Added 32 molecules from epoch 21582 for Q01959
Browse files- Q01959_molecules.csv +32 -0
Q01959_molecules.csv
CHANGED
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@@ -25400,3 +25400,35 @@ rxn:2:87971:113826,CCCOc1ccc(C(C)N[C@H]2CC[C@H](CCN(C)C)CC2)cc1C,JLCFHZBWMATAOW-
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| 25400 |
rxn:2:89509:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)Nc1cncc(=O)[nH]1,ITSQZBUVAKWQDC-UHFFFAOYSA-N
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| 25401 |
rxn:2:97024:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cscn3)c(C)c2)c1,CJKGHLCUPJMVDX-UHFFFAOYSA-N
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| 25402 |
rxn:2:97543:150277,COc1csc(-c2ccc(CCC(C)NCCc3nnn[nH]3)cc2)c1,LVKBXTVMFFXDBM-UHFFFAOYSA-N
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| 25400 |
rxn:2:89509:172751,Cc1cc(-c2ccc(-c3cccs3)s2)ccc1C(C)Nc1cncc(=O)[nH]1,ITSQZBUVAKWQDC-UHFFFAOYSA-N
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| 25401 |
rxn:2:97024:156984,COc1csc(-c2ccc(C(C)NCCC#Cc3cscn3)c(C)c2)c1,CJKGHLCUPJMVDX-UHFFFAOYSA-N
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| 25402 |
rxn:2:97543:150277,COc1csc(-c2ccc(CCC(C)NCCc3nnn[nH]3)cc2)c1,LVKBXTVMFFXDBM-UHFFFAOYSA-N
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| 25403 |
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rxn:2:105701:169412,Cc1csc(-c2ccc(CCC(C)NCc3ccc[nH]3)cc2)c1,IZWMTVVCWWCNNN-UHFFFAOYSA-N
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| 25404 |
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rxn:2:108829:103126,Cc1cccc(C2CC(NCCC#Cc3cscc3C)C2)c1,HJIGXJXYQITWQH-UHFFFAOYSA-N
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| 25405 |
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rxn:2:110342:170060,Cc1cc(-c2ccc(CCC(C)N[C@@H]3CCN(c4ccncn4)C3)cc2)cs1,LOOSNBWKDUGTIL-IVAFLUGOSA-N
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| 25406 |
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rxn:2:110352:150642,CCNC(c1cccnc1)c1csc2ccccc12,ZXCNYYLWJALIOX-UHFFFAOYSA-N
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| 25407 |
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rxn:2:121883:170060,Cc1cc(-c2ccc(CCC(C)NCCC3CC3c3ccccn3)cc2)cs1,SVGUKEYKJZTCGV-UHFFFAOYSA-N
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| 25408 |
+
rxn:2:123028:171231,CCOc1cc(C)c(-c2csc(C(C)NCCC3CC(OC)C3)c2)cc1C,MVTUAVRPSPTYHQ-UHFFFAOYSA-N
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| 25409 |
+
rxn:2:123884:170060,Cc1cc(-c2ccc(CCC(C)NCc3ccsn3)cc2)cs1,MGIYQYKPTCVSNC-UHFFFAOYSA-N
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| 25410 |
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rxn:2:128700:169412,Cc1csc(-c2ccc(CCC(C)NCc3ccc(-c4c[nH]cn4)cc3)cc2)c1,WJSKHVOLMVRTEL-UHFFFAOYSA-N
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| 25411 |
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rxn:2:130128:171426,CCC(Nc1cnsc1)c1ccc(-c2cc(C)c(OC)cc2C)s1,NZZGWSDJMRGWNA-UHFFFAOYSA-N
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| 25412 |
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rxn:2:134099:170482,Cc1ccc2sc(-c3ccc(C(C)NCCCS(=O)(=O)F)s3)cc2c1,DCAZQZCOKQLVDM-UHFFFAOYSA-N
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| 25413 |
+
rxn:2:134099:171492,CC(NCCCS(=O)(=O)F)c1ccc(-c2cc3ccccc3s2)cc1,WTYPWBBZQUAMDE-UHFFFAOYSA-N
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| 25414 |
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rxn:2:135072:170235,Cc1cccc(-c2ccc3oc(C(C)NCCCOc4ccon4)cc3c2)c1,MUBSRNVCMJHLCY-UHFFFAOYSA-N
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| 25415 |
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rxn:2:135414:169305,CCS(=O)(=O)C1CC1CNC(C)c1ccc(-c2cc3ccccc3o2)cc1C,FGTZPSPLKZDXHS-UHFFFAOYSA-N
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| 25416 |
