Added 41 molecules from epoch 20841 for P31645
Browse files- P31645_molecules.csv +41 -0
P31645_molecules.csv
CHANGED
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@@ -51753,3 +51753,44 @@ rxn:5:198747:223468:229290,Cc1sccc1-c1cnc2ccc(-c3c[nH]cn3)cc2c1,ODRJUXKEIZXNFI-U
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| 51753 |
rxn:5:199062:223467:229333,Cc1c(-c2ccc[se]2)ccc2c(-c3ncc[nH]3)ccnc12,WTVAKDNJQAIRFB-UHFFFAOYSA-N
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| 51754 |
rxn:5:199082:223468:229330,Cc1cc2ccc(-c3c[nH]cn3)cc2nc1-c1ccsc1,MPHRNMIDBXDYCP-UHFFFAOYSA-N
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| 51755 |
rxn:5:199105:223468:229332,Cc1nc(-c2ccoc2)cc2ccc(-c3c[nH]cn3)cc12,SLYFLRHMIPBDQQ-UHFFFAOYSA-N
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| 51753 |
rxn:5:199062:223467:229333,Cc1c(-c2ccc[se]2)ccc2c(-c3ncc[nH]3)ccnc12,WTVAKDNJQAIRFB-UHFFFAOYSA-N
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| 51754 |
rxn:5:199082:223468:229330,Cc1cc2ccc(-c3c[nH]cn3)cc2nc1-c1ccsc1,MPHRNMIDBXDYCP-UHFFFAOYSA-N
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| 51755 |
rxn:5:199105:223468:229332,Cc1nc(-c2ccoc2)cc2ccc(-c3c[nH]cn3)cc12,SLYFLRHMIPBDQQ-UHFFFAOYSA-N
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| 51756 |
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rxn:3:55885:38324:100314,Cc1ccc(-c2cn(CC3CC3c3ncccc3C(=O)NCc3ccc4c(c3)OCC(C)(C)CO4)nn2)cc1,MBSHDEWIUZLZDY-UHFFFAOYSA-N
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| 51757 |
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rxn:5:180876:223414:229338,C#Cc1ccc(-c2ccnc3[nH]ccc23)cc1-c1ccns1,GKZZIAHPQCSNQD-UHFFFAOYSA-N
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| 51758 |
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rxn:5:181066:228816:229333,COc1cc(-c2c(C)nc(C)nc2C)ccc1-c1ccc[se]1,PEUOGOMOBQIDEZ-UHFFFAOYSA-N
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| 51759 |
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rxn:5:181418:223407:229335,COc1cc(-c2cnc3cc[nH]c3c2)c(C)cc1-c1cscn1,XGLLBRARHJRCPS-UHFFFAOYSA-N
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| 51760 |
+
rxn:5:181418:228881:229333,COc1cc(-c2cnc(C(C)=O)nc2)c(C)cc1-c1ccc[se]1,QZGUKZDUOFBGQH-UHFFFAOYSA-N
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| 51761 |
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rxn:5:181582:229163:229333,CCc1cc(-c2cnnc(OC)c2)cc(C)c1-c1ccc[se]1,LEENKCWSCRLUHU-UHFFFAOYSA-N
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| 51762 |
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rxn:5:182442:223312:229320,Fc1csc(-c2ccc(-c3ccc(C4CNC4)cc3)cc2)c1,GZUAHUMRTZFJBL-UHFFFAOYSA-N
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| 51763 |
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rxn:5:182500:228458:223468,CSc1ncc(-c2ccc(-c3c[nH]cn3)cc2C)c(SC)n1,OXXFSZCVJRKNBP-UHFFFAOYSA-N
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| 51764 |
+
rxn:5:182576:228690:229333,CCOc1cncc(-c2cc(C)c(-c3ccc[se]3)cc2C)c1,VNVXIBACZNPXQF-UHFFFAOYSA-N
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| 51765 |
+
rxn:5:182576:228861:223468,Cc1cc(-c2c[nH]cn2)c(C)cc1-c1cnc2scnc2c1,KPHBORVNJKGTHT-UHFFFAOYSA-N
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| 51766 |
+
rxn:5:182578:228865:229333,CCOc1cnc(-c2ccc(-c3ccc[se]3)c(C)c2C)cn1,IIVZXQRMNBCLQB-UHFFFAOYSA-N
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| 51767 |
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rxn:5:191677:229333:228995,CCOc1cc(-c2cncc(CC)c2)ncc1-c1ccc[se]1,LFGCEFHAEAQQEZ-UHFFFAOYSA-N
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| 51768 |
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rxn:5:195300:228596:229333,CCc1ccc(-c2cc(OC)c(-c3ccc[se]3)cn2)c(C)n1,FZSQUFHYRRAWFS-UHFFFAOYSA-N
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| 51769 |
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rxn:5:195315:228201:229333,COc1cc(-c2ccc[se]2)ncc1-c1cnc(C2CCC2)nc1,FSMNXRCGDDPBSA-UHFFFAOYSA-N
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| 51770 |
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rxn:5:195315:229094:229333,COc1cc(-c2ccc[se]2)ncc1-c1cnc(C)nc1C,RWZCNRUFCGGXBB-UHFFFAOYSA-N
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| 51771 |
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rxn:5:195321:229019:229338,CSc1cc(-c2ccc(C)nc2C)cnc1-c1ccns1,QBXBYERCBJLDRY-UHFFFAOYSA-N
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| 51772 |
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rxn:5:195524:229333:228864,CCOc1ncc(-c2ncc(-c3ccc[se]3)cc2CC)cn1,HMDUEFSJUDJTLZ-UHFFFAOYSA-N
