Added 322 molecules from epoch 17425 for O15379
Browse files- O15379_molecules.csv +322 -0
O15379_molecules.csv
CHANGED
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@@ -26711,3 +26711,325 @@ rxn:1:7206:59586,CC1(C)OB(C(F)=C(Cn2cc(-c3cncc(OC4CCNC4)n3)nn2)c2cccc([N+](=O)[O
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| 26711 |
rxn:1:8006:49514,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCN(C)CC(CO)C4)nn3)c2)C1(F)F,UTAXHZLCUXSBJW-UHFFFAOYSA-N
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| 26712 |
rxn:1:8323:49061,CC1(C)CN(CCn2cc(C(=O)N3CCC(c4cccc(Cc5cccc(F)c5)n4)CC3)nn2)CCS1,SXXPLYQMVDMTBD-UHFFFAOYSA-N
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| 26713 |
rxn:1:8443:44519,C[Si](C)(C)OC1COCC1n1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(Cl)c3)CC2)nn1,TYISNKXHXFPUBP-UHFFFAOYSA-N
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| 26711 |
rxn:1:8006:49514,CC(=O)SCC1C(c2cccc(-n3cc(C(=O)N4CCN(C)CC(CO)C4)nn3)c2)C1(F)F,UTAXHZLCUXSBJW-UHFFFAOYSA-N
|
| 26712 |
rxn:1:8323:49061,CC1(C)CN(CCn2cc(C(=O)N3CCC(c4cccc(Cc5cccc(F)c5)n4)CC3)nn2)CCS1,SXXPLYQMVDMTBD-UHFFFAOYSA-N
|
| 26713 |
rxn:1:8443:44519,C[Si](C)(C)OC1COCC1n1cc(C(=O)N2CCC(c3nccnc3Oc3cccc(Cl)c3)CC2)nn1,TYISNKXHXFPUBP-UHFFFAOYSA-N
|
| 26714 |
+
rxn:3:10393:63963:83860,O=C1CC(Cn2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)CN1C1(C(=O)Nc2cccc(OS(=O)(=O)F)c2)CCCC1,QVCXGDVKNQHHSL-UHFFFAOYSA-N
|
| 26715 |
+
rxn:3:10393:63966:118204,O=C1CC(Cn2cc(CSc3ncnc4sc5c(c34)CCCC5)nn2)CN1C1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCCC1,GFQVTKSQEMKIQX-UHFFFAOYSA-N
|
| 26716 |
+
rxn:3:11519:51281:109503,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCO5)CC4)cc3)C2(F)F)nn1,PTIFXRHWVZTRPU-UHFFFAOYSA-O
|
| 26717 |
+
rxn:3:11519:51281:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccc(C4(C(=O)NC5CCCO5)CC4)cc3)C2(F)F)nn1,KODIPLYZSKQZRB-UHFFFAOYSA-O
|
| 26718 |
+
rxn:3:11519:51282:109503,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3cccc(C4(C(=O)NC5CCO5)CC4)c3)C2(F)F)nn1,ICPKEQQSHVPDRY-UHFFFAOYSA-O
|
| 26719 |
+
rxn:3:11519:51282:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3cccc(C4(C(=O)NC5CCCO5)CC4)c3)C2(F)F)nn1,HRZULQHPEBQLMJ-UHFFFAOYSA-O
|
| 26720 |
+
rxn:3:11519:51283:71821,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccccc3C3(C(=O)NC4CCCO4)CC3)C2(F)F)nn1,RQMGKJVCJVPGKA-UHFFFAOYSA-O
|
| 26721 |
+
rxn:3:11519:59852:100874,C=C(C)C[N+](C)(C)Cc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4(OC)CS(=O)(=O)C4)C3)C2)nn1,HICLCOMLQJEDDP-OPSDPNGSSA-O
|
| 26722 |
+
rxn:3:11519:62781:120779,C=C(C)C[N+](C)(C)Cc1cn(CC2CC(=O)N(C(C(=O)NC3CC4C(C3)C4(F)F)C3CC3)C2)nn1,NTLLUYCRJSHYSW-UHFFFAOYSA-O
|
| 26723 |
+
rxn:3:12139:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C(F)(F)c4cncnc4)nn3)C2)CCO1,ZQQMYKVGFOQEJS-KOFGWKMWSA-N
|
| 26724 |
+
rxn:3:12213:62781:103471,CN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)CCc4ccsc4)C4CC4)C3)nn2)C1,UIQDRDICNOYXEU-PLMQIDHYSA-N
|
| 26725 |
+
rxn:3:12213:62781:87323,CN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)Cc4ccsc4)C4CC4)C3)nn2)C1,DNNPJCSAXGNOJA-RQOSSDEQSA-N
|
| 26726 |
+
rxn:3:12214:62645:109510,CCN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C)C(=O)NC(c4cccs4)c4ccccc4OC)C3)nn2)C1,HLFTYEIBTWFUQI-YKRCATHFSA-N
|
| 26727 |
+
rxn:3:12214:62781:87323,CCN1C[C@@H](F)[C@H](c2cn(CC3CC(=O)N(C(C(=O)NC(C)(C)Cc4ccsc4)C4CC4)C3)nn2)C1,RINNIORCRCYMAJ-PLMQIDHYSA-N
