Added 134 molecules from epoch 15604 for P23975
Browse files- P23975_molecules.csv +134 -0
P23975_molecules.csv
CHANGED
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@@ -20060,3 +20060,137 @@ F9BDC1DC1EAE98F5_2C6F2655FDF4719F_6039_UN,CN[S](=O)(=O)CCOCC(NC1=C(C=C(C)C=C1)C)
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| 20060 |
FD1210B658C2A52B_CA7F95E56EF5559D_6041_UN,C1(=CC3=C(C=C1)N=C2CCCN2C3=O)NC5=C4C(NNC(C4=CC=C5)=O)=O,QRFRBTKHIYYKJP-UHFFFAOYSA-N
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| 20061 |
FE296604220E1D20_4212CDB8EBFF9289_6026_UN,CC1=C(C=C(S1)[S](=O)(=O)NC2=C(C(C)C)ON=C2)[N](=O)=O,OCAPDWXBJHDMIV-UHFFFAOYSA-N
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| 20062 |
FF009C38DA6E0A0A_CBA25F8FDE477156_6026_UN,CC(C)C1=NC(=C[N]1C)[S](=O)(=O)NC(C#N)C2=CSC=C2,XDVFWTFQOKBOOI-UHFFFAOYSA-N
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| 20060 |
FD1210B658C2A52B_CA7F95E56EF5559D_6041_UN,C1(=CC3=C(C=C1)N=C2CCCN2C3=O)NC5=C4C(NNC(C4=CC=C5)=O)=O,QRFRBTKHIYYKJP-UHFFFAOYSA-N
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| 20061 |
FE296604220E1D20_4212CDB8EBFF9289_6026_UN,CC1=C(C=C(S1)[S](=O)(=O)NC2=C(C(C)C)ON=C2)[N](=O)=O,OCAPDWXBJHDMIV-UHFFFAOYSA-N
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| 20062 |
FF009C38DA6E0A0A_CBA25F8FDE477156_6026_UN,CC(C)C1=NC(=C[N]1C)[S](=O)(=O)NC(C#N)C2=CSC=C2,XDVFWTFQOKBOOI-UHFFFAOYSA-N
|
| 20063 |
+
010DA38E085D8F86_CEC5D37BA69597A6_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCCCN3C=CC2=C(C=CC=C2)C3=O,RRSWTNLBGJNOKI-UHFFFAOYSA-N
|
| 20064 |
+
03DB9DA8AF2DA313_33D85FD766CFEBAC_6006_UN,NCCC1=C(C=C(C=C1)C3=C2[NH]C=CC2=CC=C3)[N](=O)=O,QNDDNQYYRQFXBZ-UHFFFAOYSA-N
|
| 20065 |
+
08BECE6532820407_58CCF99C9DD42767_6035_UN,NC1=C(C=CC=C1)CCCOC2=NC=C(C(=C2)Cl)[N](=O)=O,KKWNUZNDBLDSRN-UHFFFAOYSA-N
|
| 20066 |
+
09EA181E6C7789A1_46B31863EEB55CAB_6029_UN,CC1=CC(=C(C)S1)N[S](C2=C(C=CC(=C2)OC)CBr)(=O)=O,RXZRTYIUNHOFAI-UHFFFAOYSA-N
|
| 20067 |
+
0A56FC61EA712D0F_73F1E3A3A2744632_6043_UN,C[N]1C(=CC2=C1C=C(C=C2)N[S](C3=C(C=CC(=C3)OC)Cl)(=O)=O)N=C=O,ACZRXABWBVVLLX-UHFFFAOYSA-N
