urdof7 commited on
Commit
929eaf2
·
verified ·
1 Parent(s): 1f0ba0e

Added 241 molecules from epoch 16748 for P31645

Browse files
Files changed (1) hide show
  1. P31645_molecules.csv +241 -0
P31645_molecules.csv CHANGED
@@ -42695,3 +42695,244 @@ rxn:2:86746:81260,C1CC(OCC2CCC(CNC3CCOC4CC34)O2)CCO1,FURKVLLJMQWNGZ-UHFFFAOYSA-N
42695
  rxn:2:91877:117872,CN1[C@@H]2COC[C@H]1CC(Nc1ccc(C34CCC(F)(CC3)CC4)cc1)C2,RLJQLNGOJUPMFB-XFPYLNFSSA-N
42696
  rxn:2:92710:90982,FC12CCCC(CC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)C1)C2,SAMOBVKIYADZLS-UHFFFAOYSA-N
42697
  rxn:2:93299:128428,CN1C[C@@H]2OCC(NC3C[C@H]4C[C@@H]5C[C@H](C4)C[C@H]3C5)CO[C@H]2C1,KOUJDAHUZWPQCD-XTWJXFJJSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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42696
  rxn:2:92710:90982,FC12CCCC(CC(Nc3ccc(N4CCC5(CCCCC5)CC4)cc3)C1)C2,SAMOBVKIYADZLS-UHFFFAOYSA-N
42697
  rxn:2:93299:128428,CN1C[C@@H]2OCC(NC3C[C@H]4C[C@@H]5C[C@H](C4)C[C@H]3C5)CO[C@H]2C1,KOUJDAHUZWPQCD-XTWJXFJJSA-N
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+ D853C91AF83CC818_A45FEA024D79F767_6041_UN,C1(=CC2=C(C=C1)OCCO2)NC3=CC=CC(=C3)N(C)C,UOJITKHGVXRDIM-UHFFFAOYSA-N
42866
+ E08DA59ACEC84C33_6BE9ABEEF3622EEF_6026_UN,COC1=C(C=C(C(=C1)C)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC)Cl,QZDFDQLILUYMHV-UHFFFAOYSA-N
42867
+ E0AE616CC9BAE206_D5117DCAFC846DD4_6026_UN,CCCC1=CC=C(S1)[S](=O)(=O)NCC2=CC(=NC=C2)C#N,MLUJDYVUBDITGN-UHFFFAOYSA-N
42868
+ E0C31DB3F1C27818_546FEF51876C9A67_6043_UN,FC1=CC(=C(C=C1)C=C)N[S](C2=CC(=C(OC)C=C2)OC)(=O)=O,MPZWQAHOSZAIHY-UHFFFAOYSA-N
42869
+ E0C8B36013FE7448_5D289B8E7150E70B_6034_DP,BrC1=CC=C(C=C1)N2C=CN(C2=O)CC45OC3(CNC3)C(C4)(N)C5,NVSYMEYVSMUYRN-UHFFFAOYSA-N
42870
+ E3EE4FC7F95CD3FA_1DA44BE058D02FBD_6041_UN,C1(=CC2=C(C=C1)OCCC2)NCC3(N(C)C)CCOCC3,JZXMDKNDTJLWER-UHFFFAOYSA-N
42871
+ E3EE4FC7F95CD3FA_C0E5101E6AE41B16_7022_UN,C1(=CC2=C(C=C1)OCCC2)NCC3(N(C)C)CCOCC3,JZXMDKNDTJLWER-UHFFFAOYSA-N
42872
+ E658088905CF1D79_4A5F9D8B7C281539_6041_DP,C[N]1N=CC2=C1C=C(C=C2)NC3CNCC34CCOCC4,ZPQMOZNFEQHAJQ-UHFFFAOYSA-N
42873
+ E7FF18CC78CD5D0C_15836CB5D8AC7E79_7022_DP,CN(C)CC1=C(C=C(C=C1)NC2CNCC3(C2)CC3)F,LDZOANZGTBDWAQ-UHFFFAOYSA-N
42874
