_12BBA2C5DDD4CBDC_7022_DP,7.65906,00000000000000000000101000000010000000000000000000000000000000000010000000100000001000100011010000101000110000011000001001000000110101010110011001011101010110101111010,LRPRGNGUDWQQIW-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)OCC4(C=CC3=C2OC(OC2=C(CO)C=C3)(F)F)CC4,8A261AC3EC1B764B_0D954F5AC66BAA39_7019_UN,7.65758,00000000000000000000001000000000000000000010000000000000010000000010000010000000001100110100010010010100011101001101000010010111010000100111100111110000110101011011110,RBUVNVXJHCLPSJ-UHFFFAOYSA-N
+C(C1=CC2=C(C=C1)COCC2)=CC3=C(N(C)C)C=NC=C3F,EE3D54AA27D69EA3_2AECB1DCAFBC0FF2_7019_UN,7.6574574,00000000000000000000000000000000000000000010000000000000010000000100000000100001000001110000010000110100010101000000001011100100110011110110001011011110010011101111110,BBVIIYUGFDIPSZ-UHFFFAOYSA-N
+O(C(=O)CNC2=NC1=C(C=CC=C1)CC2)CC3=CC=CC(=C3)N(C)C,0FE29F1FF4BFED1C_3EC4BCBE90B2A844_6031_UN,7.6561418,00000000000000000000000000000000000000100000000000000000000000000000000000100110001001100011010100101100110001010000001101110110110011010110001011011101011111111111110,XZCVHEWBJAIHSK-UHFFFAOYSA-N
+C1(=NC(=CC=C1)OC2CC2)NCC3(N(C)C)CCOCC3,64271E9DBAFC2AF9_82561B2D4B119079_6041_UN,7.6545706,00000000000000000000001000000000000000100000000000000000010000000110000000100101001001100011110001101000000011111100111011100011110011010110001101011101110111111111110,JNQMDBZQWAWDCM-UHFFFAOYSA-N
+CC3=CC1=C(C=CC=C1NCC2(SC)CCN(C)CC2)O3,30BDCBCBB132E7F0_522C22698128462E_6041_UN,7.653545,00000000000000000000000000000000000000000000000000000000010000001010000000010000011101101011010011101100010010011001101011100100110001010110011001011101110110101111110,SZEJENNXPRLZHY-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3=CCNCC3)CCC4(N)CCCCC4,E0385BF37179FCDB_BB918EC032F42379_6034_UN,7.6528563,00000000000000000000000000000000000000000010000000100000000000100110000000011000101111110011000010111100110100011000001011100100110101100110001001011001010110100111010,GSYXWIKUEOMTBQ-UHFFFAOYSA-N
+COC1(CC4(C1)CNCC(OC2=CC=C(C=C2)OC3=CC=CC=C3)C4)OC,05822B9285B4213A_A60D0E1588BAC3A3_6035_UN,7.652186,00000000000100000000000000000000000000000000000000000000000000000010000000000000001000100010010100101000010000001100100001010111100010000110100101100101110001111111110,XCFQPBUENUJCMA-UHFFFAOYSA-N
+C1(=CC(=CC=C1)CC#N)N[C@H]2[C@H](CC2)C3=C(C=C(C=C3)F)F,0ADB4A5413083804_B944423CE1FDFB51_6041_UN,7.6521325,00000000000100000000000000000000000000000110000000000000000000100000000000000000000000010011000000000000100100010000001000000100000001110000001011010011000110100111010,FAFYOPCEVDPRQZ-SJLPKXTDSA-N
+CC1=NC2=C(C=C1)C=CC(=C2F)NCC3(N(C)C)CCC3,2E44AE947C03A052_526F48E383D54CC0_6041_UN,7.6517124,00000000000100000000000000000000000000000010000000000000000000000110000000100001101001110011010000101100010110011000101001100100110001110100011011011111010110101111010,TZDTXOOHCSXEMV-UHFFFAOYSA-N
+COC1=CC(=NC=C1)CNC(C3=C(OC2=CC=C(OC)C=C2)C=CC(=C3)[N](=O)=O)=O,28E6BCD630802442_4CDECA6B367668E5_6038_UN,7.651508,00000000000000000000000010000000000000000000000001000000100000010100001100000001001000000100111001101010000000110100010101101111001001011100101111101111111111111111110,PKQGMGJIMQDXOL-UHFFFAOYSA-N
+CC4(C)COC3(C[C@@H]2CC(OC1=CC=CC(=C1)C(C)C)C[C@@H]2C3)OC4,1A7B8A330F9D924D_2A1379E6F4E7A5DC_6035_UN,7.6513047,00000000000000000000000000000000000000000000000000000000010000000010000000100000000000000100000010100100010001001101000010010011110010000110010101100100110001011011110,GYBLCWAERMLHHN-UFRUDQCGSA-N
+COC(OC)(OC)C1=CC=C(C=C1)NC3(CC2=CC(=CC=C2)F)CCOCC3,B062819E20C09617_2C927F252AB27420_6041_UN,7.651285,00000000000000010000000000000000000000000010000000000000010000000010000000000000000000110010010001100000101101011000001000010110110011110110110001110101010111111111110,UQXCJIPPLULNHK-UHFFFAOYSA-N
+CC(C)(C)C1=CC2=C(C=C1)OCCC[C@H]2OCC3N(C)CCC3,140DA353BE8A8A2F_7BAA921F79DCFD74_6039_UN,7.6510754,00000000000000000001000000000000000000000000000000000000010000000010000000110000000101100100010110001100010011011101101011100011110010000110010110011110110111111111110,HVPVDMTVSCQRRA-UHUGOGIASA-N
+CN(C)[C@@H]1CCCC[C@@H]1COCCCCC2(CCC2)C#N,6DE20437AD0ABFA0_A3955D09B9CF127B_6039_UN,7.650012,00000000000100000000000000000000000000000100000000000000000000000010000000100000000001100000010001000000000011011000101000100010110011000010001000011110010111101101110,AQDBWJFVKAMTLQ-IAGOWNOFSA-N
+C1(=C(C=C(C=C1)C2CC2)Cl)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,D6C765FCECA2032F_220EC50B9D925547_7022_UN,7.648177,00000000000000000000001000000000000000000000000000000000010000100000000000010000101001110001010100101001000111010001101011100100110011110110001011011011110111101111110,KDBGBBHPNLKDOA-SFTDATJTSA-N
+C1(=C(C=C(C=C1)C2CC2)F)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4,45D6D5250BCC2116_D6CE3706D5D1F4F8_7022_UN,7.6481547,00000000000000000000001000000000000000000010000000000000010000100000000000010000101001110001010100101000000111010001101011100100110011110110001011011011110111101111110,XQZSMOOWKOMXTI-SFTDATJTSA-N
+CN(C)CC(F)(F)COCC1=CC=C(C=C1)CN2CCCCC2,8681BBE1395A1928_97A48333AA198482_6039_UN,7.6481476,00000000000000000000000000000000000000000010000000000000000000000000000000110000000001100000010001101000000111011001001001100010110000100110001001011100010101101111110,VAZOXXXRXMBMHC-UHFFFAOYSA-N
+CC3(C)C[C@H](OC1=C(C=C(CCOC)C=C1)Cl)C2=C(C=CC(=C2)F)O3,F460E014C86DDEE9_72009C801336EB6D_6035_UN,7.6432295,00000000000000000000000000000000000000000010000000000000010000000010000000100000000000110100010000100101010101001101101000000111000010100100010111110110110101011011110,YAGOUOFMHIFJBH-IBGZPJMESA-N
+N3CC(COCC1=CC=CC2=C1OC(F)(F)O2)(C3)C#N,1E10850CF0E04787_E67FA82E619B7B36_6039_DP,7.641907,00000000100100000000000000000000000000000110000000000000010000000010000010000000101100110110000011001100011101001100000011010010100000100110001010100001110101110111110,XWMRDJUWIAYZKK-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1OC2=CC3=C(C=C2)OC4=C3CCCC4,2F9CB85A17F1C22F_43BCAAD9C2474446_6035_UN,7.641498,00000000000000000000000000000000000000000000000000000000010000000000000000100000000101100000010110000100010010010100101000100111110011000100000111011110100011111111110,NVILYYVMQFBPQB-YLJYHZDGSA-N
+C1(=CC(=CC(=C1)F)COC2CCCCC2)OC3CC(C)(C)OC4=C3C=C(C=C4)Br,315758C98092C04E_95098BED8A654815_7022_UN,7.6400228,00000000000000000000000000000000000000000010001000000000010000000010000000100000000000010100000000100100010101001101001000000111110010100100000111110100110101011011110,ISPVNNVUAKXIEF-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C3=C2CNCCC3)CC4(CN)CCOCC4,976431CC7796F435_143C06978E7E80E9_6034_UN,7.6396093,00000000000000000001000000000000000000000010000000000000010000000110000000010000101111110011000010101100110101011000001011100100110110100110001011011001010111100111110,OAEITLWMAPMVEW-UHFFFAOYSA-N
+FC1=CC(=CC(=C1)NC[C@@H]2CCN([C@@H]2C)C)C3(CC3)C#N,EAA178673157E525_91F65CA582930FE4_6041_UN,7.6393886,00000000000000000000001000000000000000000110000000000000000000100010000000010000101101110011010010001000000110011001101001100000110001110110001000011111010110101111010,XKCMJXXFOFHHGV-OLZOCXBDSA-N
+CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NCC4OCC3(CCNCC3)C4,8EAAC3A5DE9700EA_1FE1BB13BA650A3D_6041_DP,7.638056,00000000000000000000000001000000000000100000000000000000010000100110000000110101101101100011010111101000111011011000101011100011110111010110011101011111110111111111110,UIDJIROKOBDNKM-LRUHZDSUSA-N