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| 51773 |
+
rxn:5:195525:228756:229333,CCc1cc(-c2ccc[se]2)ncc1-c1ccc(SC)nc1C,NJKUFHGFCYZRJG-UHFFFAOYSA-N
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| 51774 |
+
rxn:5:195525:229333:228748,CCc1cc(-c2cnc(OC)cc2C)ncc1-c1ccc[se]1,JJYDLOZIYRIUQN-UHFFFAOYSA-N
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| 51775 |
+
rxn:5:195526:229333:228685,CCc1nc(-c2cncc(COC)c2)ccc1-c1ccc[se]1,ISUFUHJATZELNS-UHFFFAOYSA-N
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| 51776 |
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rxn:5:195526:229333:228864,CCOc1ncc(-c2ccc(-c3ccc[se]3)c(CC)n2)cn1,VSSWDEZHQODXBV-UHFFFAOYSA-N
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| 51777 |
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rxn:5:195526:229333:228882,CCc1nc(-c2cnc(OC)nc2C)ccc1-c1ccc[se]1,GAFCNBCKLFBUOF-UHFFFAOYSA-N
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| 51778 |
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rxn:5:198120:228715:229333,Cc1nc(C#N)ccc1-c1ccc(-c2ccc[se]2)nc1,HWLFQUDZRQTJQX-UHFFFAOYSA-N
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| 51779 |
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rxn:5:198122:223240:229320,Fc1csc(-c2ccc(-c3ccc(C4CCNC4)nc3)nc2)c1,AMHVRDCUXFJDDM-UHFFFAOYSA-N
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| 51780 |
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rxn:5:198227:228596:229333,CCc1ccc(-c2ccc(-c3ccc[se]3)nc2C)c(C)n1,JBUSDROXTJTWDZ-UHFFFAOYSA-N
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| 51781 |
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rxn:5:198227:228755:229343,COc1cncc(-c2ccc(-c3ccsn3)nc2C)c1C,IPHIZOPDGQGAMH-UHFFFAOYSA-N
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| 51782 |
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rxn:5:198242:228308:229333,CCOc1ncc(-c2nc(-c3ccc[se]3)ccc2C)c(C)n1,PMBMSZHPRWVEMJ-UHFFFAOYSA-N
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| 51783 |
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rxn:5:198322:228736:229333,COc1nc(C)ccc1-c1cc(C)c(-c2ccc[se]2)c(C)n1,MSKMRPOETQYCST-UHFFFAOYSA-N
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| 51784 |
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rxn:5:198327:229333:229333,Cc1cc(-c2ccc[se]2)c(C)nc1-c1ccc[se]1,RNHSUZMEUZOSMF-UHFFFAOYSA-N
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| 51785 |
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rxn:5:198328:223463:229333,Cc1c(-c2ccc[nH]2)cnc(-c2ccc[se]2)c1C,LZAYPUXICDVQPL-UHFFFAOYSA-N
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| 51786 |
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rxn:5:198328:228327:229333,COc1cc(-c2cnc(-c3ccc[se]3)c(C)c2C)cnc1OC,LZUVCDFQLLDLQX-UHFFFAOYSA-N
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| 51787 |
+
rxn:5:198328:228737:229333,COc1ccc(-c2cnc(-c3ccc[se]3)c(C)c2C)c(C)n1,KDINZFSCCYVMOQ-UHFFFAOYSA-N
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| 51788 |
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rxn:5:198433:229213:229333,C[n+]1ccc(-c2ccc(-c3ccc[se]3)c3ncoc23)cc1,YZJSJSQYOPRVEE-UHFFFAOYSA-N
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| 51789 |
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rxn:5:198527:229240:229333,Cc1ncc(-c2ccc3c(-c4ccc[se]4)c[nH]c3c2)cn1,XQLWRVIAJUQRSY-UHFFFAOYSA-N
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| 51790 |
+
rxn:5:198630:223468:229290,Cc1sccc1-c1cnc2cc(-c3c[nH]cn3)ccc2c1,SHFJTTBLXWXTFE-UHFFFAOYSA-N
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| 51791 |
+
rxn:5:198639:229307:229333,Cc1oncc1-c1ccc2cc(-c3ccc[se]3)ncc2c1,MDCGWDYNPPXRTK-UHFFFAOYSA-N
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| 51792 |
+
rxn:5:198919:229333:229301,Cc1cc(-c2cccnn2)cc2cc(-c3ccc[se]3)[nH]c12,GHCTWDKRVCTDBS-UHFFFAOYSA-N
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| 51793 |
+
rxn:5:198919:229333:229303,Cc1cc(-c2ncccn2)cc2cc(-c3ccc[se]3)[nH]c12,QWQSNDIRLOYICD-UHFFFAOYSA-N
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| 51794 |
+
rxn:5:199065:223467:229333,Cc1cc2cc(-c3ncc[nH]3)ccc2nc1-c1ccc[se]1,UJZAJBYDVJGSRJ-UHFFFAOYSA-N
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| 51795 |
+
rxn:5:199065:229333:223468,Cc1cc2cc(-c3ccc[se]3)ccc2nc1-c1c[nH]cn1,PGXCROQQICIJNM-UHFFFAOYSA-N
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| 51796 |
+
rxn:5:199081:223468:229320,Cc1cc(-c2cc(F)cs2)nc2ccc(-c3c[nH]cn3)cc12,PUPPACMGVIGJGT-UHFFFAOYSA-N
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