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rxn:2:138805:170026,CCCC(NCCCCOC)c1ccc(-c2cc3cc(C)ccc3s2)cc1,FLNNSEIKRUNKGQ-UHFFFAOYSA-N
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| 25417 |
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rxn:2:141819:169085,COc1ccc2oc(-c3ccc(CCC(C)NCCc4n[nH]c(=O)o4)cc3)cc2c1,DCIDETCBKVTKSP-UHFFFAOYSA-N
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| 25418 |
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rxn:2:150027:161976,CCc1cc(C(NC(C)c2cn(Cc3ccccc3)c3c(OC)cccc23)c2cnccn2)ccc1OC,YHMHHYTYCRTUIM-UHFFFAOYSA-N
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| 25419 |
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rxn:2:150747:169851,CSc1ccc(-c2ccc(C(C)NCC#Cc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1,RWTHXALMMBWOBG-UHFFFAOYSA-N
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| 25420 |
+
rxn:2:150747:172265,CC(NCC#Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(-c3cccs3)s2)s1,XGHVFDBLKSWOPE-UHFFFAOYSA-N
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| 25421 |
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rxn:2:155192:142183,CC(NCC=N)c1ccc2oc3ccccc3c2c1,QYTUJJZWVIMGRI-UHFFFAOYSA-N
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| 25422 |
+
rxn:2:70925:110334,Cc1ccc2cc(C(C)NCCC3CC3c3ccc[nH]3)ccc2c1,LUTGLFPOIXHWDW-UHFFFAOYSA-N
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| 25423 |
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rxn:2:71522:170060,Cc1cc(-c2ccc(CCC(C)NCC3CCCc4[nH]cnc43)cc2)cs1,YBCWEWBTNLZOIN-UHFFFAOYSA-N
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| 25424 |
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rxn:2:72890:171180,CCC(NCCCCc1c[nH]cn1)c1ccc(-c2cc3cc(C)ccc3s2)cc1,MUMOVIGVCZVXPN-UHFFFAOYSA-N
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| 25425 |
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rxn:2:77202:125240,CCc1cccc2c1CCC(NCCCc1cn[nH]c1)C2,CWPRYYPBXFYHBF-UHFFFAOYSA-N
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| 25426 |
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rxn:2:78442:170060,Cc1cc(C(C)CNC(C)CCc2ccc(-c3csc(C)c3)cc2)ncn1,LEXMRARFAWZLCQ-UHFFFAOYSA-N
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| 25427 |
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rxn:2:78517:142183,Cc1cc(C)c(C2(C)CC2NCC=N)cc1C,OCHRNNVKXKGXGW-UHFFFAOYSA-N
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| 25428 |
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rxn:2:83170:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3ccncn3)cc2)c1,COYSSYJJSFQMRN-UHFFFAOYSA-N
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| 25429 |
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rxn:2:83170:78538,Cc1ccsc1-c1ccc(C(C)NCCCc2ccncn2)cc1,AACDALSZBWLPAD-UHFFFAOYSA-N
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| 25430 |
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rxn:2:83604:130906,CCCCCC(NCC1N=N1)c1cc(C)ccc1C,AAWAAJGRGPTGJD-UHFFFAOYSA-N
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| 25431 |
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rxn:2:86811:136989,CSc1ccc(C(C)NC2CCC(CC3CCN(C)C3)CC2)cc1,NJLUAZHDJLQTEW-UHFFFAOYSA-N
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| 25432 |
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rxn:2:89509:150766,C=C=Cc1ccc2scc(C(C)Nc3cncc(=O)[nH]3)c2c1,HWASGKOSOOEYHR-UHFFFAOYSA-N
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| 25433 |
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rxn:2:89554:78538,Cc1ccsc1-c1ccc(C(C)NCC#Cc2cnc3nc[nH]c3c2)cc1,RJWMAFOHXMEXOV-UHFFFAOYSA-N
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| 25434 |
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rxn:2:92882:169412,Cc1csc(-c2ccc(CCC(C)NCCCc3nccnc3C)cc2)c1,UVOPDPFCFPZRIT-UHFFFAOYSA-N
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