+C(N1CCNCC1)C2=C3C(=CC=C2)C=C[N]3CC4CCNCC4N,364C0402E7A5EF98_AB745F7506F15B78_6034_DP,7.636554,00000000000000000000000000000000000000000000000000000010000000000100000000010001101111100011000010101100110000010000001011100100110101000110001001011011010110100111010,GSYNZIAAPRCSAG-UHFFFAOYSA-N
+COC1(CCOCC1COC2=C(C=CC=C2)CNC3=CC(=C(C=C3)F)Cl)OC,2AE70DFEFEEBC6B4_1D7FFA2687ED79D1_6035_UN,7.6350594,00000000000000000000000000000000000000000010000000000000010000000000000000000000001000110100010001101001000111001100101000010111110011110110100111110111110111111111110,INJWJMOWSDTBCX-UHFFFAOYSA-N
+COC1=C(C(=C(C=C1)CC#N)NCC2=CN=C(N(C)C)C=C2)OC,159DFF9F50539EA1_296A892B2550D0FB_6041_UN,7.633044,00000000000000000000000000000000000000100100000000000000000000000100000010100100101001100010010101101000000000010100000001100111100001010100011111001111110111111111110,YRTSYOQSDVZKHP-UHFFFAOYSA-N
+C[S](=O)(=NC1=CN=C(C=C1)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)[N](=O)=O)C,67BC0B313E00D4D0_105FEC10B22647A6_6041_UN,7.6312003,00000000000000000000000010000000110000100000000001010000101011010101001101100101001000101000011000101010000000001100010101101111001001011100101101101101110111111111110,GSSNKLCAUVRBIY-UHFFFAOYSA-N
+CC(CCOCC1COCO1)C2=CC3=C(C=C2)CCCC3,83BBEF30B6C3127A_BDAE7B61D8783984_6039_UN,7.631014,00000000000000000000000000001000000000000000000000000000010000000000000010000000000100100100000010000100010001000001101010010010110010000110000011110000110101011011110,NONLTAQAOUEHJU-UHFFFAOYSA-N
+COC(OC)C1=CC(=C(C=C1)F)NCC(C)(C)C2CCOCC2,B17D60AA1218EF90_5E31C48C0C7ABB6C_6041_UN,7.6284847,00000000000000000000000000000000000000000010000000000000010000000010000000100000001000110001010000101000000111001001101000010010110011110110010011110111010111111111110,MROCJSDCPIEJMG-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)O[CH]3C[C]2(C[C](C)(C)C2)C3)F,B65146D55669E017_AD9CEE13E146B1B2_7022_UN,7.627488,00000000000100000000000000000000000000000010000000000000000000000010000000100000000001110000010000001000010110001101000000100011100010100000010110001110110101101111110,GAIQFVMVJBAPJX-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCC2)C#N)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,76426BC4AA206F8D_5F5720B5E817B3F3_6041_UN,7.626378,00000000000100000000000000000000000000000100000000000000000000100110000000100001100001100001010000100000110000011000101001100000100001010100001000011101000010101111010,RHNZSQXAZLGOSP-UHFFFAOYSA-N
+C1(=C(C=CC2=C1OCO2)F)NCC3C(N(C)CC3)C4=CC=CC=C4,957DEA4752680E11_B40D0C93DE6700A8_7022_UN,7.626108,00000000000000000000000000001000000000000010000000000000010000100000000010010000101101110011010111001100010111010101101011110100110001110110001011011011110111111111110,FPFOPSRNDKRLPI-UHFFFAOYSA-N
+CN(C)CC1=NC(=CC=C1)N[C@H]2C4=C(OC3(C2)CCC3)C=CC(=C4)F,DBE55B79A2EE8CEF_216B44DC922655EE_6041_UN,7.6254787,00000000000100000000000000000000000000100010000000000000010000000110000000100101000001110001010001101100110100011101001011100100110011110100001011011101110111101111110,NESWTYKGOBXAQT-QGZVFWFLSA-N
+CN(C)CC1=CN(C2=C1C=CC(=C2)F)CC3CCN(CC3)C4CNCCC4,3FA661E2965F8C0D_9B29ACEA3F425B21_6034_UN,7.625174,00000000000000000000000000000000000000000010000000000000000000100100000000110001101101110011010010101100110100010001001011100100110001100110001001011101010110101111010,YJAQGTXDSSZTPK-UHFFFAOYSA-N
+CC1=C(C3=C(N1CC2(CN)COC2)C=CC=C3)C4=CCNCC4,5F2CC61E30FD78E6_630E3EDBA15CE601_6034_UN,7.625077,00000000100100000000000000000000000000000000000000100000010000100110000000011000101111100011000011111100110011011000101011100100110100000110001011011011010111101111110,HWSCTRPWNKAJCY-UHFFFAOYSA-N
+CC(C)(OCC1=C(C=CC(=C1)C)OC(F)F)C2CCCC2,953C88A2CA9815A9_60B76CDB747A692F_6039_UN,7.624657,00000000000000000000000000000000000000000010000000000000000000000010000000100000000000000100000010000000001111001100101000000011110000100000010110010110110101011011110,IFZOGYKXEFYCKT-UHFFFAOYSA-N
+CC1=CC=C(C=C1)C5CC(OCC4CC2(CC3(C2)OCCO3)CO4)CCO5,D8FC6BDE82C54B18_B68AA639729BFF53_6039_UN,7.6242557,00000000000100000000000000000000000000000000000000000000010000100010000010000000000100000100000010100000010001001000001010010011110010000110100101110000110101011011110,FIGKTOSBYXHDFL-UHFFFAOYSA-N
+CC1=CC=C(C=C1)[C@@H]2CCCC[C@H]2OCCC(C(F)F)N3CCOCC3,0DE9DD9F49035B96_6F00FC185605A174_6039_UN,7.6224985,00000000000000000000000000000000000000000010000000000000010000100000000000010000000001100000000101101000000101010000001011100011110010100110000101011010110111111111110,KWEJGLSETPUINC-SJBAFXMYSA-N
+C1(=NC=C(C=C1)CN=[N]#N)NC3=CC=C(OC2=CC=C([S](C)(=O)=O)C=C2)C=C3,533034E4617F8FAA_07A6B39B245416B4_6041_UN,7.622187,00000000000000000000000000000000000000100000000001011001001111001101001001000100110000001000011000101010000000011100000101001111001001011100001101101001110111111111110,LLJHIWZBVNSHSK-UHFFFAOYSA-N
+N1CCOC[C@H]1CC2=CC=C(C=C2)OC3=C(C=CC=C3OC)C(F)(F)F,71F97018EF97B27C_B9B8E9BC30F526A1_6003_DP,7.620895,00000000000000000000000000000000000000000010000000000000010000000000000010000000001000100001010100101000101101011100001011000111110010100110000111110011110111111111110,LVWXVKXAFCWVPC-CQSZACIVSA-N
+COCC1=C(C=C(C=C1)NCC(CC)(CC)N2CCOCC2)F,3F04DE7DCE386E44_E600CA494A1606CB_6041_UN,7.620591,00000000000000000000000000000000000000000010000000000000010000000010000000010001001001110011010100101000000111011011101011100010110011110110011011011111010111111111110,GXTKHOSARYFVHS-UHFFFAOYSA-N
+CN(C)CC3(OC1=CC(=CC(=C1)F)C2CCCNC2)CCCCC3,F6FB46463EBA3A43_901667ADEC79E5FD_6035_UN,7.62008,00000000000000000000000000000000000000000010000000000000000000100010000000100000001001110011010100101000100110011101001001100011110010100110001101011101110101101111110,KJUITHLJQCFWCF-UHFFFAOYSA-N
+O(CC12CC1COC23CCC3)CC4=C(C)OC(=N4)C5=CC=C(C=C5)F,93AC2B6C5A7FFA32_1D3A3790573544C3_6039_UN,7.620057,00000000000100000000001000000000000000000010000000000000010000100110000000000000000100110100100110100000010101111000111011000110110010100110000011110010110111011111110,GBGJNDICPVTCAS-UHFFFAOYSA-N
+C(C2CCC1(CC1)C2)=CC3=CC(=C(C)C=C3OC(F)F)C,AE68529649B7478F_6678FC8A1772DF2D_7019_UN,7.620016,00000000000000000000001000000000000000000010000000000000000000000010000000000000000000000000000010010000011100001100001000000011110000100000000110010110100001001011110,WTJNTGNKHUISER-UHFFFAOYSA-N
+CN(C)C3CCN(CCCOC2=C(C=C1OCCOC1=C2)Br)CC3,FA4F9E6F056F728E_AC8C2BA24894A791_6035_UN,7.618757,00000000000000000000000000000000000000000000001000000000010000000000000010110000100001110100010001101100010111010100101011100011110011100110001111111110110111111111110,CDWWCPUOHGURMG-UHFFFAOYSA-N
+CN(C)CC1=C(C=CC(=C1)NC3CCN2CCCC2C3)F,667CF773EF27FF88_D195D3A601A84169_6041_UN,7.616978,00000000000000000000000000000000000000000010000000000000000000000000000000100000100101110011010010101100110100010001001001100000110001110110001011011111010110101111010,LSJBEIQNQWTNEZ-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C(=CC=C2)F)N[C@H]3[C@@H](CCCC3)OC4CCCC4,2ABBB444688A1991_02291B998B00706D_6041_UN,7.6161795,00000000000000000000000001000000000000000010000000000000000000000100000000010101000101010011010110000100111100010000001011100111110011110100001111011011100011101111110,NROGWAYPQRUSIQ-NVXWUHKLSA-N
+C1(=CC(=CN=C1)CC#N)N[C@H](C)C2=CC3=C(C=C2)OC(C)C3,BA1783E199EC1F1F_0E07E918D2DBDABC_6041_UN,7.615777,00000000000000000000000000000000000000000100000000000000010000000100000000000001000100000001000010100100010000010101000011000100000011010100001011000101100111101111110,UFWVKLHSABARKS-ZGTCLIOFSA-N
+CN(C)C3CCN(CC1=CC=C(C=C1)NCC(OC)C2CCCCC2)C3,B75872D82BE93876_1356DE3344A74BA8_6041_UN,7.612944,00000000000000000000000000000000000000000000000000000000000000000000000000110001101101100001010110001000000010010000101001100010110011010110011001011101110111101111110,IUVBULQKIQPRTK-UHFFFAOYSA-N