|
| 20068 |
+
0A78C33386FC6B18_C44BC9BE27A29414_6026_UN,CC1=NC(=C(Br)[N]1C)[S](=O)(=O)NC2=CC(=C(C=C2)OC)C3=CC=C(OC)C=C3,WCIXMKWLFCGNND-UHFFFAOYSA-N
|
| 20069 |
+
0C6EAC49D84E9FFF_F8A69CDA2FDDAEFE_7013_DP,[NH]2C1=CC(=CC=C1N=C2C3=C(C(=C(C=C3)[N](=O)=O)OC)O)C#N,CGAJNAZZOZQRGG-UHFFFAOYSA-N
|
| 20070 |
+
13118450D9042532_4650EE36A764C5AD_7019_UN,C(C2=C1C=CC=CC1=CC=C2)=CC3CC(CC)OCC3,XQMUSZLSLGKUNY-UHFFFAOYSA-N
|
| 20071 |
+
13118450D9042532_ECB1E9FCDA37B31B_7019_UN,C(C2=C1C=CC=CC1=CC=C2)=CC3CC(CC)OCC3,XQMUSZLSLGKUNY-UHFFFAOYSA-N
|
| 20072 |
+
131C5A639E9416F8_F44CC25E7FF7C201_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NCC2CCCCNC2,TWKYXEXIEUEOCF-UHFFFAOYSA-N
|
| 20073 |
+
1499247748342A15_A7D645A4FA08B80B_6043_UN,CC1=CC=C(S1)N[S](C2=CC(=C(C=C2)C)N(C)C)(=O)=O,NZZGRBLJUUSTLF-UHFFFAOYSA-N
|
| 20074 |
+
166D8F981F28A008_47C8C88B6B279A5C_6041_DP,COC1=C(C=C(C=C1)NC3=CC2=C(OCCNC2)C=C3)[N](=O)=O,MHSZSQGPIFUPSQ-UHFFFAOYSA-N
|
| 20075 |
+
1B8C03C8D18825DC_BAA6B5324C8E5F0F_6035_UN,CC3(C)[C@@H](OC1=C(C2=C(C=C1)C=CC=C2)Br)[C@@H]4CCN[C@H]34,CTHGAPKBDNNDPB-COXVUDFISA-N
|
| 20076 |
+
1D6E14481F74A19A_069FF9A9BEE42812_6038_UN,CCC1=C(C=C(C=C1)[S](=O)(=O)O)NC(=O)C#CC2=CC=CS2,WQPFAMUPYLYQHZ-UHFFFAOYSA-N
|
| 20077 |
+
1E4ABB828CE2D6C9_C420FD7655879461_6041_UN,C2(=C1C3=C(COC1=CC=C2)C=CC=C3)NC4=C(CC)C=CC(=C4)[N](=O)=O,UTTVEWDAYFARCN-UHFFFAOYSA-N
|
| 20078 |
+
1E78CB370895AFC7_67AAECC8CE2BD3BB_6035_UN,O([C@H]1CCC[C@@H]1C2=CC=CC=C2)C3=C(C#C[Si](C)(C)C)C=CC=C3,IHTBWPILOJDGEB-IRLDBZIGSA-N
|
| 20079 |
+
1EA05D6EC5B0B9BD_503144BF1EA9AC38_6038_UN,O(C1=CC(=C(C=C1)F)[N](=O)=O)C(C2=CC=C([N]2C)C#N)=O,YMCMJZNXZGXFDZ-UHFFFAOYSA-N
|
| 20080 |
+
202DF28E8D7FF738_B11BF7124C28E720_6039_UN,CC2(C)CN(CC1=CC=CC=C1)CCC2OCC3COCO3,KMGWRTBZHGQTBN-UHFFFAOYSA-N
|
| 20081 |
+
241CF3FFC1048945_884DB4D2F402D86D_6035_UN,O([C@@H]1CCCOC2=C1C=CC=C2)C3=C(C#C[Si](C)(C)C)C=CC=C3,FIQGKLLOTFESKI-OAQYLSRUSA-N
|
| 20082 |
+
246B18E047FEE1CB_4921AF3EDF030684_6029_UN,CC1=CC(=C(C=C1)F)N[S](C2=C(OC)C=CC(=C2)N=C=O)(=O)=O,QTXMJXOARLSZGQ-UHFFFAOYSA-N
|
| 20083 |
+