|
| 26728 |
+
rxn:3:1298:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5cnc(C(F)(F)F)s5)nn4)C3)CCO2)CCCC1,LDELMRIAADTPFK-KUBVQFIISA-N
|
| 26729 |
+
rxn:3:14425:54804:105484,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6cccc7cc(C)c(C)cc67)c5c4)C3(F)F)nn2)CC1,DHDRMIIXCPWDDZ-UHFFFAOYSA-N
|
| 26730 |
+
rxn:3:14425:54804:67451,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6ccc(C)c7cccc(C)c67)c5c4)C3(F)F)nn2)CC1,GBMRMDYKCYHBCH-UHFFFAOYSA-N
|
| 26731 |
+
rxn:3:14425:54804:84402,CCCCC1CCC(c2cn(CCC3C(c4ccc5[nH]nc(C(=O)Nc6ccc(C)c(C)c6)c5c4)C3(F)F)nn2)CC1,PYMRYVRCXZICSR-UHFFFAOYSA-N
|
| 26732 |
+
rxn:3:16779:59852:104288,Cc1c(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5cccccc5=O)C4)C3)nn2)cnn1CC(F)(F)F,IPCVSJOKJUCREU-AHTUAUCYSA-N
|
| 26733 |
+
rxn:3:1687:44822:104288,CC(C)(c1cn(CCC#Cc2cc(C(=O)Nc3cccccc3=O)c(F)cn2)nn1)N1[Si](C)(C)CC[Si]1(C)C,HZUYKMJCPZVIMM-UHFFFAOYSA-N
|
| 26734 |
+
rxn:3:1753:62782:100710,CC(NC(=O)C(C1CCCC1)N1CC(Cn2cc(CSc3ccc(F)cc3F)nn2)CC1=O)C1CSC1,RMNURFZWRZRSSC-UHFFFAOYSA-N
|
| 26735 |
+
rxn:3:1754:62782:100584,C[C@H](NC(=O)C(C1CCCC1)N1CC(Cn2cc(CSc3ccc(F)c(F)c3)nn2)CC1=O)C1CC1,KCZZTPVZIWJHFL-YSIXZZNSSA-N
|
| 26736 |
+
rxn:3:1912:62781:75840,CN(C)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,NYVPPKCAIHCODZ-UHFFFAOYSA-N
|
| 26737 |
+
rxn:3:1912:62781:98432,CN(C)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NOCc3ccsc3)C3CC3)C2)nn1,GPWBEHBBPBVCQV-UHFFFAOYSA-N
|
| 26738 |
+
rxn:3:1919:62781:75840,CCN(CC)C(C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,RGSJHAYCYCGWRO-UHFFFAOYSA-N
|
| 26739 |
+
rxn:3:21151:51060:128176,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccc5oc(=O)oc5c4)c(OC)c3)C2(F)F)nn1,NQQICYCTBQUZHR-UHFFFAOYSA-N
|
| 26740 |
+
rxn:3:21151:51060:71470,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccsc4)c(OC)c3)C2(F)F)nn1,JKNGQTYGCSFQQZ-UHFFFAOYSA-N
|
| 26741 |
+
rxn:3:21151:51063:128176,CCC(C)n1nc(C2CCCCC2)cc1-c1cn(CC2C(c3ccc(OC)cc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,FNNGSTBPADLBJM-UHFFFAOYSA-N
|
| 26742 |
+
rxn:3:23036:65592:112976,C[Si](C)(C)ONC(=O)Cc1nnc(N2CC(Cn3cc(-c4ccc(CN5CCC(F)(F)CC5)cc4)nn3)CC2=O)[nH]1,NOEOIQSGFYMLPT-UHFFFAOYSA-N
|
| 26743 |
+
rxn:3:23036:65592:77864,COC1CC(NC(=O)Cc2nnc(N3CC(Cn4cc(-c5ccc(CN6CCC(F)(F)CC6)cc5)nn4)CC3=O)[nH]2)C1(C)C,AWDCARSLGRLXKO-UHFFFAOYSA-N
|
| 26744 |
+
rxn:3:23145:63963:151783,O=C1CC(Cn2cc(C3CN(C4CCC4)C3)nn2)CN1C1(C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CCCC1,JFCQSDIKFWVRAK-UHFFFAOYSA-N
|
| 26745 |
+
rxn:3:23145:63966:151783,O=C1CC(Cn2cc(C3CN(C4CCC4)C3)nn2)CN1C1(C(=O)Nc2ccc(OS(=O)(=O)F)c3ccccc23)CCCCC1,ODAYJUVYFKKWDM-UHFFFAOYSA-N
|
| 26746 |
+
rxn:3:23188:63988:71310,N#CC1(Cc2cn(CC3CC(=O)N(CC(=O)NC(c4ccsc4)C4CCCCCC4)C3)nn2)CC(F)(F)C1,PKDXHQIBZCDZAD-UHFFFAOYSA-N
|
| 26747 |
+
rxn:3:23188:65592:107905,COCc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)cc1,BSOOVPODLXIPQS-UHFFFAOYSA-N
|
| 26748 |
+
rxn:3:23188:65592:124926,C[Si](C)(C)C#Cc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,LTDOSNKOTCCISE-UHFFFAOYSA-N
|
| 26749 |
+
rxn:3:23188:65592:67625,CCOc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5(C#N)CC(F)(F)C5)nn4)CC3=O)[nH]2)c1,JTMLVTBDKPXGKJ-UHFFFAOYSA-N
|
| 26750 |
+
rxn:3:23188:65592:80609,N#CC1(Cc2cn(CC3CC(=O)N(c4nnc(CC(=O)NC5CCc6sccc65)[nH]4)C3)nn2)CC(F)(F)C1,IJRPUUGXJNZXLD-UHFFFAOYSA-N