+C1(=NC=C(C=C1)CN2CCOCC2)NC3CCCCC3N(C)C,D0C240735DFEBC22_1EB637E8395788D7_6041_UN,7.6129045,00000000000000000000000000000000000000100000000000000000010000000100000000110101100001100011010100101000100011010000101011100000110011010110001001011111010111101111110,LUHDJQUIOXOWPX-UHFFFAOYSA-N
+CC(C)[C@@H]3C[C@@H](OCC2CC1OCCC1O2)C4=C3C=CC=C4,BE816FE5E0D12D86_13249C4F3869E1C8_6039_UN,7.6104007,00000000000000000000000000000000000000000000000000000000010000000000000010100000000100000100000010000100010001000000101010000011110010000110000110110100110101011011110,FLOXXPWTPAEYIE-UETXADBFSA-N
+CN(CC1CCNC1)C2=NC(=CN=C2)N[CH]4C[C]3(C[CH](N(C)C)C3)C4,247B291701296298_209B0057727E85A4_6041_DP,7.6094413,00000000000100000000000000000000000000100000000000000000000000000110000000100101101101100011010010101000110010011001101011100000110101010110011000011101010110101111010,PUFLDCLRFFQMCR-UHFFFAOYSA-N
+FC1=C(C=CC(=C1)NCC2C(CCCN2C)(C)C)OC3CCOCC3,6457958A277A14F9_5254D810D319D8D0_6041_UN,7.6083703,00000000000000000000000000000000000000000010000000000000010000000010000000110001001001110101010000101000000111011101101011100011110011110110011111011111110111111111110,YJKWDAJJMNZDGZ-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)CC#N)NCC2(CC2)C3=C(C=CC=C3)F,E4FFD192931649A8_D147D7848112D9FF_6041_UN,7.602554,00000000000000000000001000000000000000000110000000000000000000100010000000000000001000010011000000001000000100011000000000000100010001110000001011010011010110100111010,LTXPKLKPSJCWFH-UHFFFAOYSA-N
+C[Si]4(C)C[C@@H](N)[C@H](OC2=C1C=CC=CC1=NC(=N2)C3=C(C=CC=C3)C(F)(F)F)C4,FAA7C2659D9DF414_A7EF9DD6B89CA198_6035_UN,7.602524,00000000000000000000100000000010000000100010000000000000000000100100000000100100100110100011110111100100111100111101010011000111010011100110001111001111110011101111110,NIDNYGGSYBRHAY-SJLPKXTDSA-N
+CC(C)(C)C2=CC1=C(C=CC(=C1)F)N2CC4CCC3(CC3)C4,F8BB54FBD998E523_6A32C6499A15BD50_6034_UN,7.6006184,00000000000000000000001000000000000000000010000000000000000000000110000000110000000101010000000010001100010110001000001001100100110000100100010010011110010110101111010,NIXHOHUXSDSJAT-UHFFFAOYSA-N
+CC(C)(C)C2=CC1=C(C=CC(=C1)F)[N]2CC=C3CCNCC3,DD18F6C43B75CE73_237F1F8DF1B4D4EC_6034_DP,7.5995107,00000000000000000000000000000000000000000010000000100000000000000110000000111000001101110001000010111100110110011000001011100100110000100110011011011111010110101111010,GLAPNLLNBNCMCJ-UHFFFAOYSA-N
+COCC1(CNC1)OC2=CC(=CC(=C2)CCC3=CC=CC=C3)OC,BF87A47DF0F47235_B41AB1B8728C01F0_6035_UN,7.5987806,00000000100100000000000000000000000000000000000000000000000000000010000010000000001000100110010101001000000011001101001001000111100010000110000101110101110101111111110,SGIBBIUIWPDOKF-UHFFFAOYSA-N
+COC(COC1=C(C=C(CCOC)C=C1)Cl)C2CCOCC2,B86DA11D3F760C00_F71A881F11685650_6035_UN,7.5986795,00000000000000000000000000000000000000000000000000000000010000000000000010000000000000110000010000100001000111000101101000000011110010100110100111110110110101011011110,XNCZWETVYMBYBR-UHFFFAOYSA-N
+CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)NCC4OCC3(CNC3)C4,8554448D6ADE0EB6_6D08BC4712B3664E_6041_DP,7.5981326,00000000100100000000000001000000000000100000000000000000010000100110000000110101101101100011010111101000011011011000100011100011110111010110011100001111110111111111110,GZJAFIPFLVHLDE-NOYMGPGASA-N
+NCCC1=CN(C2=C1C=CC(=C2)F)CC3CNCCC34CN(C)C4,0B4B3CD9050CC567_86FF1591F5983D57_6034_UN,7.596855,00000000100100000000000000000000000000000010000000000000000000000110000000010000101111110011010010101100110110011001001011100100110100100110001001011001010110101111010,HAEQOHLOLOVYFX-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CC(=C2)Cl)CC3CNCCC34CN(C)C4,3302B6C02E9A0C0D_848DC51964C7A9E1_6034_UN,7.596835,00000000100100000000000000000000000000000000000000000000000000000110000000010000101111110011010010101101110110011001001011100100110100100110001001011001010110101111010,JECGOUTUIIJRJA-UHFFFAOYSA-N
+NC1C2=C(CCC1)C4=C(N2CCOC3(CN)CCC3)C=CC(=C4)Cl,114D13283E26366A_320BDBFEB9727B0C_6034_UN,7.5959225,00000000000100000000000000000000000000000000000000000000000000000110000000010001001111010011000110001101110101011000001001100111110111100110001111011001110111100111110,LRORNAJYLKTFFV-UHFFFAOYSA-N
+CCC4(COCC2COC1(CCCC1)O2)CCN(CC3=CC=CC=C3)CC4,5C17C45B90FE55BE_BA34A22532E39898_6039_UN,7.5955896,00000000000000000000000000000000000000000000000000000000010000000010000010010000000101100100000010101000010011011010101011110010110010000110000001111000110101111111110,IHJMBTTXRSPUST-UHFFFAOYSA-N
+O(CC2CCOC1(CCC1)C2)C3=C(C=CC(=C3)C(C)(C)C)I,EA655591799ECE18_1420FF7B89AF6D75_6035_UN,7.594773,00000000000100000000000000010000000000000000000000000000010000000010000000100000000000010000000000100000010101001100001000000011110010100110010111010110110101011011110,IBKWVXNYVVXWKZ-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)OCCO2)NCCCN3CCCN(C)CC3,C820F04C56B826E7_F5227D1B7330D4E4_6041_UN,7.5942984,00000000000000000001000000000000000000000000000000000000010000000000000010010001101001100010010001101100110011010101101011100000110011010110001011011001110111111111110,MFZUVPVHNADVPC-UHFFFAOYSA-N
+C[C@@]2(COCCSC1=CC=CC(=C1)C(F)(F)F)COC[C@@H]3CCCN23,37CDE6225BFC1C0E_A4B83FEE08A2B948_6039_UN,7.593915,00000000000000000000000000000000000000000010000000000000010100001010000000000000010101101100000110101100011111011001101011100010110010100110000001011000010111111111110,FWYXARQXNQXANZ-DOTOQJQBSA-N
+C1(=CC=C(C=C1)C[S](=O)(=O)CC#N)NCCC2=CC=CC(=C2)OC,48CA3F414A7911C9_BC331DF6BFE14018_6041_UN,7.5933876,00000000000000000000000000000000000000000100000000010001001011000001000001000000001000101000010001001010100000011100001000001111001011011010001101111001110111111111110,KQYKWHNEYFCKOZ-UHFFFAOYSA-N
+C1(=CN=C(C=C1)C2(CCCC2)C#N)N[C@H]3[C@H](N(C)C)CCC3,5AC92BF73F0250BC_0A36439822068797_6041_UN,7.5929546,00000000000000000000000000000000000000000100000000000000000000100110000000100001100001100011010010100000100010011000101001100000010001010100001000011111000010101111010,ICFKPUNSRBTKLI-HZPDHXFCSA-N
+CN(C)CC1=CN=C(C=C1)NCC2(COC)CCOCC2,E563075829A69906_47FE946F45D8E4A6_6041_UN,7.590417,00000000000000000000000000000000000000100000000000000000010000000110000000100100101001100011010001101000000011001001001011100010110011010110011001011101010111111111110,PEDCKFCTZJJOBL-UHFFFAOYSA-N
+[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)NC3=C(COC)C(=CC=C3)C,4D388BA2F977731B_B30D109C5372873D_6026_UN,7.590349,00000000000000000000000000000000110000000000000001011001001111001001011001000100010000101010011001000110011001001001110100001110001001011000001011101111010111111111110,GPKHQJVJEUYFRA-UHFFFAOYSA-N
+CC1(C)CCCCC1OC2=C(C=C(C)C=C2Br)CC=C,668A837A853DA69E_128211FA78252DFC_6035_UN,7.590268,00000000000000000000000000000000001000000000001000000000000000000010000000100000000000010000000000010000000110001101101000000011110010100000010111010110100101001011110,MHUDOXAUDQSOQK-UHFFFAOYSA-N
+O(CC1(CC#N)COC1)C2=CC3=C(C=C2)C=CN=C3Cl,F7639CEFAEFE19DA_521A5016D4252529_6035_UN,7.5883207,00000000100100000000000000000000000000000100000000000000010000000110000000000000000000110100000000100101010101011100000011000111100000100110001101000000110111010111110,BEHGKIYXAMNIGA-UHFFFAOYSA-N
+FC1=C(C(=C(C=C1)F)CC#N)NCC3(C)CCOC2(CCC2)C3,61204A393F16624C_0C1120CE231CB9BB_6041_UN,7.5872087,00000000000100000000000000000000000000000110000000000000010000000010000000000000001000010011000000101000010111011001101000000000110011110110001011010011110111101111110,JKBULRPEBZFGGG-UHFFFAOYSA-N