+ EAFEACCDE487BA35_6175CEF36936AC89_6039_UN,CC(=C)[C@H]1CCC(=CC1)COCC3COC2(CCCCC2)O3,MLNPYNTUIGQXRV-QNSVNVJESA-N
42875
+ EDED6F41B778DDCA_5A492106F17F330F_7022_DP,CN(C)CC1=C(C=C(C=C1)NCC3CC2(CNC2)C3)F,ZAULYYFXAGOWFB-UHFFFAOYSA-N
42876
+ EE9B6113DECAE629_3939C794B1B459F5_6029_UN,COC1=C(C=C(C(=C1)F)CN[S](C2=C(C=CC(=C2)OC)CBr)(=O)=O)OC,SYSPKPCQIZZPDA-UHFFFAOYSA-N
42877
+ EEA38ADBB328178B_C5475E3F1E5A3644_6026_UN,CCC1=C(C=CC(=C1)[S](=O)(=O)NCCC2=C(C=C(OC)C=C2)OC)Br,FJCGAZQYABGJLZ-UHFFFAOYSA-N
42878
+ F00A759CCA106CB3_D905D8C4723B3D55_6034_DP,COC2=C1C=C[N](C1=CC=C2)CC45OC3(CCNCC3)C(C4)(N)C5,YWRVEDLPUDQESX-UHFFFAOYSA-N
42879
+ F26093D99BAF8CCA_86DDD754D07D4F23_6035_DP,N1CC3(C1)OC4(COC2=CC(=C(C)C=C2)Cl)CC3(N)C4,NNMQZPQVEMOVKF-UHFFFAOYSA-N
42880
+ F34A4B03D42F0DA1_CDA9A16C0941FF89_6028_UN,COC1=CC(=C(C(=C1)OC)CN[S](C2=C(C=CC(=C2)Cl)Br)(=O)=O)OC,ZHFZJQXLKXNFKY-UHFFFAOYSA-N
42881
+ F3DE7CB6C658288A_48D68FB457FB5D0A_6026_UN,FC1(F)CC1C2=C(C=CC=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)C,PFYDBBZZYJIAJL-UHFFFAOYSA-N
42882
+ F42CCEF8B41C895B_52023E8CE39FF913_6026_DP,[NH]1C(=CC2=C1C=CC=C2)[S](=O)(=O)NCC3=CC(=CC(=C3)OC)F,LZLBMORARJIUJE-UHFFFAOYSA-N
42883
+ F571516DF4B94C8E_A679167EBD0CB7F1_6041_UN,COC1=CC2=C(C=C1)C=C(N=C2)NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,ZQFHNWQWSBOADE-UHFFFAOYSA-N
42884
+ F5BC668336F9CB39_3FF209DABED78651_6026_UN,FC1(F)CC1C2=CC=C(C=C2)[S](=O)(=O)NC3=C(C=CC(=C3)OC)Cl,TZVHWVHAEUSGGA-UHFFFAOYSA-N
42885
+ F5FE07AD0D9DFF76_0AA900E4F8CDF073_6041_UN,O=[N](=O)C2=C(C=C1OCCOC1=C2)NC3=CC=CC(=C3)CN(C)C,ZOPLSWJCOZXPSS-UHFFFAOYSA-N
42886
+ F6B70B298B8BBF13_31D8018C07C3EE04_6026_UN,COCC1=CC=C(C=C1)[S](=O)(=O)NC2=C(C=C(OC)C=C2)C(F)(F)F,KLHZENNKMOOZJS-UHFFFAOYSA-N
42887
+ F87F108504A32928_8192AF46AF44089A_6041_UN,C1(=CC(=CC=C1)C2OCCCO2)NC3=C(N(C)C)C=CC=C3,PQOOOCRRYCTUJP-UHFFFAOYSA-N
42888
+ FBF9010522145C8C_C59F7CF91BD1CD78_6035_UN,CN(C)[C@@H]1CNC[C@H]1OC2=CC4=C(C=C2)OC3(CCCC3)O4,ZWFBYUJBSIZBAC-CZUORRHYSA-N
42889
+ FDFE785208E41D78_1CEB358E663FB322_6041_UN,COC2=C1C=NC=CC1=CC=C2NC4=C(C=C3OCCCOC3=C4)[N](=O)=O,JXZOZDOKKBEHAK-UHFFFAOYSA-N
42890
+ rxn:2:100869:141384,CN(C)CC1(CNC2CCCC(N(C)C)C2)CCCC1,FNPBNIMLFBVZHZ-UHFFFAOYSA-N
42891
