Added 137 molecules from epoch 15625 for P23975
Browse files- P23975_molecules.csv +137 -0
P23975_molecules.csv
CHANGED
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@@ -21745,3 +21745,140 @@ FBA7C8612B261E3C_7B0417CE116F5F1E_6009_UN,CC(C)(C)C1CCC(=CC1)C(C2(CO)CCOCC2)C,CT
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| 21745 |
FC8D6F1B79C21648_BE2ACF81E6679029_6038_DP,N(CC1=CC(=O)NN1)C(C2C3=C(OCCN2)C=CC=C3)=O,REFZSBSUNPWFEH-UHFFFAOYSA-N
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| 21746 |
FC8E2B2A69A5E004_0159BEDFFAC477FD_6029_UN,N(CC1=C(C=CC(=C1)Cl)O)[S](C2=CC=CC(=C2F)N=[N]#N)(=O)=O,GKCHQGFRXKXUCB-UHFFFAOYSA-N
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| 21747 |
FEBF256C4F9C7415_49B6EA2FB3548B49_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NC3C4(C(N(C)C)C3)CCC4,LHGLKFTXQKUPNZ-UHFFFAOYSA-N
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| 21745 |
FC8D6F1B79C21648_BE2ACF81E6679029_6038_DP,N(CC1=CC(=O)NN1)C(C2C3=C(OCCN2)C=CC=C3)=O,REFZSBSUNPWFEH-UHFFFAOYSA-N
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| 21746 |
FC8E2B2A69A5E004_0159BEDFFAC477FD_6029_UN,N(CC1=C(C=CC(=C1)Cl)O)[S](C2=CC=CC(=C2F)N=[N]#N)(=O)=O,GKCHQGFRXKXUCB-UHFFFAOYSA-N
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| 21747 |
FEBF256C4F9C7415_49B6EA2FB3548B49_6041_UN,FC1=CC2=C(C=C1)C=C([NH]2)NC3C4(C(N(C)C)C3)CCC4,LHGLKFTXQKUPNZ-UHFFFAOYSA-N
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| 21748 |
+
033F27B6DECAB3D6_BB61112752078E8C_6041_UN,C[N]1C(=NC2=C1C=C(C=C2)F)NC(CC3CCCC3)CC4CCCC4,MCBYBGVCIQQFBI-UHFFFAOYSA-N
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| 21749 |
+
05092BE9473EB9EF_43F1E1F72563C8F4_7009_UN,CC1=CC(=CC(=C1)C)[S](=O)(=O)NC(C2=C(C)C(=CC=C2[N](=O)=O)F)=O,HTSAYQVYXRQBPF-UHFFFAOYSA-N
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| 21750 |
+
07E5CA53BC3140C4_EA8BA4D815D0F940_6035_UN,O(C[C@H]1[C@@H](CNC1)C2CCOCC2)C3=C(N)C=CC=C3Cl,GHIQDMXIWUNIQS-STQMWFEESA-N
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| 21751 |
+
0AA6670FD049DCC2_82F4C215E233EF67_7018_UN,CC1=CC=C(C=C1)[S](=O)(=O)N(Cl)C(C2=C(C=CC(=C2)[N](=O)=O)Br)=O,ZYHPJVNHWBGLQU-UHFFFAOYSA-N
|
| 21752 |
+