+CC1=CC(=C(C=C1)F)NCCN2CCC(N(C)C)CC2,ED5A2CD7E9A282F6_4D88C20CFA125954_7022_UN,7.5844803,00000000000000000000000000000000000000000010000000000000000000000000000000110001101001110001010000101000100110010000101001100000110001110110011011011111010110101111010,DJTYBSPICBAHKE-UHFFFAOYSA-N
+C1(=CC(=CC=C1)C2OCCCO2)NCC3=C(C=C(N(C)C)C=C3)C,12E08AA158CFA999_1D35155497F646B0_6041_UN,7.5808496,00000000000000000000000000000000000000000000000000000000010000100000000000100000001001100100010000101000000001000000101010110100100011010110011011011111010111111111110,KAXYKKBIRYSASM-UHFFFAOYSA-N
+CC5(C)C[C@H](OC1=CC3=C(C=C1)CC2CCCCC2C3)C4=C(C=CC(=C4)F)O5,72E2EC2FED283A2D_EB87BAD33E23ECD5_6035_UN,7.580585,00000000000000000000000000000000000000000010000000000000010000000010000000100000000000010100000000100100010100001101001000000111110010100100000111010100100001011011110,CRLSXDFFFBAGPF-DFSZNTFHSA-N
+CC2=C(C=C1C=CC=C(C1=N2)F)NCCC3COCCN3,4CBBAC9BA28E18CF_29B2C0EAB56E8D29_6041_DP,7.580419,00000000000000000000000000000000000000000010000000000100010000000100000000000001101000110011000100101100110111010000001011000100110111110110001011010011010111101111110,JWJIOTXYNRBBPF-UHFFFAOYSA-N
+O(C2(CC1CO1)CCOC2)CC4=CC3=C(CN(C)C3)C=C4,7B04D32D52DB86D6_0B46AE40A41F5E9E_6039_UN,7.579337,00000000000000001000001000000000000000000000000000000000010000000010000010010000000101100100010010001100010001001001001011100011110010000110000110111000110101111111110,QVTGCFRGTFFXMU-UHFFFAOYSA-N
+CC1=C(C(=C(C=C1)C(C)(C)C)OCC(OC)C2CCCOC2)F,1CBB341144F9F37A_FF97B3708D623B19_6039_UN,7.576902,00000000000000000000000000000000000000000010000000000000010000000010000010100000000000110100010000100000000111001100101000000011110010100110010111110110110101011011110,JROHHXDZYLOPTN-UHFFFAOYSA-N
+C[Si](C)(C)C#CC1=CC(=CC=C1)NC[C@H]2O[C@H](CC2)C3=CC=CC=C3,60BA61ED2C3EF079_454D5765B2F14E43_6041_UN,7.5755987,00000000000000000100100000000010000000000000000000000000010000100000000000100000001100100011010110001000000000001000001000000100110011010100010001011101110111101111110,ABTPSXVLGRBUFH-FCHUYYIVSA-N
+C2(=C1OC=CC1=CC(=C2)F)NC(CC)C3CCOCC3,761B89998D18A502_225029AEB27120EC_7022_UN,7.5749516,00000000000000000000000000000000000000000010000000000000010000000000000000000000000100110011000110100100110111010010001010000100110011110110000001010001110111111111110,RMWZUQXUTCLCKK-UHFFFAOYSA-N
+FC2CCCC(C=CC1=CC(=C(C(=C1)C)OC(F)F)C)C2,0B8F46CB9A2F5B7E_69891A294732F1E7_7019_UN,7.5736427,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000010000000000010000001100000100001000000011110000100000000111010110100001001011110,PQQAWAYRBVIJLQ-UHFFFAOYSA-N
+O(CC1(CNCC1)C2CCOCC2)C4=CC3=C(CCN(C)C3)C=C4F,40ACAEFD9186D533_0F8FFC51F0D8F882_6035_UN,7.572489,00000000000000000000000000000000000000000010000000000000010000100010000000010000001101110011010011101100110101011101101011100011110010100110001111011011110101111111110,WKLDEULZLVLUOZ-UHFFFAOYSA-N
+O(CC1CCCC1OC2CCCCO2)CC4COC3=C(C=CC=C3)O4,91759741EBC98BFC_42CFD0C765047FB0_6039_UN,7.5717316,00000000000000000000000000000000000000000000000000000000010000000000000010000000000000100100000010100100010001000100001010010011110010000110100111110010110101010011110,NYQOJOMBGPVAHX-UHFFFAOYSA-N
+C1(=CC=C(C=C1)C2=C(C=CC=C2)F)NCC3(N(C)C)CCCC3,67D1B6AD7EF8887A_9CAFC1CE39676BA2_7022_UN,7.5705028,00000000000000000000000000000000000000000010000000000000000000100010000000100001001001110011010010001000000110011000101000100100110001110000001011011111010110101111010,KXJUDENRWGGOAG-UHFFFAOYSA-N
+CN(C)C3CCC(OC1=CC(=CC=C1)CC2CCNCC2)C3,67BB12493ECB7EFA_DD4B57162C457DF6_6035_UN,7.5695167,00000000000000000000000000000000000000000000000000000000000000000000000000100000001001100001010011101000100010010100101001100011110011000110001101011101110111101111110,BSUYATZKRSNQKC-UHFFFAOYSA-N
+FC1=C(C=CC=C1)CC2=NN=C(S2)NCC45CC3CC(CC(C)(C3)C4)(C5)C,96DADE1213CB0006_AE404E3C4F44CF80_6041_UN,7.5681553,00000000000000000000000000000000000010000010000100001000000000000110000000000101111100011011001010001100011110011001000011001100100001110100001011000111010110101111010,WOYIJPVRUBDWSC-UHFFFAOYSA-N
+CC1=C(C=C(C=C1)F)NC[C@@H]3[C@@H](C2=CC=N[N]2C)N(CCC3)C4CC4,8D57A4DA35210808_AFE008C710020B62_6041_UN,7.5676513,00000000000000000000001000000000000000000010000000001000000000100100000000010001101101010011011010101000000110010000001011101100110001110110001011011111010110101111010,YVMCCQNOOVKGPJ-QRWLVFNGSA-N
+CC1=C(C=C(C=C1)Cl)NC[C@@H]3[C@@H](C2=CC=N[N]2C)N(CCC3)C4CC4,0EDAAFFA77DF10C4_3E79F912024E62FA_7022_UN,7.567628,00000000000000000000001000000000000000000000000000001000000000100100000000010001101101010011011010101001000110010000001011101100110001110110001011011111010110101111010,UWLARMPHJVIKNV-QRWLVFNGSA-N
+C[N]1N=NC(=C1NCC23COC(C)(CC2)C3)C4=CC=CC=C4,8E3CA6CBCBA49B8C_91D55C0B56D64FB5_6041_UN,7.5672064,00000000000000000000000000000000000000100000000000001000010000100110001000010101101100000011011011101000010011001001101011101100111011010110001011011111110111101111110,OVRPFFXNHXWOHE-UHFFFAOYSA-N
+CC1(C)CCCC2=C1N=C(C(=C2)C#N)NCC3CCCCN3C,72245F8A43F6FDA3_F3791C17E09CC4A2_6041_UN,7.567029,00000000000000000000000000000000000000100100000000000000000000000110000000110101101001100011010000101100010010011001101011100000110001010110011011011111010110101111010,VFCPOMVVCAFKMJ-UHFFFAOYSA-N
+C2(=C(C=C1C=CC=CC1=C2)Cl)NC[C@@H]3CCCN(C)[C@H]3C4=C[N](N=C4)C,FAB8CD543EAEAC95_E9757A7904DA7BF4_7022_UN,7.564418,00000000000000000000000000000000000000000000000000001000000000100100000000010000101101110011011010101101010110010001101011101100110001110110001011011111010110101111010,GYYXQMGVURVNIG-LAUBAEHRSA-N
+C2(=C(C=C1C=CC=CC1=C2)Br)NC[C@@H]3CCCN(C)[C@H]3C4=C[N](N=C4)C,0B2A953F8B47D1E2_B995324FEF511F82_7022_UN,7.5644097,00000000000000000000000000000000000000000000001000001000000000100100000000010000101101110011011010101100010110010001101011101100110001110110001011011111010110101111010,OPKYSQRVABEHLJ-LAUBAEHRSA-N
+C1(=CC=C(C=C1)CN2CCCCC2)NCCC3CCN(C)C3,CE6143E63903199E_27084421B38356D4_7022_UN,7.5643044,00000000000000000000000000000000000000000000000000000000000000000000000000010000001101100001010010101000100010010001101011100000110001010110001001011001010110101111010,QWOUVOJGTGTZMD-UHFFFAOYSA-N
+O([C@H]1CCN(CC(F)F)C1)CC2=CC=CC3=C2OC(C)(C)C3,41C63E1185092EC0_0D9B5F7E90A8C9FD_6039_UN,7.5638475,00000000000000000000000000000000000000000010000000000000010000000010000000110000000101100100000111001100010101011101001011100011110010100110000110011100110101111111110,RCGCBNUQRSOZMR-AWEZNQCLSA-N
+CC(C)(C#N)C1=C(C=C(C=C1)NC2CNCC3(C2)CCC3)F,D61747A5D66AB8BC_B00908178EFDDEED_6041_DP,7.563615,00000000000100000000000000000000000000000110000000000010000000000010000000100001001000110011000000101000110100011000001001000000110101110110001011010111010010101111010,AOTXHFFWAWBYHO-UHFFFAOYSA-N
+C2(=CC1=NC(=C[N]1C=C2)C#N)NC[C@@H]3C[C@H](N(C)C)C3,BAC953ABBBB4D950_72BBAEE18BED5440_6041_UN,7.5623302,00000000000100000000000000000000000000100100000000000000000000000100000000100101101101100010010010101100010000010000100011100100100001010100001000001101010110101111010,DWMYARVDWVMDPL-VDISTLRHSA-N
+C2(=C1C=CC=CC1=C(C=C2)Cl)NCC3(N(C)C)CCCC3,B0281C569CA977BF_6E20A6A3DD24658A_7022_UN,7.562205,00000000000000000000000000000000000000000000000000000000000000000010000000100001001001110011010010001101010110011000101000100100110001110000001001011101010110101111010,CLSWBKPVGVBMGN-UHFFFAOYSA-N
+CN(C)[C@@H]1CCCC[C@H]1COCC2=CC=C(C=C2)CN3CCOCC3,EDFEE4E541A2A2EE_8368286F6D4DA457_6039_UN,7.561896,00000000000000000000000000000000000000000000000000000000010000000000000000110000000001100000010101101000000011010000101011100010110011000110001001011110010111111111110,YZYZDFHPQGOKFE-LEWJYISDSA-N