+ rxn:2:102829:138688,CN(C)C[C@@H]1COC[C@H]1NC1CC2CC1C1CCCC21,UVMBSTJQIXVFQZ-DYCMPXMBSA-N
42892
+ rxn:2:105859:126065,CN(CCNC1CCC(F)C2CCC12)CC1CCOCO1,SFGREPJSMOXTSL-UHFFFAOYSA-N
42893
+ rxn:2:106465:120189,CCCCC1CC(N[C@H]2CCC[C@@H]2N(C)C)C12CCC2,JCUZRGRIIZPRSO-YZUHTNEWSA-N
42894
+ rxn:2:106465:138252,CCN(C)C1CCCCCC1N[C@H]1CCC[C@@H]1N(C)C,JAKQNWXMVYHZMX-SOEBMCCKSA-N
42895
+ rxn:2:109503:132904,CN(C)CCCN1CCC(NC2CCO2)C2CCCCC21,VPYUBISZHAETDI-UHFFFAOYSA-N
42896
+ rxn:2:111089:135101,CN(C)CC1CCCC(N[C@H]2CCCC[C@@H]2N(C)C)C1,TXDWYMVOXLNAIF-GQGLESIBSA-N
42897
+ rxn:2:116028:120820,C[C@H]1C[C@H](NC2CCCCCC2CN(C)CC2CC2)CN1C,PLYQVRPYTAISOP-BARLLCKDSA-N
42898
+ rxn:2:117113:135101,CN(C)CC1CCCCC1N[C@H]1CCCC[C@@H]1N(C)C,YKXBMHVPYVJMKP-GQGLESIBSA-N
42899
+ rxn:2:118222:138252,CCN(C)C1CCCCCC1Nc1cc(C2CCCCCC2)nn1C,FPDWNDYFCDOVIV-UHFFFAOYSA-N
42900
+ rxn:2:118683:131521,CC1CN(CCNC2CCCCC2C2COC2)CC(C)N1C,VOXISNSTNSWPGY-UHFFFAOYSA-N
42901
+ rxn:2:119746:138382,CC1CC(NCCCN2CCOCC3CCCC32)CCN1C,QIHSKPVXTKBUAO-UHFFFAOYSA-N
42902
+ rxn:2:123455:141471,CC1CCCC(CNCCN2CC3COCC3C2)N1C,JUXSISGLVJOPTP-UHFFFAOYSA-N
42903
+ rxn:2:124110:140330,CN1CC[C@H](N(C)CCNC2CCSC3(COC3)C2)C1,CNUGYLLEHTWJPK-KZUDCZAMSA-N
42904
+ rxn:2:126228:131521,CC1CN(CCNC2CCC(C3COC3)CC2)CC(C)N1C,QCBUYOJHWGLRJJ-UHFFFAOYSA-N
42905
+ rxn:2:132904:140566,CN(C)CCCN1CCC(NC2CCCCO2)C2CCCCC21,RJJVNLOBHAFSTN-UHFFFAOYSA-N
42906
+ rxn:2:135101:132988,CN(C)C1CCCC(N[C@H]2CCCC[C@@H]2N(C)C)CC1,BPWHOWFTOOXFQA-GQGLESIBSA-N
42907
+ rxn:2:138252:135101,CCN(C)C1CCCCCC1N[C@H]1CCCC[C@@H]1N(C)C,GUQKXEQJPBXGMM-NALMEZQBSA-N
42908
+ rxn:2:67358:86382,CN(C)C[C@@H](NC1CCCCC1N(C)C)C1CCCCC1,FTYPEWBRNRFIJZ-LXPRWKDFSA-N
42909
+ rxn:2:69267:131521,CC1CN(CCNC2CCOC3(CCCC3)C2)CC(C)N1C,LXKJOANHZAPJOA-UHFFFAOYSA-N
42910
+ rxn:2:69351:88365,CC1CCCCC1N(C)CCCNC1CCOCC12CC2,ZKSAJQSETNJWSJ-UHFFFAOYSA-N
42911
+ rxn:2:70216:103805,CN(CCNC1CC2CCCC1N2C)C1CCCCCC1,PTVRONQXTHZGJF-UHFFFAOYSA-N
42912
+ rxn:2:71821:132904,CN(C)CCCN1CCC(NC2CCCO2)C2CCCCC21,CMUMGZVXLKXZGU-UHFFFAOYSA-N
42913
+ rxn:2:72920:135101,CN(C)C[C@@H]1CCCCC1N[C@H]1CCCC[C@@H]1N(C)C,YKXBMHVPYVJMKP-VCAIXKDPSA-N
42914
+ rxn:2:75326:101707,CN1CCC[C@H](N(C)CCNC2CCSC3(CCC3)C2)C1,LLZDCRKGLQCQQR-LYKKTTPLSA-N