1094417AAE0EBEF7_628ADD15688367F2_6041_UN,FC1=C(C=CC=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,QGBDNGLHIBOEJP-KUHUBIRLSA-N
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| 21753 |
+
1094417AAE0EBEF7_C280195BCCBAFDEF_6041_UN,FC1=C(C=CC=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,QGBDNGLHIBOEJP-KUHUBIRLSA-N
|
| 21754 |
+
1094417AAE0EBEF7_C69D0BCB89962A4A_6041_UN,FC1=C(C=CC=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,QGBDNGLHIBOEJP-KUHUBIRLSA-N
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| 21755 |
+
124C5889A04135A4_A7BF0C537F6948D9_7022_UN,CC1=CC2=C(C=C1)C=C(S2)OC4(CC3CO3)CCCCC4,XGFKZHUTKKAWMR-UHFFFAOYSA-N
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| 21756 |
+
1435FDC3F3D96022_3D834513109BA492_6038_UN,CC(C)N[S](=O)(=O)CCOC(COC1=C(CC)C=CC=C1)=O,AEXHGZAFRDDNMT-UHFFFAOYSA-N
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| 21757 |
+
1C3CAFE167023732_8FDDFF808FFC3B41_6038_UN,CC1=C(C=CS1)CNC(=O)C3=CC(=C2OCOC2=C3)[N](=O)=O,QKYODSKHKANNFO-UHFFFAOYSA-N
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| 21758 |
+
20D4CC4ED8D79917_049CCE5F12399EFA_6041_UN,FC1=C(SC=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,NBZNSQDOLFTNFY-WBMJQRKESA-N
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| 21759 |
+
213CB1D2C55DECEA_244C20C650CA86CB_6035_DP,N4CCC[C@@H](OC1=CC3=C(C(=C1)C2=CC=C(C=C2)Br)OC(=O)S3)C4,QAVWRLXTBVRQJF-CYBMUJFWSA-N
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| 21760 |
+
246F30C8C7F88A28_BE2B59E882ED9EBA_6041_UN,C[N]1N=C(C=C1NCC2OC3=C(CC2)C=C(C=C3)F)C4CCCC4,JFLKZRUUNDQVJT-UHFFFAOYSA-N
|
| 21761 |
+
25113309866099E3_D206A9F50A68BA22_7009_UN,N([S](=O)(=O)CCC1=CC=CS1)C(=O)CN3C(=C)C2=C(C=CC=C2)C3=O,SGUWJJBMGSPYMF-UHFFFAOYSA-N
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| 21762 |
+
284703E8C88AA8BC_91DE615ED924AF3B_6038_DP,N2CCCOC(CNC(=O)C1=CC(=CC=C1)C=C(F)F)C2,IUPZXFJYOWRVQH-UHFFFAOYSA-N
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| 21763 |
+
2B93D03DEF0A52E5_0D59694CC50821FD_7009_UN,N([S](=O)(=O)C1(CC1)C=C)C(=O)C(=O)C2=C(C=C(C=C2)F)F,YCNYGUCIKXETHS-UHFFFAOYSA-N
|
| 21764 |
+
2B999C8065B950F0_0B738646D852EE85_6038_UN,CC2(CCCCNC(C1(COC)CC=CC1)=O)OCCO2,KZRXGPCCHQRPJM-UHFFFAOYSA-N
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| 21765 |
+