+CN(C)C4CCN(CC1=CC=C(C=C1)NCC2(C)C(OCC2)C3CC3)C4,5902DAB2CC2BAFA6_152B21DA571ED5B3_6041_UN,7.5618453,00000000000000000000001000000000000000000000000000000000010000100010000000110001101101100011010011001000000011011001101011100000110011010110011000011111110111101111110,FXBWEHRQXNJZAJ-UHFFFAOYSA-N
+C1(=C[N](C=N1)C2CCOCC2)NC3=CC(=CC(=C3)F)N(C)C,B90D8E5B9528BEA0_12C18A4937A09D6B_6041_UN,7.561656,00000000000000000000000000000000000000100010000000000000010000100100000000110101100101110000010011100000000101010000001011100100110011110110001001011101010011101111110,IZNDRHVDEYNGJU-UHFFFAOYSA-N
+O(CC2CC1=C(C=CC(=C1)F)O2)CC3=CC=CC(=C3)N(C)C,62C644938FB2FAC0_A1715FB8C58A06FE_6039_UN,7.555909,00000000000000000000000000000000000000000010000000000000010000000000000010100000000101110000010010000100010101000100000000100110100011110110000011001100110111111111110,BBAOWWKDXMKVCB-UHFFFAOYSA-N
+N4CCC(OCCC2COC1(CCCC1)O2)C(CC3CC3)C4,C539E8970BE817E7_A06296EFA7C0D048_6039_DP,7.5558767,00000000000000000000001000000000000000000000000000000000010000000000000010000000001100100111000011101000110001011000001011010011110010000110000100110011110101110101110,NJOUDSJXADCAQH-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OCC2CCOCC2)NCC3(CN(C)C)CCOCC3,1A8D339A96DBAD79_BBE6A5659EAA09DD_7022_UN,7.555781,00000000000000000000000000000000000000000010000000000000010000000010000000100000101001110011010100101000000111001101001010100011110011110110001111111111110111111111110,RGJHZIAWHOLDCG-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=C(C=CC=C1)NCCC2CCCNCC2,4B34705E8342C381_B87EFC979369465F_6041_DP,7.5539913,00000000000000000001000000000100000000000000000000000000000000000000000000100100101000100011011000001000100000010000001001101000111101010110011010011111010110101111010,YGHBFDODWBCEGE-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1CC2=CC(=CC(=C2)F)N3CCOCC3)C=CC(=C4)Br)C5,4A366857EE894FFF_6C72844234845B05_6034_UN,7.553978,00000000000000000000000000000000000000000010001000000000010000100110000000110000000101110000000110101100010101011001101011100100110011110110001011011100010111101111110,PSNSPGCUNYGHPE-UHFFFAOYSA-N
+CC2(C)N(CC1=CC=CC=C1)CCC3=C(C4=C(N=C23)C=C(C=C4)Cl)C5COCC5,BDA916CFB9D39D31_8D4B86DAFF12A239_2201_UN,7.5514708,00000000000000000000000000000000000000000000000000000000010000100110000000110001000101110000000010101101010111011000101011100100110010100110001011011110010111101111110,ZTGODBAOTUWATM-UHFFFAOYSA-N
+CN(C)[C@@H]1COC[C@H]1OC2=CC=C(C=C2)C3CCCCC3,62EFF5C88EBE9614_E6CAB21CB82BD8C3_6035_UN,7.5513806,00000000000000000000000000000000000000000000000000000000010000100000000010100000000101100100010111000000000011010100101000100011110011000110000101011110110011111111110,RXUVYTUQPWBVAU-QZTJIDSGSA-N
+CN(CC1=CN=C(C=C1)N[C@]23CCC[C@]2(CNC3)F)C4CC4,600B21FCBC19C231_27E8569BF3753DC3_6041_DP,7.5511756,00000000000000000000001000000000000000100010000000000110000000000110000000000101101101110011010010101100110100011001101011100000110101110110001000011011010110101111010,JDCRNIHUKJNPGZ-SJORKVTESA-N
+CN1CCCCC1CCOCCC2=CC3=C(C=C2)OCCO3,3F15E73405FE763E_D6C8A93B1E8C7EC8_6039_UN,7.550868,00000000000000000000000000000000000000000000000000000000010000000000000010010000000001100000010001101100010011010101101011100010110010000110000011111010110111111111110,DYKXPEJATFWUKD-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2CCCN(CC)C2,DB60DFE544ADC3F8_159ED33594AEA9C3_6041_UN,7.5506744,00000000000000000000000000000100000000000000000000000000000000000000000000110100101001100011011000101000000010010010101001101000111001010110011011011111010110101111010,AHFSHVLOHPVTOB-UHFFFAOYSA-N
+O([C@@H]1COC[C@H]1N2CCOCC2)CC(OC)CC3=CC=C(C=C3)F,D0AE951E77F49916_351E28E49CB1F3FB_6039_UN,7.54918,00000000000000000000000000000000000000000010000000000000010000100000000010010000000101110100010111101000000101010000101011100011110011100110100101111010110111111111110,YNIMAJGNCLSZRG-UKKPGEIXSA-N
+CN(CC1=NN=C(C=C1)NC2CCN(C)C23CCCNC3)C4[C@@H]5CNC[C@H]45,F7F9FBF48D103279_5C2911FF2835182E_6041_DP,7.548337,00000000000000000000001000000000000000100000000000001100000000000110000000010101101101100011011010101000110010011001101011101000110101010110001001011101010110101111010,HWGCJHNVZFAXBU-LELYRPEVSA-N
+COCC4(COCC1=CC(=CC=C1)CN2CCCCC2)CC3OC3C4,B751B7C9DE2E2513_DA18547170FD7031_6039_UN,7.5480757,00000000000000001000001000000000000000000000000000000000010000000010000000010000000001100100010010101000010011011001001011100010110010000110000001111000110101111111110,OHUQMDMUJGKRAZ-UHFFFAOYSA-N
+CC(C)(C)[C@@H]1CCCC[C@H]1OC2=CC=C(C3=C2CN(C)CC3)F,ABAAFF080F6B50C9_6B596EE2B12517CD_6035_UN,7.5476384,00000000000000000000000000000000000000000010000000000000000000000010000000110000000001110000010001101100010110011101101001100011110010100110010111011110110001101111110,YBUKCEDFCWOEEB-VQIMIIECSA-N
+N1CCC2=C1N=C(C=C2)N[C@@H]3CCN(C)[C@H]3C4=CC=C(C=C4)F,BFCA1E5741105231_9B53E20C84AA680D_6041_DP,7.5473366,00000000000000000000000000000000000000100010000000000100000000100100000000010101101101110011010010101100110110010001101011100100000101110110001011011011010010101111010,OILXNQMTAYKKIV-WBVHZDCISA-N
+FC1=C(C=C(C=C1)NCC(N(C)C)C2CCCCC2)C=C,D90A756B003D2FEB_BE5E70584AA888B7_6041_UN,7.5471716,00000000000000000000000000000000001000000010000000000000000000000000000000100001001001110001010000011000000110010000101000100000110001110000001011011111010110101111010,MSMKUUPPVRPAIR-UHFFFAOYSA-N
+COC3(CC=CC2=CC1=C(OC(C)C1C)C=C2)CCC3,6174A9471A7B0DCC_8FF6D1314FFA4D44_7019_UN,7.545043,00000000000100000000000000000000000000000000000000000000010000000010000000000000000100000000010010010100010010001100101000000011110010000100010110010110100101011011110,URKIPKQIEJXWPZ-UHFFFAOYSA-N
+C[Si](C)(C)C1=C(N=C(C=C1)NC2CCCCC23CCNCC3)F,A85E8B677E191078_240C48C381EE9A32_6041_DP,7.544705,00000000000000000000100000000010000000100010000000000000000000000110000000100100001000110011010000101000110100011000001011000000110101110110011011011111010010101111010,XWGUVFZPUSSCCA-UHFFFAOYSA-N
+O(CC2=C1OC(OC1=CC=C2)(F)F)CC3=CC=CC(=C3)N(C)C,41DD9671145A36D3_975C1529562E32B7_6039_UN,7.5437813,00000000000000000000000000000000000000000010000000000000010000000000000010100000000101110100010010000100011101001100000010110110000001110110000011101100110111111111110,SGNLJRAMWFEOGM-UHFFFAOYSA-N
+N5CC1=C(C=C(C=C1)NC2CCN(C)C23CCCNC3)C4(CC4)C5,56D3B3A65130EFFD_3887BD22846DB87B_6041_DP,7.5437026,00000000000000000000001000000000000000000000000000000100000000000010000000010001101101100011010010101100110010011001101011100000110101010110001011011001010010101111010,OKMNEYHYKHIRAF-UHFFFAOYSA-N
+O(C1CCC2=C1C=CC(=C2)F)CCN3C(C)(COCC3)C,CE268F7B5F1BD5E8_C873674C8006868D_6039_UN,7.5431085,00000000000000000000000000000000000000000010000000000000010000000010000000110000000001110000000110101100010111011001101011100011110010100110000111011110110111111111110,RJNYXQOSHFCNBL-UHFFFAOYSA-N
+CC1=N[N](C)C(=C1NCC3(C2CCNCC2)CCOCC3)F,B67A8F87E80C4234_97F488D310EFD8F8_6041_DP,7.5429816,00000000000000000000000000000000000000000010000000001000010000100110000000010001101100110011011010101000100111011000001011101000110111110110001011011111010111101111110,PDPSAKCBMDEXHT-UHFFFAOYSA-N
+CN(C)CC1=CN=C(C=C1)NC3COC2(CCNCC2)C3,ACADB87E60A0D822_6CA887C97D9F26DB_6041_DP,7.5391636,00000000000000000000000000000000000000100000000000000000010000000110000000100100101101100001010111101000110001011001001011100000110111010110001001011101110111101111110,SOFJRWHHYNTSLI-UHFFFAOYSA-N
