urdof7 commited on
Commit
c402a8a
·
verified ·
1 Parent(s): 2aa6fe7

Added 103 molecules from epoch 17586 for Q92769

Browse files
Files changed (1) hide show
  1. Q92769_molecules.csv +103 -0
Q92769_molecules.csv CHANGED
@@ -33222,3 +33222,106 @@ rxn:1:64959:15803,COc1ccc(C(F)(F)F)cc1-n1cc(-c2cn(CCCOS(C)(=O)=O)nn2)c(C2CCCCC2)
33222
  rxn:1:65756:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CC=Cc5ccc(F)nc5)nn4)c3F)C2)C1,ULEXERJZCMQMSD-UHFFFAOYSA-N
33223
  rxn:1:9253:49061,CC1=NOC(=O)C1=Cc1ccccc1OCc1cn(CCN2CCSC(C)(C)C2)nn1,NGWOWQMKVJOZFL-UHFFFAOYSA-N
33224
  rxn:1:9281:59714,CSc1cccc(-n2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5cccc(Cl)c5)C5=C4C(=O)CC(C)(C)C5)c4ccccc43)nn2)c1,XMADPXWQTLNOAG-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
33222
  rxn:1:65756:37247,CC(C)(C)OC(=O)N1CC2(CC(=Cc3cccc(-c4cn(CC=Cc5ccc(F)nc5)nn4)c3F)C2)C1,ULEXERJZCMQMSD-UHFFFAOYSA-N
33223
  rxn:1:9253:49061,CC1=NOC(=O)C1=Cc1ccccc1OCc1cn(CCN2CCSC(C)(C)C2)nn1,NGWOWQMKVJOZFL-UHFFFAOYSA-N
33224
  rxn:1:9281:59714,CSc1cccc(-n2cc(CN3C(=O)C4(C(C#N)=C(n5cccc5)N(c5cccc(Cl)c5)C5=C4C(=O)CC(C)(C)C5)c4ccccc43)nn2)c1,XMADPXWQTLNOAG-UHFFFAOYSA-N
33225
+ 01C0747C740B452C_CCD6D9BB523A3183_6035_UN,CC(OC1=CN=C(C=C1)[S](=O)(=O)F)C2=C(C=CC=C2)N3CCN(C)CC3,YMDJXQDVHVZZNA-UHFFFAOYSA-N
33226
+ 03EA4299960E418B_CF327C42C0D63ECB_6026_UN,FC1=CC=C(C=C1)OC2=C(C=CC=N2)[S](=O)(=O)N4CC=C(C3=CN=C(C)C=C3)CC4,MYODIHCQHDUVIU-UHFFFAOYSA-N
33227
+ 04BD50196DBB29D9_87B27B19E47C6FCD_6026_UN,CC1=C(N=CC=C1)[S](=O)(=O)N3CC=C(C2=CC(=CC(=C2)C)C)CC3,HBQJUVQOFRIGPD-UHFFFAOYSA-N
33228
+ 054F31E4C3DE8FE2_ACEA490BD1C579E6_6034_UN,O[S](=O)(=O)C2=NC1=C(C=C(C=C1)Cl)N2CC4=CC(=C(N3CCN(C)CC3)C=C4)F,OULLMNXLHFIUEF-UHFFFAOYSA-N
33229
+ 06366C9A92E11E97_31C05ACDAA4B7BE2_6029_UN,CC1CC(CN1[S](C2=CC=CC(=C2)C(C)Br)(=O)=O)C3=CSC=C3,ZXNHAJWHVMTOQX-UHFFFAOYSA-N
33230
+ 095AE8584BC09231_1BE2A96FC4CBF611_6026_UN,FC1=C(C=CC(=C1)[N]2C=C(C=N2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4)Cl,PTKUFFGVHAVBPR-UHFFFAOYSA-N
33231
+ 0A05C26F01092ADC_B2ADECD1BD2190ED_6029_UN,C1CC(CCN1[S](C3=CC=C(OC2=NC=C(C)C=C2)C=C3)(=O)=O)C4=CSC=C4,VVGKADFEUYRGRJ-UHFFFAOYSA-N
33232
+ 0AC3B4E334D91BD4_53AA7D623BD2210A_6026_UN,CC(C)C1=C(C=C(C=C1)[S](=O)(=O)N3CC=C(C2=CN=C(C)C=C2)CC3)Cl,ZDNUNAQILYKDBM-UHFFFAOYSA-N
33233
+ 0CA5B51668A82163_820542ADD1B85241_6036_UN,CC(C1=C(C(=CC=C1)Cl)C)N([S](=O)(=O)C2=CN=CC=C2)C3CC3,PTNQPNOQWHLDBS-UHFFFAOYSA-N
33234
+ 0F874BAEBC4CBB98_84D27AA50A6F71FC_6029_UN,C1CN(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CC=NC=C3,IOZYTXUFTIPQEW-UHFFFAOYSA-N
33235
+ 1017F03F101BB2C3_7BE738DC38F3D7E3_6041_DP,N1CCOC(C1)C2=CC=C(C=C2)NC(C)C3=NN=N[N]3C,RROGQNKHXQVLFZ-UHFFFAOYSA-N