2D5A8CFA41C05355_BBF764EC978BAEC1_6034_UN,FC1=CC2=C(C=C1)C=CN2C[C@@H]4[C@@H](C3=CN=C[N]3C)N(CCC4)C5CC5,CUOIPQHSVGUBCF-IERDGZPVSA-N
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| 21766 |
+
2E784DB071B3F949_FC27C7FB1E0EDCEC_6029_UN,CC1=NC(=CS1)C2=C[N](C=C2)[S](C3=C(C=CC(=C3)[N](=O)=O)Cl)(=O)=O,IPFDTHWXLGUQDK-UHFFFAOYSA-N
|
| 21767 |
+
2F1B701B31DA564E_97A20D683867862F_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC(=CC=C3)Br,CTSFUWVRMVYPFP-UHFFFAOYSA-N
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| 21768 |
+
31D736B80F1B658A_AF2CEE59E63914A8_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C(=O)CCC2=CC=C(C=C2)Cl,VFJGSHXHHCRXBP-UHFFFAOYSA-N
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| 21769 |
+
3394CD11DA9FDA78_2211C8CF8092D0FA_7009_DP,NC1=CC=C(C=C1)[S](=O)(=O)NC(=O)CC(C2=CC=CS2)[N]3C=CC=C3,PXPHIAVJLCRERW-UHFFFAOYSA-N
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| 21770 |
+
3560D50F99B34460_3593C9D056EE85BA_6041_UN,C[N]1N=C(C=C1NC2(CCOCC2)CC3=CC=C(C=C3)F)C4CCCC4,YAZLHRAGEQDMKI-UHFFFAOYSA-N
|
| 21771 |
+
392F960991DB0164_C788E8E8A45A0771_6035_DP,N4CCC[C@@H](OC1=CC3=C(C(=C1)C2=CC=C(C=C2)F)OC(=O)S3)C4,VNABFYALRHZDSJ-CYBMUJFWSA-N
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| 21772 |
+
395CC172E612CECC_4D0FBF3BEAAC240C_6029_UN,N([S](=O)(=O)C1=C(C=CC(=C1)Cl)O)[S](C2=C(C)C=CC=C2N=[N]#N)(=O)=O,XHNRAEDFRPHZMI-UHFFFAOYSA-N
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| 21773 |
+
3BAA1DA629EBB7D9_7E3232FCA5B7FBE6_6029_UN,CC1=C(C=CC=C1)CN[S](C2=CC=C([N](=O)=O)S2)(=O)=O,MBPILWSSFQYHKA-UHFFFAOYSA-N
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| 21774 |
+
3F1F1DF5304F8B24_63EF151B9FC86EF4_6041_UN,FC1=CC(=CN=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,MVHKGRHTUSKZHF-ACJLOTCBSA-N
|
| 21775 |
+
3F1F1DF5304F8B24_BD0D444786E60DF3_6041_UN,FC1=CC(=CN=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,MVHKGRHTUSKZHF-ACJLOTCBSA-N
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| 21776 |
+
403E367AD7EE5010_2702680C387604E7_6043_UN,CSC1=C(C=C(C=C1)N[S](=O)(=O)C2=CC(=C(C=C2)O)[N](=O)=O)C#N,GNQFCMLYMNJTJF-UHFFFAOYSA-N
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| 21777 |
+