+COC1=CC2=C(C=C1)N(C3=C2CCC3)CC45CC(N)(C4)C6(O5)COC6,5013778701909ED2_53737C3E7569BA53_6034_UN,7.538829,00000000100100000000000000000000000000000000000000000000010000000110000010010000000111100011010111001100110001011100001011100111110011000110001110111001110111111111110,UVDTXHBPWWQBGY-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)N[C@H]4[C@H](C3=CC=N[N]3C)OCC4,8C64823F9A809A49_6A6DD80E2C10F4B9_6041_UN,7.537408,00000000100100000000000000000000000000000000000000001000010000100110000010010000100100100011011111000000100001011000101011101111000011010110001110111111110011111111110,AGZGXLMSVMAGIS-NVXWUHKLSA-N
+FC2=C1CCCC1=CC(=C2)NCC3C(C)N(CCN3C)C,EF36BEA4095AA9B1_3FA7AB7F4DD29C28_6041_UN,7.5358906,00000000000000000000000000000000000000000010000000000000000000000000000000010001101001110001010010101100010110010001101011100000110001110110011011011111010110101111010,OEJVFJPKCDFPHL-UHFFFAOYSA-N
+N(C1=C(C=CC=C1)CCC=C)[S](C2=C(C=CC(=C2)OC)C#N)(=O)=O,28A75D089F12ABF5_628F9CF93E87BE71_6029_UN,7.5331116,00000000000000000000000000000000111000000100000000010001001111001001010001000000010000001011011000010010001000001100011000001111001001011000001111111011100111111111110,HGQVFTDKIRCPLW-UHFFFAOYSA-N
+CN(C)CC1(CCCCC1)COCC3=CC=C(N2CCC(OC)CC2)C=C3,37D97BBDEE8D564F_6808B7385EDAE4F8_6039_UN,7.530964,00000000000000000000000000000000000000000000000000000000000000100010000000110000000001100000010001101000000011011001101001100011110011010110011101011100110111111111110,GCDIKBVPVJVTTO-UHFFFAOYSA-N
+C[C@H]2CC1=C(C=C(C=C1)C)[C@H]2OCC3=NC=C(O3)C4CCOCC4,7B2B6792E66A82F9_6ED702764909AC05_6039_UN,7.530656,00000000000000000000000000000000000000000000000000000000010000100100000010000000000100100000100110100100010011110001011011000111110010000110000111110110110111011111110,YCKUJNKHVQIHHU-XOBRGWDASA-N
+O(CC1(CC#N)CC1)CC2=CC(=CC3=C2OC(OC3)C4=CSC=C4)F,C635990FE5158668_74F68F7B1F45D7B2_6039_UN,7.5306535,00000000000000000000001000000000000010000110000000000000010000100010000000000000000100111100000010100100010101011100000010010110110000100110000011110000110101010111110,NGVSTQCQCZFKBF-UHFFFAOYSA-N
+COC2=C1N=CC=CC1=CC(=C2)NCC3(N(C)C)CCOCC3,E726BF39ED417FE4_0BFDD473D271E48A_6041_UN,7.5296674,00000000000000000000000000000000000000000000000000000000010000000110000000100001001001100011010101101100010011011100101011100111110011010110011101011101110111111111110,NHKCRMFMRRMJNS-UHFFFAOYSA-N
+C4CC1=C(C3=C(N1CCC2N(C)CCOC2)C=CC=C3)CN4,267786F14FAD3028_F26F38A024E5A2D7_6034_UN,7.5288653,00000000000000000000000000000000000000000000000000000000010000000100000000010000101101100001010110101100110011010001101011100100110010000110001011011011010111101111110,HELANVWIVRHIDP-UHFFFAOYSA-N
+CN(C)CC(OC1=CC(=C(C)C=C1C2CNCC2)Cl)CN(C)C,2BD521378B61071C_20350FFC7B1EE90F_6035_UN,7.528635,00000000000000000000000000000000000000000000000000000000000000100000000000100000101101110011010110001001100110010101001001100011010010100110011110011111110101101111110,HUVGSGVGWXNTMV-UHFFFAOYSA-N
+C[N]1C(=NC2=C1C=CC=C2F)N[C@H]3[C@@H](CCCC3)OC4CCCC4,37063912244E39DE_5D841052AF582A17_6041_UN,7.524388,00000000000000000000000001000000000000000010000000000000000000000100000000010101000101010011010110000100111100010000001011100111110011110100001111011011100011101111110,RZSPNKKWROVPMK-NVXWUHKLSA-N
+COC(COC1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)C2CC2,74DCFFB98B8D84D8_DF20FA192DCA98D6_6003_UN,7.524382,00000000000000000000001000000000000000000010000000000000000000000000000010000000000000000000010000000000001111001100100000000011110010100000000110110010110101011011110,PEKIFRBDOHUGQO-UHFFFAOYSA-N
+O[C@@H]2C[C@H](OC1=CC=C(C=C1C)C(F)(F)F)C23CCOCC3,1B2E1A6CBCCC1E3D_31E4960CA2A24CFA_6003_DP,7.5240684,00000000000100000000000000000000000000000010000000000000010000000010000000000000000000100111000000100000111101001100001000000011110010100111000111110010110001011011110,FYSFLFKCGPPBSM-KGLIPLIRSA-N
+C1(=CC2=C(C=C1)COC2)NCC3=CC=CC(=C3)CN(C)C,3274AABDD022C1F6_73B7C6689D7F0737_6041_UN,7.5232577,00000000000000000000000000000000000000000000000000000000010000000000000000100000001101100001010010001100010001000001000000100100110001010110001011001101010111101111110,WPGWLCMKWBHZQG-UHFFFAOYSA-N
+FC2=CC(=C1OCCC1=C2)N[C@H]4[C@H](C3=CC=N[N]3CC)C4,E946731F6B67FCAC_9C6614A9C931B7FE_6041_UN,7.523143,00000000000000000000001000000000000000000010000000001000010000100100000000010000100100010011001110001100110101010110001011101100100011110110001010011011110111101111110,ZLOBLQZCDNSVSI-CHWSQXEVSA-N
+O(C1CCCC2=C1C=CC(=C2)F)CC3=CC=CC(=C3)N(C)C,E5D0C138F9F0FFC7_EBFE02671A9276EA_6039_UN,7.522384,00000000000000000000000000000000000000000010000000000000000000000000000000100000000001110000010000000100010101000000001000100111110011110000000111011100110111101111110,HCZBQIVIKUWXHJ-UHFFFAOYSA-N
+C1(=C(C=CC=N1)CN2CCCC2)NCCCC3=CC=C(N(C)C)C=C3,9A5758FF0C3DCE45_ED621B4A4EA73DEE_6041_UN,7.522254,00000000000000000000000000000000000000100000000000000000000000000100000000110100101101100010010010101000100000010000001011100100110001010110001011011111010110101111010,KAGAPUVQQCLLDW-UHFFFAOYSA-N
+O(C(C1CCCC1)C2=CC=CC=C2)CCC4COC3(CCCC3)O4,F26DC3FC35A90B0E_8122AB8853AD7225_6039_UN,7.5167384,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100000100000010000000010001001000001010010010110010000110000000110000110101010011110,JHMVMIVCQGCJDH-UHFFFAOYSA-N
+CC(C)(C)C4CCC1=C(C3=C(N1CCCN2CCCCCCC2)C=CC(=C3)Cl)C4,71AD68D0642872FF_4C9D88C6668487A8_6034_UN,7.513278,00000000000000000000000000000000000000000000000000000000000000000110000000110000100101110000000010001101010110011000101011100100110000100110011011011100010110101111010,FLJNERKGXNUWRK-UHFFFAOYSA-N
+COC1=CC(=C(C=C1)NCC2=C(C=CC=C2)CN3CCOCC3)[S](=O)(=O)F,47580E049B90D425_EB7C19CB8873F995_6041_UN,7.512739,00000000000000000000000000000001000000000010000000010001011111001001000001010000011001101001010101101010001101011100001011101111111011111110101111111011110111111111110,OHQWLFRHIMNLBD-UHFFFAOYSA-N
+C1(=CC=C(O1)C2CC2)NCC3=CC=CC(=C3)CN(C)C,B33A82C97B85714C_91BBF332B7D608B9_7022_UN,7.5125446,00000000000000000000001000000000000000000000000000000000010000100000000000100000001101100000110010001000000000100001010000100100100001010110001000011101110110101111110,FFTRTSYCWAPSOT-UHFFFAOYSA-N
+CON(C)CCC(C)CCOCC1CC(=NO1)C2CC2,4F7E0C27A0426212_36ADF87EF3E4B2FF_6039_UN,7.512457,00000000000001000000001010000000000000000000000000000000010000100000000110000010000100100000011011001010000011010001101111101010111010000110011000111100110111111100110,YELGWCOPRICQDE-UHFFFAOYSA-N
+O(CC2CCC1COCCC1C2)CC3CCCC(O3)C4=CC=CC=C4,5F7703BAAC8ACAFD_464602771F77D3C4_6039_UN,7.508903,00000000000000000000000000000000000000000000000000000000010000100000000010000000000000100000000000100100010001000000001010000010110010000110000001110000110101010011110,GINAXDPMHSWPTO-UHFFFAOYSA-N
+CN4CCC1=C(C3=C([N]1CCC2SCCNC2)C=CC(=C3)Cl)C4,3CFC9D26649B5F7E_6289A99512D6AACD_6034_DP,7.508301,00000000000000000000000000000000000010000000000000000000000000000100000000010000111101111011010010101101110100010001101011100100110000100110001011011001010110101111010,LFPAGBUWBSIKEZ-UHFFFAOYSA-N
+C1(=CC=C(C=C1)CCN2CCOCC2)NCC3CCCCN(C)C3,B5297000C9F601B2_E04FC1611647B785_6041_UN,7.5081873,00000000000000000001000000000000000000000000000000000000010000000000000000010000101001100011010100101000000011010001101011100000110011010110001001011001010111101111110,MICOOLMIKMZBCX-UHFFFAOYSA-N
+O(C(CC#N)C1CC1)CC2=CC(=C3C(=C2)OCO3)C4=CN=CC(=C4)F,8B8CC25FA098DB00_922E8C332C62619D_6039_UN,7.505424,00000000000000000000001000001000000000000110000000000000010000100100000010000000000100010000000011100100010101010100000011010110110010100110001011110000110101010111110,BQVCEWVUUGJJFB-UHFFFAOYSA-N
+COC1(COC1)C2=CC=C(C=C2)NCC3CCNC34CCC4,67F184F1E3569633_6CC6A1FF40E233F7_6041_DP,7.5041246,00000000100100000000000000000000000000000000000000000100010000100010000010000000101100100011010010001000110001011000101011000011110111010110001100010001110111111111110,XWSQQHOWUPFGOD-UHFFFAOYSA-N
