Added 26 molecules from epoch 20655 for P31652
Browse files- P31652_molecules.csv +26 -0
P31652_molecules.csv
CHANGED
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@@ -60016,3 +60016,29 @@ rxn:2:86954:66762,CSCc1ncc(C(C)Nc2ccnc3[nH]c(C)cc23)s1,APIVOXXGNUEXRX-UHFFFAOYSA
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| 60016 |
rxn:2:87328:96265,COc1cc2c(cc1NC1CC(SC)C1)CN(C)C2,BSMOUWBMRXZHAM-UHFFFAOYSA-N
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| 60017 |
rxn:2:89687:93522,COc1cc(NC2CC3CSCC3C2)cn2c(C)nnc12,OWNPYDIXZWIBJE-UHFFFAOYSA-N
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| 60018 |
rxn:2:96968:108204,C(#Cc1cc2cn[nH]c2cn1)CNC1CCc2cscc2C1,KNTGEERHOQMSQK-UHFFFAOYSA-N
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| 60016 |
rxn:2:87328:96265,COc1cc2c(cc1NC1CC(SC)C1)CN(C)C2,BSMOUWBMRXZHAM-UHFFFAOYSA-N
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| 60017 |
rxn:2:89687:93522,COc1cc(NC2CC3CSCC3C2)cn2c(C)nnc12,OWNPYDIXZWIBJE-UHFFFAOYSA-N
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| 60018 |
rxn:2:96968:108204,C(#Cc1cc2cn[nH]c2cn1)CNC1CCc2cscc2C1,KNTGEERHOQMSQK-UHFFFAOYSA-N
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| 60019 |
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rxn:2:101051:141147,Cc1cc2ncc(NC3CC(C)CC(C)(C)C3)cc2[nH]1,AXMIEHDJKGQGRM-UHFFFAOYSA-N
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| 60020 |
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rxn:2:102045:132057,CSc1cncc(C(C)Nc2ccnc3[nH]ncc23)c1,KJQDFGLWPKDTFT-UHFFFAOYSA-N
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| 60021 |
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rxn:2:108915:80351,CSc1nc(C)c(CCNC2CCc3c2ccn3C)s1,MQYVUOLUPMRBCH-UHFFFAOYSA-N
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| 60022 |
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rxn:2:115476:71586,Cc1cc(-c2cc(NC3CC(c4ccsc4)C3)n[nH]2)ccn1,URDRDRNQHQWSRS-UHFFFAOYSA-N
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| 60023 |
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rxn:2:118036:84775,Cc1cc(C)c2c(n1)SCC2Nc1ccc2scnc2c1C,YLLXVBKPRFOWFD-UHFFFAOYSA-N
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| 60024 |
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rxn:2:125183:74104,CC(Nc1ccc2sccc2n1)c1c[nH]c2ncccc12,BLJHZXBGLDEZMO-UHFFFAOYSA-N
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| 60025 |
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rxn:2:127634:95041,CSc1ccc(C(C)Nc2ncnc3c2Cc2nc[nH]c2C3)s1,XVUPEKXROWCZFA-UHFFFAOYSA-N
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| 60026 |
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rxn:2:133916:70252,CC(Nc1c[nH]c2ncccc12)c1cnc2ncsc2c1,UUCNTLZDYCEAEP-UHFFFAOYSA-N
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| 60027 |
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rxn:2:140048:93598,C=C=Cc1cnc(C(C)Nc2ccc3[nH]cnc3c2C)s1,PRUSDSXHIHRZMF-UHFFFAOYSA-N
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| 60028 |
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rxn:2:150947:123060,CSC1CCC(Nc2cccc3c2ccn2cnnc32)C1,WUZSUWALXWVZBV-UHFFFAOYSA-N
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| 60029 |
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rxn:2:152048:90296,Cc1c(NC2CC(C3CC3)C2)cc(C)c2c(=O)[nH]ccc12,YUXKHNJLWOXADN-UHFFFAOYSA-N
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| 60030 |
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rxn:2:154005:103022,N=c1ccc2nc3ccc(NC4CC5CC4C5)cc3oc-2c1,DAZNVDNNXRCJBY-UHFFFAOYSA-N
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| 60031 |
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rxn:2:163207:71586,c1ncc2c(ccc3nc(NC4CC(c5ccsc5)C4)[nH]c32)n1,IHXPUANYEHCODZ-UHFFFAOYSA-N
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| 60032 |
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rxn:2:165591:120232,CCSCCC(C)Nc1ccc2c(c1)ncc1c(=O)[nH][nH]c12,VADFLPXMQDUAMT-UHFFFAOYSA-N
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| 60033 |
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rxn:2:70101:91105,CSc1ncc2c(n1)CCC(Nc1ccc3[nH]cnc3n1)C2,AOZAVZMBUYNWCN-UHFFFAOYSA-N
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| 60034 |
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rxn:2:72760:73833,C[Si](C)(C)C#Cc1ncc(NC2CC3(CC(F)C3)C2)cn1,XRHYVAMLTAGDGU-UHFFFAOYSA-N
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| 60035 |
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rxn:2:73269:89838,CSc1cnnc(NC(C)c2ccc3nc(C)sc3c2)c1,FVILWKFUXTVBFV-UHFFFAOYSA-N
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| 60036 |
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rxn:2:77854:107408,CC(Nc1cnc2cnccn12)c1ccc(-c2ccsc2)s1,BMVHJZQILZZXAJ-UHFFFAOYSA-N
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| 60037 |
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rxn:2:78560:135854,COc1cc(NC(C)c2sc3scc(C)c3c2C)cnn1,HNFDXUOTLPQHHN-UHFFFAOYSA-N
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| 60038 |
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rxn:2:80290:71586,COc1ccnc2[nH]cc(NC3CC(c4ccsc4)C3)c12,KBTPIPVICVJZPJ-UHFFFAOYSA-N
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| 60039 |
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rxn:2:81295:125030,CSCC1CCC(Nc2c[nH]c3c(C)nccc23)CC1,RMKXBWLNRNRCHN-UHFFFAOYSA-N
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| 60040 |
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rxn:2:81727:74829,COc1nccc2c(NC(C)c3cc(C)cs3)c[nH]c12,YWJLMRBEMRRQRI-UHFFFAOYSA-N
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| 60041 |
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rxn:2:83626:71586,c1cc(C2CC(Nc3ncn4c5c(nc4n3)CCC5)C2)cs1,VVYVQXDUWPFPII-UHFFFAOYSA-N
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| 60042 |
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rxn:2:87227:137914,CSCCC1CC(Nc2c[nH]c3c(C)nc(C)cc23)C1,GWTLGGKPZVGXJI-UHFFFAOYSA-N
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| 60043 |
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rxn:2:89525:130954,Cc1nccnc1-c1cc(NC2CCC3(CC2)CSC3)n[nH]1,QHIGWCDRHOHTSU-UHFFFAOYSA-N
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| 60044 |
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rxn:2:90493:109536,Cc1ccc2c(c1)SCC2Nc1cnc2[nH]cnc2c1C,ZHBXTLMACWCNDD-UHFFFAOYSA-N
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