40D69D35BC1A23EA_9C4E0D5B8848075C_6038_UN,N(C2C1C3CC4C1CC5C2C3C45)C(C6(N(C)C)CCC6)=O,YGJRXPPDGJMDHX-UHFFFAOYSA-N
|
| 21778 |
+
435A817EFA678BCB_630F018B9CC198AA_6038_UN,S(C1=CC2=C(C=C1)C=CC=C2)C(=O)C3=NOC4=C3COCC4,DHECCOWAHJRFFO-UHFFFAOYSA-N
|
| 21779 |
+
43805EEEDF1BBEC0_7ABAB8E59C9E53B4_6041_UN,CC2=C1C=CC=CC1=C(C=C2[N](=O)=O)NCCC3OC4=C(OC3)C=CC=C4,TVSFZETXZNRNGP-UHFFFAOYSA-N
|
| 21780 |
+
43A7B3FCFB718A87_D788BF3EF47656F3_6039_UN,CC(C)CN2CCOC(COCC(OC)C1CCOC1)C2,OXUPLNISVSTGAB-UHFFFAOYSA-N
|
| 21781 |
+
43D8B08930F5D895_FFB0EDD4140408B5_6041_UN,C[N]1N=C(C=C1NC2(COC2)C3=C(C=CC=C3)F)C4CCCC4,ASKVBALJMJUYMG-UHFFFAOYSA-N
|
| 21782 |
+
48DFE8BC1EE73C63_F73CD1C281E6FE63_6039_UN,CC2=C1OCC[C@@H](C1=CC=C2)OCC3=C(ON=C3C)C4CC4,LTPUNTKSCLEXRB-INIZCTEOSA-N
|
| 21783 |
+
4C0B8A49190C2E14_7658D4B4E763D1FC_7022_UN,CC1=CC2=C(C=C1)C=C(S2)OC4(CC3CO3)CCCC4,ZWDHJHISMAOSHS-UHFFFAOYSA-N
|
| 21784 |
+
4D78196F7EC0B2E9_2D19A331528E61CC_6041_UN,FC2=C(C=C1C=COC1=C2)NC[C@@H]4[C@@H](C3=CN=C[N]3C)N(CCC4)C5CC5,QUNCSWHYVQCICS-VFNWGFHPSA-N
|
| 21785 |
+
4F5D263BDC062BBB_0A001F305F95F6F3_6039_UN,O(C1CCOC(C1)C2CCOC2)CC3OCC4CCOC34,LNUWYWPGJNKDRG-UHFFFAOYSA-N
|
| 21786 |
+
50D24D6A02532963_91AE58D897C97A43_6026_UN,CC1=C(C(=C(C=C1)[N](=O)=O)C)[S](=O)(=O)N(C)C2=CSC=C2,PZDDATDCJCPTNB-UHFFFAOYSA-N
|
| 21787 |
+
5160892425C2381D_3FC438ED15C556E4_6041_UN,C[N]1N=C(C=C1N[C@H]2C3=C(OCC2)C(=CC=C3)F)C4CCCC4,PYYBCMWZRRQKQM-OAHLLOKOSA-N
|
| 21788 |
+
54085902CF2018C8_8F30C69861E040C1_6035_UN,CC2=C1OCC[C@@H](C1=CC=C2)OC3=C(C=C(C=C3)Cl)C4CCCCC4,RBTJTKAWEYKRPV-NRFANRHFSA-N
|
| 21789 |
+
5854840572DD96A0_16469F5859974BAA_6035_DP,N4CC[C@@H](OC1=CC3=C(C(=C1)C2=CC=C(C=C2)F)OC(=O)S3)C4,NBBXGPHBMFRYLU-GFCCVEGCSA-N
|
| 21790 |
+
58A105C6CC87271B_2A5BF2BAF5AF76D9_6041_UN,CC1=NC2=C(C=C1)C=CC(=C2F)NC(C3CCC3)C4CCC4,ZEYUGNFKHVUCRJ-UHFFFAOYSA-N
|
| 21791 |
+
59163AD3F541546B_7F94F6B4AE49E10C_6039_UN,COC(COCCCN1CCOCC1)C2CCOCC2,HKABVNZZPPBZIU-UHFFFAOYSA-N
|
| 21792 |
+
59163AD3F541546B_BABED3AD361F525A_6039_UN,COC(COCCCN1CCOCC1)C2CCOCC2,HKABVNZZPPBZIU-UHFFFAOYSA-N
|
| 21793 |
+
5D4EBA29EA83AB6A_1D04114426E92A6E_6026_DP,CC1=C(C(=CC(=C1)[N](=O)=O)C)[S](=O)(=O)NC2=C(O)C=CC=C2,GOADJGOAWSPKCW-UHFFFAOYSA-N
|
| 21794 |
+
604156C50A465DE2_2602BE5751CCD7E5_6031_UN,CSCCC1NC(CS1)C(=O)OCC(C)N2CCOCC2,DROIZWOETZJLQZ-UHFFFAOYSA-N