+CC3(C)CC(C)(COCC2CCC1(CCNCC1)CO2)C3,098C4180EE49582F_E939ABB35A47599B_6039_DP,7.503723,00000000000100000000000000000000000000000000000000000000010000000010000010100000001000100001000000101000110011011001001011000010110010000110010001010101110101111101110,YBLFLNOQROWQTM-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1CC2(F)CNCC23COC3)C=CC=C4)C5,570A07DCD95B2C12_0CBFC9AF947AF16F_6034_UN,7.5030637,00000000100100000000000000000000000000000010000000000000010000000110000000110000101101110011000011001100010101011001101011100100110000100110001011011101010111101111110,LGYCBUZKGAEPFU-UHFFFAOYSA-N
+COC1(CCOCC1COCC2=CC(=CC3=C2OC(OC3)C4=CSC=C4)F)OC,0D594910F560B952_F747BAB4520F318A_6039_UN,7.5028706,00000000000000000000000000000000000010000010000000000000010000100000000000000000000100111100010010100100010111001100101010010111110010100110100111110110110101011011110,RTCMTCQATJYZGV-UHFFFAOYSA-N
+CN(C)CC(OC1=NOC2=C1C=CC(=C2)Br)CN3CCNCC3,3B64EF4763E8DE87_CBF9ACA7C265A895_6035_UN,7.5025306,00000000000000000000000000000000000000000000001000000000010000000100000110110001101101110101111111101110110110110101011011101111110010100110001101011101110111111111110,NNCAPMIDRSGDLN-UHFFFAOYSA-N
+C1(=C(C=CC(=C1)F)OCC2CCOC2)NCC3(CN(C)C)CCOCC3,C11373C61C772321_39EC08A5728102E9_7022_UN,7.4999275,00000000000000000000000000000000000000000010000000000000010000000010000000100000101101110111010110101000000111001101001010100011110011110110001111111111110111111111110,QTDDQPOZDJPABN-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1C[C@@H](C)C2=CC3=C(C=C2)OCO3)C(=CC(=C4)F)F)C5,935149B4EFAD2ED6_F4932F1E71F704B9_6034_UN,7.4991145,00000000000000000000000000001000000000000010000000000000010000000110000010110000000101010000000010001100010101011101101011110100110000100110010011011100110111111111110,DONYKZAXDABWBO-CQSZACIVSA-N
+CCOC4CC(OCC1=CC(=CC2=C1OC(OC2)C3=CC=CC=C3)F)C45CCCCC5,7C5FEEBA2648D4BC_A75DCE44F249C49E_6039_UN,7.4985805,00000000000100000000000000000000000000000010000000000000010000100010000000000000000000010100000000100100010111001110001010010111110010100110100111110000110101011011110,YPPIPKXXKSVRNT-UHFFFAOYSA-N
+C(C1COCCN1)C2=CN(C3=C2C=CC=C3)C[C@H]4C[C@](CN)(C4)F,727920AD011C87BD_676D66ADA5886CE0_6034_UN,7.497905,00000000000100000000000000000000000000000010000000000000010000000110000000010000001111110011000110101100110101011000001011100100110110100110001001011001010111100111110,SUDTZZSYCBRFNY-PRKBMKRSSA-N
+C(C1COCCN1)C2=CN(C3=C2C=CC=C3)C[C@@H]4C[C@](CN)(C4)F,CA39CB8CDA652359_5B76F6579C9DD934_6034_UN,7.497902,00000000000100000000000000000000000000000010000000000000010000000110000000010000001111110011000110101100110101011000001011100100110110100110001001011001010111100111110,SUDTZZSYCBRFNY-BRZNQIISSA-N
+CC1(C)CCC2=C1N=C(C(=C2)C#N)NCC3CC4(CN3)CCC4,ABA56DBD0A3996E8_FA134845BFD5686D_6041_DP,7.4971213,00000000000100000000000000000000000000100100000000000010000000000110000000100101101100000011000010101100110010011001101011000000110101010110001010010111010110101111010,QAFGXMFKXRKVRV-UHFFFAOYSA-N
+O(C(C1CCCCC1)C2=CC=CC=C2)CCC4COC3(CCCC3)O4,552B5D680A98E164_2A65543AE4B6BE99_6039_UN,7.4970145,00000000000000000000000000000000000000000000000000000000010000000000000010000000000100000100000010000000010001001000001010010010110010000110000001110000110101010011110,LXMCNXOZHIHPGO-UHFFFAOYSA-N
+FC2=C1N(C3=C(C1=CC=C2)CCCNC3)CC4(CN)COCCN4,AE6318F8E4FB1632_F6E7F1F680750F37_6034_UN,7.4955173,00000000000000000001000000000000000000000010000000000010010000000110000000010001101111110011000111101100110101011000001011100100110110100110001011011001010111100111110,CDUBCKSYXMGBIX-UHFFFAOYSA-N
+CN3CCC(CCOCC1OCCC12CCNCC2)C3,269C53F1C0E24632_087C7D0503526F7E_6039_DP,7.4953403,00000000000000000000000000000000000000000000000000000000010000000010000010010000001101100001010010101000110011011001101011100010110010000110001000011001110101111101110,FTQLKTMFDRFYQV-UHFFFAOYSA-N
+CN(C)C4CCN(CC1=CC=C(C=C1)NC3CC2(CNC2)OC3)C4,4709491E3745F830_228F503AA97A698A_6041_DP,7.493002,00000000100100000000000000000000000000000000000000000000010000000010000000110001101101100011010111001000110011011000101011100000110111010110001000011101110111101111110,MQFKBTDLHYYCGV-UHFFFAOYSA-N
+CC(C)CC1=CC(=C(C=C1)NC2CC(OCC)C23CCCC3)F,CB62AE29544D1A73_87A2E31BC322B3F8_7022_UN,7.4921722,00000000000100000000000000000000000000000010000000000000000000000010000000100000000000010011000011000000110111011011001000000011110011110000010110010111110111101111110,UKZJTVVHWLMHMA-UHFFFAOYSA-N
+C(N1CCNCC1)C2=C3C(=CC=C2)N(C=C3)CCC4(N)CCNCC4,C75FF403C3FC5447_713EA9B518765394_6034_UN,7.4921026,00000000000000000000000000000000000000000000000000000100000000000110000000010001101111100011000010101100110000011000001011100100110101000110001001011001010110100111010,LDDSTNVXZLPMNL-UHFFFAOYSA-N
+CC3(C)C[C@H](OC1=C(C=CC=C1)OC(F)F)C2=C(C=CC(=C2)F)O3,0469512E3D02290E_B422EB876F12EBFC_6035_UN,7.491824,00000000000000000000000000000000000000000010000000000000010000000010000010100000000000010100000000100100011100001101000000000111000010100100000111100110100001011011110,MTHQOKGZULNFBG-INIZCTEOSA-N
+CN(C)C1CC(CCC1)OCC3=CC(=C2OCOC2=C3)C4CC4,5E4605A85830BCF4_25FAC3CDB10910E3_6039_UN,7.491819,00000000000000000000001000001000000000000000000000000000010000100000000010100000000101100000010011000100010011010100101010110011110011000110000111111100110111111111110,YERLHRWUKLHVMK-UHFFFAOYSA-N
+CC1=CC3=C(C(=C1)NCC2(N(C)C)CCOCC2)C=NC=C3,DEA56E01B4109C4B_B45F3A9FFC1C5255_6041_UN,7.491779,00000000000000000000000000000000000000000000000000000000010000000110000000100001101001100011010001101100010011011000101011100100110011010110011001011101010111101111110,CYASALDDMRGBAW-UHFFFAOYSA-N
+FC1=C(C=C(C=C1)CC=C)NCC(OC)C2CCOCC2,092CD3CE723E8486_1642FD649626ECC7_6041_UN,7.4913015,00000000000000000000000000000000001000000010000000000000010000000000000000000000001000110001010100111000000111000000101000000010110011110110000011010011110111111111110,GTRADDIZKFEFAS-UHFFFAOYSA-N
+C[Si](C)(C)CC1=C(C=CC=C1)N[C@@H]2COC[C@H]2N3CCCC3,75E8906253D84F8D_0FE009424FB2A591_6041_UN,7.4910426,00000000000000000000100000000010000000000000000000000000010000100000000000110001000101100011010111001000100001011001001011100000110001010110011010011111010111101111110,GNSWFPKXUZQTGB-QZTJIDSGSA-N
+COC4(COCC2=CC(=C1OCOC1=C2)C3CC3)CCOCC4,2DD0AF75F243168E_A4AB3728750767D2_6039_UN,7.49098,00000000000000000000001000001000000000000000000000000000010000100010000010000000000100100100010010100100010011001100101010010011110010000110100111110000110101011011110,MFTDFPUSZIORIM-UHFFFAOYSA-N
+COCC1=CC(=CC=C1)COC[C@@H]2C[C@](OC)(CN2)C(F)(F)F,AB3A63881949A111_130EB2BDC6CC7536_6039_DP,7.490017,00000000000000000000000000000000000000000010000000000000000000000010000000000000001100100011010111001000101101011001100001000011110010100110000100100101110111111111110,NNQPEIGUYNANLQ-GJZGRUSLSA-N
+FC1=C(C=CC(=C1)C2OCCO2)NCC3=CC=C(C#C[Si](C)(C)C)C=C3,13D3BB4E1940C61C_D75D63B178670BAC_6041_UN,7.489949,00000000000000000100100000000010000000000010000000000000010000100000000010100000001100110000010010001000000101001000001010010100000011110110010011011111010111111111110,MOGJBCKVOSZXKZ-UHFFFAOYSA-N
+C[N]1N=C(N=C1NCC3(N(C)C)CC2=C(C=CC=C2)C3)C4CCOCC4,1025CE7C606454A9_A736AB07DD98EE53_6041_UN,7.4888735,00000000000000000000000001000000000000100000000000001000010000100110000000110101101101100010011010101100011011011000101011101100110011010110011011011111010111101111110,GZXKFSKHERHNLK-UHFFFAOYSA-N