|
| 26751 |
+
rxn:3:24210:59852:97485,CC(c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccs4)C3)C2)nn1)N1CC(F)C1,HOUSBFWEPAAPDJ-URTYCYGZSA-N
|
| 26752 |
+
rxn:3:24229:65592:106788,CCC(CC)(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccsc1,SFKUCDIJOGTNFY-UHFFFAOYSA-N
|
| 26753 |
+
rxn:3:24229:65592:116522,CCC[C@H](NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,PEBFJCJYSLJCND-WTZHAPHZSA-N
|
| 26754 |
+
rxn:3:24229:65592:127049,CCC[C@@H](NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,PEBFJCJYSLJCND-QCAWOLQUSA-N
|
| 26755 |
+
rxn:3:24229:65592:88861,CCC(CC)(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CCC5C(C4)C5(F)F)nn3)CC2=O)[nH]1)c1ccccc1,HUBFDHYFOYAUJF-UHFFFAOYSA-N
|
| 26756 |
+
rxn:3:2469:62466:83860,CN(CC1CCC1)C(C)(C)c1cn(C2CCC(C(=O)Nc3cccc(OS(=O)(=O)F)c3)C3CCC32)nn1,SOBRJBHUYYLLLS-UHFFFAOYSA-N
|
| 26757 |
+
rxn:3:2577:62646:77797,CC(C)(CF)c1cn(CC2CC(=O)N(C(C(=O)NC3CCOC(c4cccs4)C3)C(C)(C)C)C2)nn1,BZYBXFJJHSAGEH-UHFFFAOYSA-N
|
| 26758 |
+
rxn:3:2766:59852:110440,CC(C)(CC(F)(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCCS(=O)(=O)C4CCOCC4)C3)C2)nn1,MGNFNCGQUJGDAM-AQFHOAJTSA-N
|
| 26759 |
+
rxn:3:2787:65592:124926,C[Si](C)(C)C#Cc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(CC5CCC(F)(F)CC5)nn4)CC3=O)[nH]2)c1,QMFCAJLLZKZJJL-UHFFFAOYSA-N
|
| 26760 |
+
rxn:3:28204:59852:80121,C=C1CN2CCCC2(c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)Nc5ccc6c(c5)CC(F)C6)C4)C3)nn2)C1,OCHHLHKMKWMLMV-MZLDYQFMSA-N
|
| 26761 |
+
rxn:3:29726:59842:148343,C[Si](C)(C)C#Cc1ccc2cc(NC(=O)[C@H]3CC=C[C@H](n4cc(C5=CCCCCCCCCCC5)nn4)C3)ccc2c1,ZKCJUHRVZJOQFR-TWJUONSBSA-N
|
| 26762 |
+
rxn:3:31053:59852:111811,C=CCSCc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4CC(F)(F)C4)C3)C2)nn1,SVAUZVNXONWXNU-RIBPFEIKSA-N
|
| 26763 |
+
rxn:3:31205:59852:66248,N#Cc1nc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(F)C5)C4)C3)nn2)ccc1F,JAPHZZWJXAQAPZ-MBKZYJJVSA-N
|
| 26764 |
+
rxn:3:31278:62466:132922,CCOCC(NC(=O)C1CCC(n2cc(C34CCCN3CC(F)C4)nn2)C2CCC12)c1ccccc1,UQLHAHQRTDDNGA-UHFFFAOYSA-N
|
| 26765 |
+
rxn:3:31381:62781:75840,CC[Si](CC)(CC)c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,LJVWWRRSMDLBSU-UHFFFAOYSA-N
|
| 26766 |
+
rxn:3:31535:59852:105636,CS(=O)(=O)[C@H]1CC[C@H](NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CC1,UVGFNBLKKWKOSL-JQSIVHCRSA-N
|
| 26767 |
+
rxn:3:31535:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CCCC1,DBZMRDUTPSVAQV-FKHRANHKSA-N
|
| 26768 |
+
rxn:3:31535:59852:98009,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(CSc5ccnc(C(F)(F)F)c5)nn4)C3)CCO2)CCCCC1,WTKWTWHBRQMEGL-HDOOXHBUSA-N
|
| 26769 |
+
rxn:3:31535:62653:84875,CC(C)C(C(=O)NC1CCC[Si](C)(C)CC1)N1CC(Cn2cc(CSc3ccnc(C(F)(F)F)c3)nn2)CC1=O,OXGFASHXLCIZCS-UHFFFAOYSA-N
|
| 26770 |
+
rxn:3:31769:62645:89771,CC(C(=O)NCCSC[Si](C)(C)C)N1CC(Cn2cc(C3=CCC(F)(F)CC3)nn2)CC1=O,ZEEKIBGHNGXDOP-UHFFFAOYSA-N
|
| 26771 |
+
rxn:3:31795:59852:69859,N#Cc1ncc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)N[C@H]4CC[Se]C4)C3)C2)nn1,IKHHLHOLZPOYRN-QKLBNAGHSA-N
|
| 26772 |
+
rxn:3:31795:59852:73728,N#Cc1ncc(F)cc1-c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC4)C3)C2)nn1,IQPVYIDBZGPBAD-ULUSDLDDSA-N
|
| 26773 |
+
rxn:3:31795:62784:123559,N#Cc1ncc(F)cc1-c1cn(CC2CC(=O)N(C(C(=O)NCCSc3cccs3)C3CCCCC3)C2)nn1,XJUQRSAVTKODNF-UHFFFAOYSA-N