|
| 21795 |
+
6272B181382486E9_0D06AA501F5A2018_6034_UN,ClC2=C1N(C=C(C1=CC=C2)Br)C[C@@H]4[C@@H](C3=CN=C[N]3C)N(CCC4)C5CC5,JAUOICLITBGIHY-VLIAUNLRSA-N
|
| 21796 |
+
6368D80F933C89ED_0866D0A2007B2CA0_7019_UN,C[N]1N=NN=C1CC=CC3=C2OCCC2=CC4=C3CCO4,GVOUZCJWFCFKES-UHFFFAOYSA-N
|
| 21797 |
+
63771BAF3D4BF8C8_3E1CD1220D37C487_6041_DP,CN1CCC2=C1C=CC(=C2)NCC4=C(C3CNC3)OC=N4,TYDKIGFYAGYCIO-UHFFFAOYSA-N
|
| 21798 |
+
6B80B915409F6ADF_47F3FCBF77E441DD_6039_UN,COC1=C(C=CC=C1)CC(C)OCC2=NO[C@@H]3COC[C@H]23,OCUTXGUJZJBDCN-ZUZSALNQSA-N
|
| 21799 |
+
6DFB169E3AD8E387_168301D942C79950_7009_UN,N([S](=O)(=O)C1(CC=C)CC1)C(=O)C(=O)CC2=CC(=CC=C2)Br,CSQZYQHPUOXLDU-UHFFFAOYSA-N
|
| 21800 |
+
72F231D346F69DA7_36FD43E7D88EDD65_7022_UN,C2(=CC1=C(C(=CC=C1)Cl)S2)OC3(C)CCCCC34CCCCC4,OOCHLWHYCFSTBY-UHFFFAOYSA-N
|
| 21801 |
+
730D020579CB11E8_FF0D01626D316D1A_6031_UN,O(C(=O)C1(CCC1)C2=CCNCC2)CC3=CC(=CC=C3)I,FGONYWVZWGONEU-UHFFFAOYSA-N
|
| 21802 |
+
73706E7F591488A4_9FB35F9F502F22AB_6029_UN,CC1=C(C(=CC=C1)C)[S](=O)(=O)N[S](C2=CC=C([N](=O)=O)C=C2)(=O)=O,YZCFYJSAOVFMSP-UHFFFAOYSA-N
|
| 21803 |
+
764AA014CA3BA3F0_0849CA01E050ACB8_6031_DP,O(C(=O)C1(CC1)C2=CC=C(C=C2)Br)CC3CNCCNC3,OIMWRJIFWAPBKK-UHFFFAOYSA-N
|
| 21804 |
+
76D9ADC815AE07EF_3CC0F733DE9895A1_7009_UN,CC1=C(C(=CC=C1)Cl)[S](=O)(=O)NC(C2=CC=CC(=C2C)[S](=O)(=O)Cl)=O,RDYOMFVPNOGGQD-UHFFFAOYSA-N
|
| 21805 |
+
77EF6912A0236C88_A237F8A05946FE7D_6041_UN,FC1=CSC(=C1)NC[C@@H]3[C@@H](C2=CN=C[N]2C)N(CCC3)C4CC4,ICBZYGZVEXGRBR-PXAZEXFGSA-N
|
| 21806 |
+
7C343A9E69CA592F_C3900C22AE057711_7022_UN,C1(=C(C2=C(C=C1)OCO2)F)OC3(CSC(C)C)CCCCC3,AXZQREMDSLYTHH-UHFFFAOYSA-N
|
| 21807 |
+
7C50F28E92BFD3A3_99CBF024EBBA49D6_6029_UN,CC1=CC=C(C=C1)OC2=C(C=CC=C2)N[S](C3=C[NH]C(=C3)[N](=O)=O)(=O)=O,FEAOOZFKPQYDKZ-UHFFFAOYSA-N
|
| 21808 |
+
7CE759FEB29440BD_6C82F3A9111FB43C_6041_UN,C[N]1N=C(C=C1NC2C3=C(OCCC2)C(=CC=C3)F)C4CCCC4,JJMRHYNLOKYYKI-UHFFFAOYSA-N
|
| 21809 |
+
8015EAD5E6E4C5B7_25AF842A9BB8AB24_7019_UN,C[N]1C(=CN=N1)C=CC3=C2OCCC2=CC4=C3CCO4,OGLMYYZBTKRIFL-UHFFFAOYSA-N
|
| 21810 |
+
821138F1B5B95566_8C1CCE2AAD0C8865_6034_UN,FC2=C1N(C=CC1=CC=C2Cl)C[C@@H]4[C@@H](C3=CN=C[N]3C)N(CCC4)C5CC5,DGWSTLLGTQGARA-QRWLVFNGSA-N
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