+C1(=CC=C(C=C1)OC2CCCCC2)NCCC(N(C)C)C(F)(F)F,643FC0F464EC7292_A637DB5C2A8FF0B4_7022_UN,7.488143,00000000000000000000000000000000000000000010000000000000000000000000000000100000101001100000010000001000101110011100101000100011110011110000001101011101110111101111110,MIENFAHAVBEXMQ-UHFFFAOYSA-N
+C1(=CC(=CC=C1)OC2CC2)NCCC3=CC=C([Si](C)(C)C)C=C3,BA878B47E567B70A_C169A90C04C7CA73_6041_UN,7.4868894,00000000000000000000101000000010000000000000000000000000000000000000000000100000001000100000010001001000100000011100001000000111000011010000010101011101110111101111110,LOTROFJCSYJYJV-UHFFFAOYSA-N
+COC3CN(C)C(C)(COCC1OCCC12CNC2)C3,F168BB1D36B407AD_E81B0293A7D95905_6039_DP,7.4840746,00000000100100000000000000000000000000000000000000000000010000000010000010010000001101100011010111001000010011011001101011100011110010000110011100111111110111111100110,GFDDBWSTFAEGBF-UHFFFAOYSA-N
+COC2CCCC(OC1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)C2,20E1B22F8948EE30_6C8A4FD56BA75740_6003_UN,7.483815,00000000000000000000000000000000000000000010000000000000000000000000000000000000000000000100010000000000001110001100101000000011110010100000000111110010100001011011110,GHIKUDRJLYZPNP-UHFFFAOYSA-N
+CC1=CC2=C(C=C1)CCC[C@H]2OCC3=CC=C([Si](C)(C)C)C=C3,F47C58A949ED046E_5BDF1DF66ECD86FE_6039_UN,7.4837294,00000000000000000000100000000010000000000000000000000000000000000000000000100000000000100000010000000100010001001000001000000111110010000000010111011100110101001011110,TXWKYKHVXPQECS-OAQYLSRUSA-N
+CC5(C)CCC1=C(C4=C(N1CCC2CCCC3=C2C=CC=C3)C(=CC(=C4)F)F)C5,0C14B1CADEF79BB8_408693A2A44D947C_6034_UN,7.4822545,00000000000000000000000000000000000000000010000000000000000000000110000000110000000101010000000010001100010100011001101001100100110000100100000011011100010110101111010,NXDDUOQEVKJWRT-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)C=CN=C2C#N)NCC4(C)CCOC3(CCC3)C4,222715B67CE09FCB_1D59481D63E17AC5_6041_UN,7.4804335,00000000000100000000000000000000000000000100000000000000010000000110000000000001001000000011000000101100010011001001101011000100110011010110001001010001110111101111110,CYMGBBVLIZERLR-UHFFFAOYSA-N
+CC4(C)CCC1=C(C3=C(N1CC2CN(CCN(C)C2)C)C=CC(=C3)Br)C4,BF60B60414082BB8_6F7FE1C66E81DDC4_6034_UN,7.4799705,00000000000000000001000000000000000000000000001000000000000000000110000000110001100101110000010010001100010110011001101011100100110000100110011011011100010110101111010,VFVILHQNJRCDQR-UHFFFAOYSA-N
+NC[C@@H](OC2=C1CNCCC1=C(C=C2)F)CN3CCCCC3,D600226CF965BE18_8CAA9A76FC698E4F_6035_UN,7.4778433,00000000000000000000000000000000000000000010000000000000000000000000000000010000101011110011000101101100110100010100001011100011110110100110001111011001110101100111110,IFSAXIZOXVWRRS-CYBMUJFWSA-N
+C1CC(CN1)C3=CC2=C(C=CC=C2)N3CC4N(C)CCNC4,514D35140A55435F_B90AB6B3E4355E7A_6034_UN,7.477369,00000000000000000000000000000000000000000000000000000000000000100100000000010001101101100011010010101100110000010001101011100100110100000110001011011011010110101111010,DMHUGRXLBICULU-UHFFFAOYSA-N
+C1(=CC2=C(C=C1)[NH]N=C2C#N)NC34CC5(C)CC(C3)(CC(C4)(C5)F)C,7DE187F8ACB242AE_E83CA22A4FA386D1_6041_UN,7.4769077,00000000000000000000000000000000000000000110000000001000000000000110010000000001100100010001001010000100110110011001000011001100100101110100001001000101000010101111010,HVWFSWKYOOWREZ-UHFFFAOYSA-N
+CC2=C1N=CC=CC1=CC=C2NC[C@@H]3COC[C@H]3N(C)C,A9B87D51DE5A2993_08A8F68B4A11F123_6041_UN,7.4712834,00000000000000000000000000000000000000000000000000000000010000000100000000100000101101100011010111101100010011010000100011100100110001010110011011001111010111101111110,RPQGYMDOFGIAEL-GDBMZVCRSA-N
+CC2=C(C(=C1C=C(C=CC1=N2)F)NC[C@@H]3OCCN(C)[C@H]3C4=CC=CC=C4)C,8BA0450CECF3B91C_DFE39C08B99A6F4A_6041_UN,7.471149,00000000000000000000000000000000000000000010000000000000010000100100000000010000101001110001010100101100010111010001101011100100110011110110011011011111110111101111110,DLVSYFJMPCZLOW-GMAHTHKFSA-N
+O(CC1COCCN1CC2=CC=CC=C2)CC4COC3(CCCCC3)O4,DC95D43BB5A1C624_947514BE947DDB90_6039_UN,7.470573,00000000000000000000000000000000000000000000000000000000010000000000000010010000000101100100000110101000010001011000001011110010110010000110100001111010110111110111110,NXCOTWWEOJTMOY-UHFFFAOYSA-N
+COC(OC)(OC)C1=CC=C(C=C1)NCC2(N(C)C)CCCCCC2,B4351D7ECE1051B9_1B7485AD4268C6C9_6041_UN,7.470503,00000000000000010001000000000000000000000000000000000000000000000010000000100001001001100011010000001000001010011000101000110010110001010000011000111101010111111111110,XGXCEXZYMUUOJP-UHFFFAOYSA-N
+CN(CC1=CN=C(C=C1)NC[C@@]2(CCCN2)C)C3CC3,E1A89C202A914367_1EE5F94A99E93061_6041_DP,7.470377,00000000000000000000001000000000000000100000000000000010000000000110000000000101101101100011010010101000100010011001101011100000110101010110001000011101010110101111010,UFUIXWDVIPPKDN-INIZCTEOSA-N
+O(CC1(CC2CCC1C2)C#N)C3=CC=C(C(=C3)OC)C(F)(F)F,708B52F2237F93EE_4A45FCAF67B6EACF_6003_UN,7.470295,00000000000000000000000000000000000000000110000000000000000000000010000000000000000000000100010011000000011101001100001000000011110000100000000111010010110101011111110,YXEBAZUNGGYNCJ-UHFFFAOYSA-N
+CC3(COCC1CNCC2(O1)CCC2)CCCCN3CC4=CC=CC=C4,0DFBC1236BFC682A_CB5F869357F508BE_6039_DP,7.4701467,00000000000100000000000000000000000000000000000000000000010000000010000010010000001001100011000101101000010011011001101011100010110010000110001001011011110111111111110,BWAUAODGJLQRLQ-UHFFFAOYSA-N
+FC1=CC2=C(C=C1)N(C=C2C3CCNCC3)C[C]5(CN)C[C]4(C[CH2]C4)C5,8431F4F5E2413AA1_64B03F1223692D83_6034_UN,7.464541,00000000000100000000000000000000000000000010000000000000000000100110000000010000101111110011000010101100110100011000001011100100110100100110001001011001010110100111010,OIEJEXGQKPOGCJ-UHFFFAOYSA-N
+NCCC1=CN(C2=C1C=CN=C2)CC3(F)CNCC34COC4,D71E897C84E92163_558F829E5EF0FDE3_6034_UN,7.4622188,00000000100100000000000000000000000000000010000000000000010000000110000000010001101111110011000011101100110101011000001011100100110100100110001000011001010111100111110,DNLREXRWSHPNKZ-UHFFFAOYSA-N
+CN1C(CCCC1)CC=CC3=C(OC(F)F)C=C2OCOC2=C3,A0027131428F7C80_291186C5A69B142D_7019_UN,7.459429,00000000000000000000000000001000000000000010000000000000010000000000000010010000000101100100010010111100011111010101101011110011110000100110000111111010110111111111110,QIFKRLWGVLGWDH-UHFFFAOYSA-N
+COCCC3(COCC1CNCC2(O1)CCC2)CC=CC3,255A75EAB62B2B0C_BBD045E2D8C1AAD8_6039_DP,7.4557896,00000000000100000000000000000000000000000000000000000000010000000010000010000000001000100011010111111000010001001001101011000010110010000110000000110001110101111101110,KLHGBMAQHAYWJH-UHFFFAOYSA-N
+CC5(C)CCC1=C(C4=C(N1CCCNC2CCCC3=C2C=CC=C3)C(=CC(=C4)F)F)C5,F78036BDBAC8734D_48CF2B058555BF79_6034_UN,7.4557323,00000000000000000000000000000000000000000010000000000000000000000110000000110000101101010011000010001100110100011001101001100100110001100110001011011101010110101111010,HLWXUWSMXWDCSB-UHFFFAOYSA-N
+CN(C)P(N(C)C)C1=C(C=CC=C1)NCC2CCCN(C)C2,BB6873805B2FD61A_813F5A85CA8E5C4D_6041_UN,7.4552264,00000000000000000000000000000100000000000000000000000000000000000000000000110100101001100011011000101000000010010001101001101000111001010110011011011111010110101111010,LITYSSZKKGXCEP-UHFFFAOYSA-N
+O(CC12CC1COC23CCC3)CC4=CC(=C(C)C=C4)F,997DAE12A2EDD168_2F3491E92DD3E31F_6039_UN,7.454178,00000000000100000000001000000000000000000010000000000000010000000010000000000000000100110100000010100000010101001000001000000010110010100110000011010010110101011011110,IECUTTYWXJSAKN-UHFFFAOYSA-N
+C1(=C(C2=C(C=C1)C=CC=C2)F)NC3CN(C)C4(C3)CCC4,223DE7C9644875BB_A207F7E701CC00D0_7022_UN,7.4524446,00000000000100000000000000000000000000000010000000000000000000000010000000010001100101110001010010001100110110011001101001100100110001110100001011011011010010101111010,UCRCPRQQAWNCRB-UHFFFAOYSA-N