42915
+ rxn:2:77056:131105,CN(C)C[C@@H]1CCC[C@@H]1NC1CCN(C)C2CCCCC12,QRZQDMSIFOITRF-DVCYZQMISA-N
42916
+ rxn:2:77056:138252,CCN(C)C1CCCCCC1N[C@H]1CCC[C@H]1CN(C)C,SJWQMXZJIOALMN-VYMRPNJYSA-N
42917
+ rxn:2:81805:110292,CCC(CN(C)C1CCCN(C)C1)N[C@H]1CC[C@@H]2CCC[C@@H]21,WSHLKZRSLRCWHT-HJTRDACESA-N
42918
+ rxn:2:84081:132215,CC1CC(NCCCN2CCC3COCC3C2)CN1C,LPDVQXXNGDFPPC-UHFFFAOYSA-N
42919
+ rxn:2:84577:94584,CN(CC1CC1)CC1CCCCC1N[C@H]1CC[C@@H]1N(C)C,SZPVVPFVTQTPQM-FOIPXRHGSA-N
42920
+ rxn:2:85590:116276,CN(C)[C@@]1(C)CCC[C@@H]1NC1CC(CN2CCCC2)C1,RPVYNELMFBGXEH-GQGLESIBSA-N
42921
+ rxn:2:86453:109704,CN(C)C1CCCN(CCNC2CC(C)(C)C23CCC3)C1,IWEMUMIEXQKCOT-UHFFFAOYSA-N
42922
+ rxn:2:88365:108825,CC1CCCCC1N(C)CCCNC1COC2(COC2)C1,GQNCVPYNPNLGTP-UHFFFAOYSA-N
42923
+ rxn:2:88365:121424,CC1CCCCC1N(C)CCCNC1CC2(CCOCC2)C1,YCXXIVSVZWPRSY-UHFFFAOYSA-N
42924
+ rxn:2:88365:122159,CC1CCCCC1N(C)CCCNC1CCOC2CCCCC12,DQQWTBXOMXHJFP-UHFFFAOYSA-N
42925
+ rxn:2:88365:125698,CC1CCCCC1N(C)CCCNC1CCCOC12CCC2,GVNBQYIQNMTNPO-UHFFFAOYSA-N
42926
+ rxn:2:88365:134994,CC1CCCCC1N(C)CCCNC1CCC12COC2,PMCXNFAXZNEWLE-UHFFFAOYSA-N
42927
+ rxn:2:88365:91159,CC1CCCCC1N(C)CCCNC1CC2(CCOC2)C1,XIMQFWAMVJFHPY-UHFFFAOYSA-N
42928
+ rxn:2:88970:139276,CN(C)CC1CCCC1NCCN1CCOCC2CCCC21,HGYFRQWTYKPFRG-UHFFFAOYSA-N
42929
+ rxn:2:89164:125636,CCC1CCCCCC1NCCN(C)C[C@@H]1CCCN1C,UWTVSOOKGHEHIW-ADKAHSJRSA-N
42930
+ rxn:2:89244:132988,CCN(C)C1(CNC2CCCC(N(C)C)CC2)CCCCC1,QLTUQMLDZNIFKJ-UHFFFAOYSA-N
42931
+ rxn:2:92001:94145,CN(C)[C@H]1CCCC[C@H]1CNC1CCC(C)(C)C2CC12,LHMUZDMUUDDDFU-VGGKZCFMSA-N
42932
+ rxn:2:94145:104325,CCC1CCC(NC[C@@H]2CCCC[C@@H]2N(C)C)C(F)C1,XASPFBSEDGWBKS-WERHSETGSA-N
42933
+ rxn:2:94145:105660,CCCN(C)C1CCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,BBWRIOKCCNNVQT-BMHOQUIDSA-N
42934
+ rxn:2:96294:119097,C[C@H]1CCC(NCCN2CCC3COCC3C2)CN1C,WDEYDMTWKQDHAT-CUUNVARJSA-N
42935
+ rxn:2:96455:119097,CCC1CCCC(CNCCN2CCC3COCC3C2)N1C,MEEXBCAXPYLZMN-UHFFFAOYSA-N
42936
+ rxn:2:96455:123455,CCC1CCCC(CNCCN2CC3COCC3C2)N1C,UYIINXJIQQFMHB-UHFFFAOYSA-N
42937
+ rxn:2:96455:138382,CCC1CCCC(CNCCCN2CCOCC3CCCC32)N1C,NBMVHGZJBZLHBZ-UHFFFAOYSA-N
42938
+ rxn:2:99409:98389,CC1CN(CCNC2COC3CCCOC3C2)CCN1C,ATNLQLMDUMQGJJ-UHFFFAOYSA-N