24A428DFEC0C7C3F_884B069218B79347_6041_DP,COC1(COC1)C2=CC=C(C=C2)NC[C@@H]3CNCC(O3)(C)C,VRMBDOITNBQLER-HNNXBMFYSA-N
|
| 20084 |
+
2964AACA2BD3FA4F_DBAC40B1EE0AA897_6038_DP,NCCCOC(=O)CC2=C1[NH]C3=C(C1=CC=C2)C=CC=C3,WZTMIJOVQVFADP-UHFFFAOYSA-N
|
| 20085 |
+
29869CD7DBF7AFD4_C5F4F6B8431563B0_6038_UN,O(C1=CC(=CC(=C1)F)[N](=O)=O)C(C2=CC=C([N]2C)C#N)=O,IWDMPEQVCVXBPZ-UHFFFAOYSA-N
|
| 20086 |
+
2BF934490A2EC180_8A50B86E1F80199B_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=C(C=C(C=C2)OC3=CC=CC=C3)F,QMUDJDZDQQRKMJ-UHFFFAOYSA-N
|
| 20087 |
+
2CA6117C25FE724B_5475132E28859696_6041_DP,C[Si](C)(C)C#CC1=CC(=CC=C1)NCC2COCCN2,YEYKJFPSYVXYLM-UHFFFAOYSA-N
|
| 20088 |
+
2EAB0BB70F09FE7D_E46F306D98EAF192_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=CC(=NC=C2)OC3=CC=C(C=C3)F,TVVIZWKQVSFDKV-UHFFFAOYSA-N
|
| 20089 |
+
30A79B87F9C90ED5_F9005FC906A68253_6035_UN,NC[C@@H]1NC[C@@H](C1)OC2=CC4=C(C=C2)NC3=C(C=CC=C3)C4=O,AHMFMLLDLBUESM-DGCLKSJQSA-N
|
| 20090 |
+
3101263E67CE920D_775EDAD7DB760D52_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=CC(=NC=C2)OC3=C(C=CC=C3)F,FQPGKKKGCVHSSB-UHFFFAOYSA-N
|
| 20091 |
+
33B94D9F3D51D293_0401AFBB244327D8_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NCC2=CC(=C(C=C2)F)COC3=CC=CC(=C3)OC)[N](=O)=O,FVJKGWLSCRIIFQ-UHFFFAOYSA-N
|
| 20092 |
+
3488AC811C6C4854_C3199D5767F31CBE_6041_UN,COC1=CC(=CC(=C1)NC(C2=CC=CC(=N2)OC)C)[N](=O)=O,ZGIPFYKISHVHCK-UHFFFAOYSA-N
|
| 20093 |
+
3669C6054AB89CEF_456690FE8CABF553_6041_DP,C[Si](C)(C)CC1=C(C=CC=C1)NCCC2CSCCN2,PFESQHVNZDQIHD-UHFFFAOYSA-N
|
| 20094 |
+
36FDDD091B5F7D42_683E5083CDFD629B_6035_UN,CC3(C)[C@H]4CC(OC1=CC(=CC=C1)C2CNCCO2)C[C@@H]34,ZLVCFGDCQJZKFS-HPZPOOBXSA-N
|
| 20095 |
+
3B059BEA95B2F12E_88893E5F4FBE4976_6035_UN,O([C@H]1CCOC2=C1C=CC=C2)C3=C(C#C[Si](C)(C)C)C=CC=C3,IFDHVOMJQUADQG-FQEVSTJZSA-N
|
| 20096 |
+
3CABE4DB1A57C94E_93818798CD92F7E2_6043_UN,C[N]1C(=CC2=C1C=C(C=C2)N[S](=O)(=O)CC3=C(C=CC(=C3)F)Cl)N=C=O,COPQAFPYPFCTNN-UHFFFAOYSA-N
|
| 20097 |
+
3F38484EC3549852_D8B62C0CA5AABDD5_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NCC2(CC2)[N]3N=CC=N3,CROFKATVPBXYTL-UHFFFAOYSA-N
|
| 20098 |
+