|
| 26774 |
+
rxn:3:35117:59852:80121,C=C(C)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4ccc5c(c4)CC(F)C5)C3)C2)nn1,YWYFXTSSCQMGSW-KSASVDEESA-N
|
| 26775 |
+
rxn:3:3716:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnn4C4CC4(F)F)nn3)C2)CCO1,GOJZWGUENMYTMV-JDPPGYRCSA-N
|
| 26776 |
+
rxn:3:3748:49937:71470,CC1(C#N)CCCN(CCc2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccsc4)C3(F)F)nn2)C1,YOLPLWROWRSPQH-UHFFFAOYSA-N
|
| 26777 |
+
rxn:3:376:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C(F)(F)F)c4)nn3)C2)CCO1,DAYDKJCEJJIMBF-OJDRRSAWSA-N
|
| 26778 |
+
rxn:3:376:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C(F)(F)F)c4)nn3)C2)CCO1,OPDJBIARZKCWFQ-BCYRDIKASA-N
|
| 26779 |
+
rxn:3:38912:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccnc(C(F)(F)F)n4)nn3)C2)CCO1,SGYDXPWKVGFLFA-SXMVJOELSA-N
|
| 26780 |
+
rxn:3:38912:59852:129631,CS(=O)(=O)CCC1(NC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccnc(C(F)(F)F)n5)nn4)C3)CCO2)CCCC1,JTZBKWWPJDXWAI-IERKJGKXSA-N
|
| 26781 |
+
rxn:3:39072:49937:68801,CC1=C(C=Cc2cn(CC3C(c4cn[nH]c4C(=O)NC[Si](C)(C)c4ccccc4)C3(F)F)nn2)C(C)(C)CCC1,SPNDSYDTZJASFC-UHFFFAOYSA-N
|
| 26782 |
+
rxn:3:39072:49937:72614,CC1=C(C=Cc2cn(CC3C(c4cn[nH]c4C(=O)Nc4ccc(O[Si](C)(C)C)cc4)C3(F)F)nn2)C(C)(C)CCC1,XLWIJQDTTIKSPR-UHFFFAOYSA-N
|
| 26783 |
+
rxn:3:40007:8620:69401,COCCCNC(=O)c1cscc1C=CCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,OCAPWDADPWVTIK-UHFFFAOYSA-N
|
| 26784 |
+
rxn:3:40555:8620:80289,CCC(NC(=O)c1ccc(C=CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1cscc1C,CXKCQDQBUPVOEH-UHFFFAOYSA-N
|
| 26785 |
+
rxn:3:40559:35117:69509,C=C(C)c1cn(CC=Cc2cccc(C(=O)NCC3(OCC)CCC(F)(F)CC3)n2)nn1,QUOONOUEEFRSQF-UHFFFAOYSA-N
|
| 26786 |
+
rxn:3:40784:279:140411,COC(CNC(=O)c1cc(C=CCn2cc(Cc3nncs3)nn2)ccc1C)C1CCC(F)(F)CC1,SEMDFZFWOBKZSZ-UHFFFAOYSA-N
|
| 26787 |
+
rxn:3:40791:279:140411,COC(CNC(=O)c1ccc(C=CCn2cc(Cc3nncs3)nn2)c(C)c1)C1CCC(F)(F)CC1,SHAZWMUVDHDOQT-UHFFFAOYSA-N
|
| 26788 |
+
rxn:3:40792:35117:68267,C=C(C)c1cn(CC=Cc2ccccc2CC(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,MCJOWMPCPISQNJ-UHFFFAOYSA-N
|
| 26789 |
+
rxn:3:40863:12214:69795,CCN1C[C@@H](F)[C@H](c2cn(CC=Cc3cnn([C@@H](C)C(=O)N[C@H]4C[C@H](c5ccc(OC)cc5)C4)c3)nn2)C1,CAROOHYWYFUFHN-FJNHTJRESA-N
|
| 26790 |
+
rxn:3:40863:35117:68267,C=C(C)c1cn(CC=Cc2cnn([C@@H](C)C(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,BGDAHNHKXODULW-SFHVURJKSA-N
|
| 26791 |
+
rxn:3:40949:16799:69106,CCc1c(-c2cn(CC=Cc3ccc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)cnn1C1CC1,ORRHPLJLBXWDSF-UHFFFAOYSA-N
|
| 26792 |
+
rxn:3:41037:35117:69123,C=C(C)c1cn(CC=Cc2ccc(F)c(CC(=O)NC3(CCOC)CCOC3)c2)nn1,QOELVNGESBFTDU-UHFFFAOYSA-N
|
| 26793 |
+
rxn:3:41042:2259:69859,CCN1CCC(c2cn(CC=Cc3ccc(CC(=O)N[C@H]4CC[Se]C4)c(F)c3)nn2)CC1,MFUBJRBOQHMDQO-NRFANRHFSA-N
|
| 26794 |
+
rxn:3:42129:12214:66086,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(C(=O)N[C@@H](c4ccc(OC)cc4C)C4CC4)s3)nn2)C1,NKKVKUUXCSAOJY-FKCDAAJZSA-N
|
| 26795 |
+
rxn:3:42129:12214:66743,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(C(=O)N[C@@H](c4ccccc4OC)C4CC4)s3)nn2)C1,DTVRQEQLUPXLKO-XLGIIRLISA-N
|
| 26796 |
+
rxn:3:42132:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cscc3C(=O)NC(c3ccc(OC)cc3)C3CC3)nn2)C1,ZPLVKLPWZDGHDW-DXCPIXMJSA-N
|
| 26797 |
+