33236
+ 17CEB50D6B3AEA61_F270942C5C3D89B3_6029_UN,C1CC(CCN1[S](C2=C(C(C)Br)C=CC=C2)(=O)=O)C3=CSC=C3,VHIODLAQBUAWFV-UHFFFAOYSA-N
33237
+ 1AAAA6F53E61689B_E7D0B2DBF6EBFACD_6026_UN,FC1=CC(=CC(=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,OEYRDRNQKWOLEC-UHFFFAOYSA-N
33238
+ 1AC91681DE29C521_E85E8B9FF929207B_6029_UN,C1CC(CCN1[S](C2=C(C)C=C(C=C2)C(F)F)(=O)=O)C3=CSC=C3,HKLMHBOBZJEBDR-UHFFFAOYSA-N
33239
+ 1CA3043B2F106E0E_6903954F865AA907_6029_UN,CC1CC(CN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=CSC=C4,HVTBWKDODVUFKE-UHFFFAOYSA-N
33240
+ 1DB83DBEBBEF26EA_633AFB6F1689896B_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3=C(Cl)C=C(C=C3)Br)C4CCC4,FQHSCPNDFQKHOB-UHFFFAOYSA-N
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+ 1FDBB4970FEFDBE0_5BB62E76BECE848F_6026_UN,ClC1=C(C=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,IUPJGJNFJMPAHX-UHFFFAOYSA-N
33242
+ 211B0C0393941EFD_05B2D84C8886181B_6026_UN,CC1=NC=C(C=C1)[S](=O)(=O)NCC3=CC=C(CN2CCN(C)CC2)C=C3,LMIPPOURRKVUIS-UHFFFAOYSA-N
33243
+ 2366083D7BA16644_1A052F98F13A0055_6038_UN,N(C1=CC(=CC=C1)CC2=N[NH]N=N2)C(C3(C(N(C)CC3)=O)C)=O,IOXTWGDKXGPCDA-UHFFFAOYSA-N
33244
+ 249ED749C3777B49_4ADCC2BE983ECBE1_6029_UN,C1CC(CCN1[S](C2=NC=CC(=C2)C3=CC=C(C)C=C3)(=O)=O)C4=CC=CC=C4,VZSJKCYYMQOOFJ-UHFFFAOYSA-N
33245
+ 286AD94DE43BCBB3_59D89A62FD609A71_6026_UN,ClC1=CC=C(C=C1)[S](=O)(=O)N(C2CCC2)C4=C3N=CC=CC3=CC=C4,NWQFOOMLTLCYBO-UHFFFAOYSA-N
33246
+ 289DEA913203D822_006EEC7424D52EC8_6026_UN,ClC1=NC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N(C3CCCC3)C4=CC=CC=C4,RJZQVSFVOPMGEO-UHFFFAOYSA-N
33247
+ 2ADDC7250D098C3C_C9D25A0896F3511D_6029_UN,C1CC(CCN1[S](C2=CN=C(C=C2)SC3=CC=CC=C3)(=O)=O)C4=CSC=C4,VDEVLKVCJFSUDH-UHFFFAOYSA-N
33248
+ 2C2FCF2EB8988461_C1D1C3ADF877C033_6026_UN,ClC1=CC(=CC=C1)[S](=O)(=O)N(C2CCCC2)C4=C3N=CC=CC3=CC=C4,VJUFKYFXUAOYNZ-UHFFFAOYSA-N
33249
+ 32A3B762912C341E_99B0D691ED18DFE6_6026_UN,FC1=C(N=CC(=C1)[S](=O)(=O)N3CCC(OC2=CC=C(C(C)C)C=C2)CC3)F,CPPDCQFYQNAMQA-UHFFFAOYSA-N
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+ 33042885466CD2F0_901F36B81A4F461F_6026_UN,ClC1=C(C(=CC=C1)C#N)[S](=O)(=O)N3CC=C(C2=C(C)C=CN=C2)CC3,NSKKODNHZIQDSE-UHFFFAOYSA-N
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+ 346FF8FA6D6CF56C_7670C5BBA9DF58C0_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)CO2)N[C@H](C(OC)=O)CC(=O)O,SGBNWUNCXLXDFU-JTQLQIEISA-N
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+ 380401D0C56F8078_D9F0A953AB02A02D_6026_UN,ClC2=C1C=C(C=CC1=CC=N2)[S](=O)(=O)N4CCN(C3=NC=C(C#N)C=C3)CC4,KMPHJGVYNMXBBM-UHFFFAOYSA-N
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