3F6D69A18080C764_F157FAA2DC9B4432_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=CN=C(C=C2)OC3=CC=C(C=C3)F,WJFIMPGAQSKGNJ-UHFFFAOYSA-N
|
| 20099 |
+
3FCAC17A80E45A0A_00F0B1C9006A36D6_6041_UN,CC1=C([N](=CC=C1)=O)NC3=CC(=C2OCOCC2=C3)COC,FVFRXRORGMSBMA-UHFFFAOYSA-N
|
| 20100 |
+
4039C47D9508F124_96A333E284D73B12_6041_DP,O=[N](=O)C2=C1OCCC1=CC(=C2)NCC3NCCN(C)C3,IMXHLRPPRCQYFP-UHFFFAOYSA-N
|
| 20101 |
+
4346542A97ADDE05_294B4BC3E0C0087B_6005_UN,NC1=C(C=NC=C1C2=CC=CC3=C2[N](C)C=C3)[N](=O)=O,KNBSTKKNJUVADI-UHFFFAOYSA-N
|
| 20102 |
+
4346542A97ADDE05_7D98F723D7B55B2A_6004_UN,NC1=C(C=NC=C1C2=CC=CC3=C2[N](C)C=C3)[N](=O)=O,KNBSTKKNJUVADI-UHFFFAOYSA-N
|
| 20103 |
+
4408E03FAFB6800A_F53C6085D8EF1320_6031_DP,O(C(=O)CC2=C1[NH]C3=C(C1=CC=C2)C=CC=C3)CC(CN)N,MZRUCUFUIXWTCY-UHFFFAOYSA-N
|
| 20104 |
+
46F162763EC32D19_45D6F277018DE8B8_6043_UN,CC1=C(C=C(C=C1)N[S](=O)(=O)C2=C(C=C(C=C2)F)[N](=O)=O)N=C=O,IGGPSYHEZLOPTQ-UHFFFAOYSA-N
|
| 20105 |
+
4924A5624B550862_361C2FC525B6EBD0_6041_UN,COC1=C(C=C(C(=C1)C)[N](=O)=O)NCC2=CC=CC(=C2)CC,NTDCVRMNVCKMKB-UHFFFAOYSA-N
|
| 20106 |
+
4B81FD291323EC4A_86405E35F2A7A3B2_6029_UN,CC1=CC(=CC=C1)OC2=C(C=CC=C2)CN[S](C3=C(C=CC(=C3O)[N](=O)=O)F)(=O)=O,FGQIPAUMVLTGIX-UHFFFAOYSA-N
|
| 20107 |
+
4C42A96E93EF5F0D_6A379CE2CAE4CBB4_6041_DP,COC1(COC1)C2=CC=C(C=C2)NC[C@@H]3CC(CN3)(C)C,AHEHGZCTLQROMM-HNNXBMFYSA-N
|
| 20108 |
+
5005393D55AF1A3A_1DA07C4A473CBECA_6043_UN,CC1=C(C=C(C=C1)N[S](C2=CC(=CC(=C2)OC)F)(=O)=O)N=C=O,MFMAHCDTGRTKCP-UHFFFAOYSA-N
|
| 20109 |
+
5039BC9DB6C45170_8348459038B41D8A_6038_UN,O(C1=CC(=CC(=C1)F)[N](=O)=O)C(C2=CC(=CC(=N2)C)C#N)=O,QERSIBRWJBCPSC-UHFFFAOYSA-N
|
| 20110 |
+
5135399F2C8AD828_AAD487F6B8E64265_7022_UN,C1(=CC2=C(C=C1)C=CC=C2)OC(C)(CC3CO3)C4CC4,LDXSVLXROQLKAW-UHFFFAOYSA-N
|
| 20111 |
+
51F5664BFA1A664F_7E094FD51DCF8B03_6043_UN,C[N]1C(=CC2=C1C=C(C=C2)N[S](=O)(=O)CC3=C(C=CC(=C3)Cl)F)N=C=O,PCMIKRUHPURGNW-UHFFFAOYSA-N
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| 20112 |
+
52DB8B2E7B472725_FEACB35180D43257_6031_DP,N1CCC(C1)C(N)C(=O)OCC2OC2C3=CC=CC=C3,QOZXPBWRFLMSDD-UHFFFAOYSA-N
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| 20113 |