rxn:3:42419:16799:69106,CCc1c(-c2cn(CC#Cc3csc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)cnn1C1CC1,VCCNSDAQKZJHJO-UHFFFAOYSA-N
|
| 26798 |
+
rxn:3:42679:8620:65938,CN(C)C1(c2cn(CC#Cc3cncc(C(=O)NCC4COCCS(=O)(=O)C4)c3)nn2)CCC(F)(F)CC1,GVZUPXRIHYXWTG-UHFFFAOYSA-N
|
| 26799 |
+
rxn:3:42679:8620:66276,CN(C)C1(c2cn(CC#Cc3cncc(C(=O)NC[C@]45C[C@H]4CS(=O)(=O)C5)c3)nn2)CCC(F)(F)CC1,CVALBVJMVCXVTG-REWPJTCUSA-N
|
| 26800 |
+
rxn:3:42680:8620:68011,CCCC(NC(=O)c1ccc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1ccoc1,VLDFJGXCAWQFHU-UHFFFAOYSA-N
|
| 26801 |
+
rxn:3:42680:8620:68326,CCCC(NC(=O)c1ccc(C#CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)cn1)c1cccs1,OMJWOMFWXJAKQC-UHFFFAOYSA-N
|
| 26802 |
+
rxn:3:42681:5180:134908,CCCC(Cc1cn(CC#Cc2cccnc2C(=O)NCC2CC(C)(C)CC(F)(F)C2)nn1)c1cccnc1,XEFMGUGQOSGTPX-UHFFFAOYSA-N
|
| 26803 |
+
rxn:3:42686:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ncccc3C(=O)NC(c3ccc(OC)cc3)C3CC3)nn2)C1,HXRYDVBKZSNTCP-OPMJYIBYSA-N
|
| 26804 |
+
rxn:3:42686:5180:134908,CCCC(Cc1cn(CC#Cc2ncccc2C(=O)NCC2CC(C)(C)CC(F)(F)C2)nn1)c1cccnc1,XIXYJWMHSYPXDE-UHFFFAOYSA-N
|
| 26805 |
+
rxn:3:42688:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccnc(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,IFLOLVPPIQBIRZ-OPMJYIBYSA-N
|
| 26806 |
+
rxn:3:42987:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cnn([C@@H](C)C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,ACTQDKOXIPLSMK-KFSVJYEPSA-N
|
| 26807 |
+
rxn:3:43040:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cnc(F)c(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3)nn2)C1,JHMDMXJKYUZATI-LBHOTPKDSA-N
|
| 26808 |
+
rxn:3:43074:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3ccc(CC(=O)NC(c4ccc(OC)cc4)C4CC4)nc3)nn2)C1,HNNDGBPDKOJUIJ-CRMLLVLTSA-N
|
| 26809 |
+
rxn:3:43162:35117:66041,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NC3CCC(CCCCC)CC3)c2)nn1,UATSZXUHQUIDHD-UHFFFAOYSA-N
|
| 26810 |
+
rxn:3:43162:35117:67005,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)N[C@H](CCC)C3CCCC3)c2)nn1,UXRZEHMPQVJELQ-HSZRJFAPSA-N
|
| 26811 |
+
rxn:3:43162:35117:69123,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NC3(CCOC)CCOC3)c2)nn1,VEJKDINUFIRXNC-UHFFFAOYSA-N
|
| 26812 |
+
rxn:3:43162:35117:69787,C=C(C)c1cn(CC#Cc2ccc(F)c(CC(=O)NCC3CC(CCCC)C3)c2)nn1,NXYTXEIKFHEEHW-UHFFFAOYSA-N
|
| 26813 |
+
rxn:3:43163:35117:67005,C=C(C)c1cn(CC#Cc2cc(CC(=O)N[C@H](CCC)C3CCCC3)ccc2F)nn1,UNMCGTNNDBKDTP-HSZRJFAPSA-N
|
| 26814 |
+
rxn:3:43164:35117:67005,C=C(C)c1cn(CC#Cc2ccc(CC(=O)N[C@H](CCC)C3CCCC3)cc2F)nn1,UIHHNJHKLZBDMG-HSZRJFAPSA-N
|
| 26815 |
+
rxn:3:43166:35117:67005,C=C(C)c1cn(CC#Cc2ccc(CC(=O)N[C@H](CCC)C3CCCC3)c(F)c2)nn1,JCDKTQIADQPBIL-HSZRJFAPSA-N
|
| 26816 |
+
rxn:3:43231:12214:67346,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cc(OC)cc(C(=O)NCC(OC)c4ccc(C)s4)c3)nn2)C1,UFNGSZULDFPDNG-PSJAQFSKSA-N
|
| 26817 |
+
rxn:3:43417:2577:67879,CC(C)(CF)c1cn(C2C=CCC(C(=O)NCCCO[Si](C)(C)C)C2)nn1,OWVBFCQZVKWJNW-UHFFFAOYSA-N
|
| 26818 |
+
rxn:3:43417:5477:65834,CCCC(CCC)NC(=O)C1CC=CC(n2cc(-c3cnn(C4CC4(F)F)c3)nn2)C1,ZZOLVYUMMHVLGU-UHFFFAOYSA-N
|
| 26819 |
+
rxn:3:43417:8615:68267,CCC(c1cn(C2C=CCC(C(=O)NC3(CCOC)CCC(F)(F)CC3)C2)nn1)N(C)C,FPNCSBBYPPOYRH-UHFFFAOYSA-N
|
| 26820 |
+
rxn:3:43417:8620:111189,CC(C#C[Si](C)(C)C)NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1,PDJMRLQMUDHGCQ-UHFFFAOYSA-N
|
| 26821 |
+
rxn:3:43417:8620:123623,CCC(CC)C(NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccccc1C,ILCURBNFINYQOR-UHFFFAOYSA-N
|
| 26822 |
+
rxn:3:43417:8620:67073,CCC(CC)C(NC(=O)C1CC=CC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccc(C)c(C)c1,VRWSXTGGWGLHPN-UHFFFAOYSA-N
|
| 26823 |
+
rxn:3:43417:8680:108703,C[Si](C)(C)C(NC(=O)C1CC=CC(n2cc(C3CC4(CCC(F)(F)CC4)C3)nn2)C1)[Si](C)(C)C,CUAXCZUYEWGWGL-UHFFFAOYSA-N
|
| 26824 |
+
rxn:3:43458:17566:69106,CCOCC(C(=O)NC1CCC(F)(F)c2cc(OC)ccc21)n1cc(-c2cc(CC)n(C3CCC3)n2)nn1,LCSCQNADLODOBN-UHFFFAOYSA-N
|
| 26825 |
+
rxn:3:43458:39139:66849,CCOCC(C(=O)NC1CC(F)c2ccccc21)n1cc(C(CN2CCCC2)N2CCCC2)nn1,BWAZODSIYQUZQB-UHFFFAOYSA-N
|
| 26826 |
+
rxn:3:43458:39139:67120,CCOCC(C(=O)NC1c2ccccc2OCC1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,JIZUEZUTNBGDNY-UHFFFAOYSA-N
|
| 26827 |
+
rxn:3:43458:39139:82573,CCOCC(C(=O)NC1CCc2ccccc2C1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,VMJRFLKIGWERIH-UHFFFAOYSA-N
|
| 26828 |
+
rxn:3:43458:39139:99126,CCOCC(C(=O)NC1c2ccccc2CCC1F)n1cc(C(CN2CCCC2)N2CCCC2)nn1,ZTTTZICZJJKDEB-UHFFFAOYSA-N
|
| 26829 |
+
rxn:3:43458:4461:86559,CCOCC(C(=O)NC1C(F)(F)C12CC2)n1cc(CN(C)C(C)c2cccs2)nn1,PRDGCXJPTAXLBS-UHFFFAOYSA-N
|
| 26830 |
+
rxn:3:43458:8620:68900,CCOCC(C(=O)NC(CC)c1ccco1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,GRFRWKFBIFBQSN-UHFFFAOYSA-N
|
| 26831 |
+
rxn:3:43779:6514:141641,C=C(C)CC(C)(C)c1cn(-c2ccccc2C#CCC(=O)N[C@H]2CC[C@H](CCCOC)CC2)nn1,FGGOMVVMGZLSCE-ALOJWSFFSA-N
|
| 26832 |
+
rxn:3:43780:1022:66627,CCN(C)CCc1cn(-c2cccc(C#CCC(=O)NC3CC(F)(F)CCC3(C)C)c2)nn1,GMQBZNBGQFXGJJ-UHFFFAOYSA-N
|
| 26833 |
+
rxn:3:43780:1032:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(CCN3CCN(C)CC3)nn2)c1,NWVZYANYDGSGDN-UHFFFAOYSA-N
|
| 26834 |
+
rxn:3:43780:1032:69401,COCCCNC(=O)CC#Cc1cccc(-n2cc(CCN3CCN(C)CC3)nn2)c1,WMVOMSHMNQFJTM-UHFFFAOYSA-N
|
| 26835 |
+
rxn:3:43780:1299:68267,COCCC1(NC(=O)CC#Cc2cccc(-n3cc(-c4cc(C)n(C)n4)nn3)c2)CCC(F)(F)CC1,FRGXMEGJZFPLHU-UHFFFAOYSA-N
|
| 26836 |
+
rxn:3:43780:17566:69871,CCc1cc(-c2cn(-c3cccc(C#CCC(=O)NC(C)CC4CCC(F)(F)CC4)c3)nn2)nn1C1CCC1,KOZJCYPKADJOCR-UHFFFAOYSA-N
|
| 26837 |
+
rxn:3:43780:1911:123778,C=CCN(C)Cc1cn(-c2cccc(C#CCC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1,QGVWWDGEOGYNKZ-UHFFFAOYSA-N
|
| 26838 |
+
rxn:3:43780:1911:68267,C=CCN(C)Cc1cn(-c2cccc(C#CCC(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,QECZPLBODIQADJ-UHFFFAOYSA-N
|
| 26839 |
+
rxn:3:43780:2608:69871,CCCCC(C)(C)c1cn(-c2cccc(C#CCC(=O)NC(C)CC3CCC(F)(F)CC3)c2)nn1,AJHWGAQTJPOOBB-UHFFFAOYSA-N
|
| 26840 |
+
rxn:3:43780:2787:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc(CC3CCC(F)(F)CC3)nn2)c1,SNWBPUCBSYXJGE-UHFFFAOYSA-N
|
| 26841 |
+
rxn:3:43780:3295:68267,CCn1cnc(-c2cn(-c3cccc(C#CCC(=O)NC4(CCOC)CCC(F)(F)CC4)c3)nn2)c1,YBIZZNULTXMNOQ-UHFFFAOYSA-N
|
| 26842 |
+
rxn:3:43780:367:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4cnn(C(F)F)c4)nn3)c2)CC1,WSFIFWYLLULTKH-UHFFFAOYSA-N
|
| 26843 |
+
rxn:3:43780:3716:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccnn4C4CC4(F)F)nn3)c2)CC1,OBYWLRBOOAVVNV-UHFFFAOYSA-N
|
| 26844 |
+
rxn:3:43780:3716:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccnn4C4CC4(F)F)nn3)c2)C12CCC2,CUKGNTQRKMCTTN-UHFFFAOYSA-N
|
| 26845 |
+
rxn:3:43780:3731:66041,CCCCCC1CCC(NC(=O)CC#Cc2cccc(-n3cc(-c4ccn(C5CC5(F)F)n4)nn3)c2)CC1,GMKRXQRTZJJHBR-UHFFFAOYSA-N