+
59C0F454AFD1EA1E_8F52F6E7BBCF1B29_6039_UN,CC3(C)[C@H]4CC(OCC2CCC1(CCOCC1)O2)C[C@@H]34,HBRRHAPBPUHZHL-ZMYVRHLSSA-N
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| 20114 |
+
59D41917D2E8BBFF_ACE68387F2B00D09_6041_UN,O[S](=O)(=O)C1=C(C=CC(=C1)N=[N]#N)NCC2=NC(=CC=C2)OC3=CC=C(C=C3)F,BOGLUNJOYMNIEV-UHFFFAOYSA-N
|
| 20115 |
+
5F80A0CF72E88CD7_5775D106713FD32E_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2(CCCC2)C3=NC=CS3,TVMZSVANKCVUOC-UHFFFAOYSA-N
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| 20116 |
+
61D8F18E8D798F49_D42FF90266A08E77_6029_UN,CC1=C(C=CC=C1)OC2=C(C=CC=C2)CN[S](C3=C(C=CC(=C3O)[N](=O)=O)F)(=O)=O,OQOXCZXWQXRUIC-UHFFFAOYSA-N
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| 20117 |
+
6408B2F9293D2AC2_7637F0D6AD53F11B_6038_DP,N1CCOCC1CNC(=O)C(=O)C2=C[NH]C3=C2C=CC(=C3)F,MDZHNYCPGQNKRL-UHFFFAOYSA-N
|
| 20118 |
+
65CF6D24A1F10A6C_13F29003CF9A8E48_6035_UN,CCCC[C@@H](OC1=CC=C(C=C1)C2SCCCS2)C3=CC=CC=C3,QWDLJEZOVKPQFH-HXUWFJFHSA-N
|
| 20119 |
+
6681B6C0B823884D_6F8202A31B2971CD_6004_UN,NCC1=C(C=C(C=C1)C3=C2[NH]C=CC2=CC=C3)[N](=O)=O,JUZFZDJNCCJKHR-UHFFFAOYSA-N
|
| 20120 |
+
6769149320207293_256C65CCBC129ADB_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC4=C(C=C2)OC3(CCCCC3)O4,IHARETFCNLKZKQ-UHFFFAOYSA-N
|
| 20121 |
+
6AFA17DB628A96AE_B264DF15BC1B4816_6041_UN,C[Si](C)(C)CC1=C(C=CC=C1)NC2=CC4=C(C=C2)OC3(CCCC3)O4,LRFGWVJMBJBRLG-UHFFFAOYSA-N
|
| 20122 |
+
7014DE39CA8CCC51_F42AEF3B92A38975_6038_UN,COC(CNC(=O)C1COC2COCC12)C3=CC=C(C=C3)F,TUWSJQRSDOWCOP-UHFFFAOYSA-N
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| 20123 |
+
714444757F01EE69_8C98E3E8398AD2D5_6041_UN,CC1=C(C=CC=C1NC(C2=CC(=NS2)OC)C)[N](=O)=O,MCYRHRWQIGXFTO-UHFFFAOYSA-N
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| 20124 |
+
714444757F01EE69_9AE927B685AC64AF_6041_UN,CC1=C(C=CC=C1NC(C2=CC(=NS2)OC)C)[N](=O)=O,MCYRHRWQIGXFTO-UHFFFAOYSA-N
|
| 20125 |
+
714444757F01EE69_FA4648061FA8536A_6041_UN,CC1=C(C=CC=C1NC(C2=CC(=NS2)OC)C)[N](=O)=O,MCYRHRWQIGXFTO-UHFFFAOYSA-N
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