|
| 26846 |
+
rxn:3:43780:39618:70754,COCCC(NC(=O)CC#Cc1cccc(-n2cc(CN(C)C3CCN(C)CC3)nn2)c1)c1ccsc1,CXQPURGOQQXYFM-UHFFFAOYSA-N
|
| 26847 |
+
rxn:3:43780:5180:123778,CCCC(Cc1cn(-c2cccc(C#CCC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1)c1cccnc1,LQLSMSRZQCUTBO-UHFFFAOYSA-N
|
| 26848 |
+
rxn:3:43780:5180:134908,CCCC(Cc1cn(-c2cccc(C#CCC(=O)NCC3CC(C)(C)CC(F)(F)C3)c2)nn1)c1cccnc1,UIYGGUISXPESIK-UHFFFAOYSA-N
|
| 26849 |
+
rxn:3:43780:5181:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(CC(CC)c4ccncc4)nn3)c2)C12CCC2,CBOUHNPPVHCLEH-UHFFFAOYSA-N
|
| 26850 |
+
rxn:3:43780:5478:66897,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(CN3CCC(N(C)C)C3)nn2)c1)c1cc(OC)ccc1OC,UKTZOHIWIFEAKD-MPSNESSQSA-N
|
| 26851 |
+
rxn:3:43780:6142:69106,CCC1CC(Cc2c(-c3cn(-c4cccc(C#CCC(=O)NC5CCC(F)(F)c6cc(OC)ccc65)c4)nn3)cnn2C)C1,VCJWWZJNRASAKZ-UHFFFAOYSA-N
|
| 26852 |
+
rxn:3:43780:6365:68267,COCCC1(NC(=O)CC#Cc2cccc(-n3cc(-c4ccc(C5CC5)nn4)nn3)c2)CCC(F)(F)CC1,MRYWERLSYCIMGK-UHFFFAOYSA-N
|
| 26853 |
+
rxn:3:43780:6386:69509,CCOC1(CNC(=O)CC#Cc2cccc(-n3cc(-c4nnc(C5CC5)s4)nn3)c2)CCC(F)(F)CC1,ALHZXHPWXNCMEL-UHFFFAOYSA-N
|
| 26854 |
+
rxn:3:43780:6389:68267,CCc1cnc(-c2cn(-c3cccc(C#CCC(=O)NC4(CCOC)CCC(F)(F)CC4)c3)nn2)nc1,HHFDDARGQXUIEP-UHFFFAOYSA-N
|
| 26855 |
+
rxn:3:43780:6550:68267,C=CCC(C)(C)c1cn(-c2cccc(C#CCC(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,RWHYQTFAHVRULC-UHFFFAOYSA-N
|
| 26856 |
+
rxn:3:43780:7081:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc([C@H]3CC[C@H](C(F)F)CC3)nn2)c1,VTMGIVZBFZNIHL-MEMLXQNLSA-N
|
| 26857 |
+
rxn:3:43780:7081:67879,C[Si](C)(C)OCCCNC(=O)CC#Cc1cccc(-n2cc([C@H]3CC[C@H](C(F)F)CC3)nn2)c1,BKZVTFFQKVVMNO-MEMLXQNLSA-N
|
| 26858 |
+
rxn:3:43780:7558:116907,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1cc(OC)cc(OC)c1,BTPLHHFVFYGVSV-PGUFJCEWSA-N
|
| 26859 |
+
rxn:3:43780:7558:121163,CC[C@@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1ccc(OC)cc1,DQKDBHABETYVIA-UUWRZZSWSA-N
|
| 26860 |
+
rxn:3:43780:7558:135020,CC[C@H](NC(=O)CC#Cc1cccc(-n2cc(C=C(C)C=CC3=C(C)CCCC3(C)C)nn2)c1)c1cccc(OC)c1,DPZUGIMMNGQEAA-UMSFTDKQSA-N
|
| 26861 |
+
rxn:3:43780:7852:65834,CCCC(CCC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCN(C)CC3)nn2)c1,VUKFFPWSIRIKNW-UHFFFAOYSA-N
|
| 26862 |
+
rxn:3:43780:7852:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCN(C)CC3)nn2)c1,VQVWLJDUROBEAF-UHFFFAOYSA-N
|
| 26863 |
+
rxn:3:43780:8620:126598,COCCC(NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1sccc1C,BEUYVTJCOHMWCA-UHFFFAOYSA-N
|
| 26864 |
+
rxn:3:43780:8634:68856,CCCCC(CC)NC(=O)CC#Cc1cccc(-n2cc(C3(N(C)C)CCC3)nn2)c1,XSPKHCFMGAIOPX-UHFFFAOYSA-N
|
| 26865 |
+
rxn:3:43780:981:66173,CCOC1CC(NC(=O)CC#Cc2cccc(-n3cc(C(C)N(C)C)nn3)c2)C12CCC2,VZLOKJMQWCAJKN-UHFFFAOYSA-N
|
| 26866 |
+
rxn:3:44002:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CCC#Cc3ccc(C(=O)NC(c4ccc(OC)cc4)C4CC4)s3)nn2)C1,FHRVJKYTDRBNTO-OPMJYIBYSA-N
|
| 26867 |
+
rxn:3:44517:35117:69561,C=C(C)c1cn(CCC#Cc2ccc(C(=O)NCC(OCC)C3CCC(F)(F)CC3)cn2)nn1,VFWBBGUATUUSKX-UHFFFAOYSA-N
|
| 26868 |
+
rxn:3:44520:35051:134908,CCCc1ccc(-c2cn(CCC#Cc3ccnc(C(=O)NCC4CC(C)(C)CC(F)(F)C4)c3)nn2)cc1,HXNZAPGGZUKAOS-UHFFFAOYSA-N
|
| 26869 |
+
rxn:3:44824:12214:68958,CCN1C[C@@H](F)[C@H](c2cn(CCC#Cc3nccc(C(=O)NC(c4ccc(OC)cc4)C4CC4)c3F)nn2)C1,JHNBNUNTUUDRAC-KDKXARBFSA-N
|
| 26870 |
+
rxn:3:45142:12214:69875,CCN1C[C@@H](F)[C@H](c2cn(-c3ccc(OCC(=O)NCC(C)(C)C(C)C)cc3)nn2)C1,XEPHYLJUPXPZRM-WOJBJXKFSA-N
|
| 26871 |
+
rxn:3:45332:35117:68267,C=C(C)c1cn(-c2ccccc2C=CCC(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,AHABFEIXNLZGNE-UHFFFAOYSA-N
|
| 26872 |
+
rxn:3:45333:12214:69760,CCN1C[C@@H](F)[C@H](c2cn(-c3cccc(C=CCC(=O)NC(C)(C)C4CCO4)c3)nn2)C1,PSKGLLMWJAYVFP-JLMWTWJWSA-N
|
| 26873 |
+
rxn:3:45840:35117:68267,C=C(C)c1cn(CCC=Cc2cccc(C(=O)NC3(CCOC)CCC(F)(F)CC3)c2)nn1,ZYWSIIIPGFOSGE-UHFFFAOYSA-N
|
| 26874 |
+
rxn:3:46054:8620:65938,CN(C)C1(c2cn(CCC=Cc3ccc(C(=O)NCC4COCCS(=O)(=O)C4)nc3)nn2)CCC(F)(F)CC1,PULIHDJECPGUMQ-UHFFFAOYSA-N
|
| 26875 |
+
rxn:3:48005:8620:66982,CCCCC(NC(=O)c1sccc1-n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1)c1ccc(C)cc1C,YCRAHYTWGYBNSA-UHFFFAOYSA-N
|
| 26876 |
+
rxn:3:490:62781:124198,CC(C)(C)[Si](C)(C)c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1,VSZGZDWTFLGZLS-UHFFFAOYSA-N
|
| 26877 |
+
rxn:3:49156:8620:70318,COCC(C(=O)NCCC1CC1c1ccc2ccsc2c1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,SHXVFHJRSCZSKJ-UHFFFAOYSA-N
|
| 26878 |
+
rxn:3:49499:27942:67754,CN(C)c1ccncc1-c1cn(C[C@H]2C[C@H](C(=O)NCC(F)(F)CCC3CC3)C2)nn1,GZRDPEHEOCODMT-QAQDUYKDSA-N
|
| 26879 |
+
rxn:3:49507:5180:116232,CCCC(Cc1cn(-c2ccccc2C#CC(=O)NC(C)(C)CC(F)(F)C2CCCC2)nn1)c1cccnc1,ZOVUTIOKQRWUEK-UHFFFAOYSA-N
|
| 26880 |
+
rxn:3:49507:8620:137180,CCCC(NC(=O)C#Cc1ccccc1-n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1)c1sccc1C,RSIJFMWIGJAWQS-UHFFFAOYSA-N
|
| 26881 |
+
rxn:3:49937:27942:69105,CN(C)c1ccncc1-c1cn(CC2C(c3cn[nH]c3C(=O)NCC3(CC4CC4)CC3)C2(F)F)nn1,ZONOZXPOOUEQIB-UHFFFAOYSA-N
|
| 26882 |
+
rxn:3:49937:35051:78111,CCCc1ccc(-c2cn(CC3C(c4cn[nH]c4C(=O)N[C@]4(C)CC[C@@H](OCC)CC4)C3(F)F)nn2)cc1,UWWOSSSYZLTUGA-ICIVRIICSA-N
|
| 26883 |
+
rxn:3:49937:35117:66173,C=C(C)c1cn(CC2C(c3cn[nH]c3C(=O)NC3CC(OCC)C34CCC4)C2(F)F)nn1,RARUQTZSIUYQQR-UHFFFAOYSA-N
|
| 26884 |
+
rxn:3:50319:13895:128176,CCCCC[C@H]1CC[C@@H](c2cn(CC3C(c4cnc(C(=O)Nc5ccc6oc(=O)oc6c5)nc4)C3(F)F)nn2)CC1,DJRJPUHLKBBACU-WJARWMRMSA-N
|
| 26885 |
+
rxn:3:50439:11519:66389,C=C(C)C[N+](C)(C)Cc1cn(CC2C(c3ccnc(C(=O)NC4CCCCC(OC)C4)c3)C2(F)F)nn1,ZDJALRKYEFHNIO-UHFFFAOYSA-O
|
| 26886 |
+
rxn:3:51006:16887:93749,CCC(C)n1ncc(-c2cn(CC3C(c4cc(C)c(C(=O)Nc5cscc5OC)c(C)c4)C3(F)F)nn2)c1C1CCCC1,PPTHJGNUQCCYFO-UHFFFAOYSA-N
|
| 26887 |
+
rxn:3:51059:15501:71470,CCC(C)n1cc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5ccsc5)c4)C3(F)F)nn2)c(C2CCCC2)n1,XZTDHTWSWQMOTK-UHFFFAOYSA-N
|
| 26888 |
+
rxn:3:51059:16887:82949,CCC(C)n1ncc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5cccc6sccc56)c4)C3(F)F)nn2)c1C1CCCC1,JFMYZKSITDEYNU-UHFFFAOYSA-N
|
| 26889 |
+
rxn:3:51059:17724:130515,CCCn1nc(-c2cn(CC3C(c4cc(OC)cc(C(=O)Nc5ccc6sccc6c5)c4)C3(F)F)nn2)cc1C1CCCCC1,GQGCQJYUNAZXCZ-UHFFFAOYSA-N
|
| 26890 |
+
rxn:3:51059:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc(OC)cc(C(=O)Nc4ccc5oc(=O)oc5c4)c3)C2(F)F)nn1,UXKYEJVZDRFPGD-UHFFFAOYSA-N
|
| 26891 |
+
rxn:3:51059:28204:109510,C=C1CN2CCCC2(c2cn(CC3C(c4cc(OC)cc(C(=O)NC(c5cccs5)c5ccccc5OC)c4)C3(F)F)nn2)C1,WUGHVESFQMGHTR-UHFFFAOYSA-N
|
| 26892 |
+
rxn:3:51060:16887:154302,CCC(C)n1ncc(-c2cn(CC3C(c4ccc(C(=O)Nc5ccc6cc(C)c(=O)oc6c5)c(OC)c4)C3(F)F)nn2)c1C1CCCC1,MFOLIHVLSKDPEV-UHFFFAOYSA-N
|
| 26893 |
+
rxn:3:51060:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc(C(=O)Nc4ccc5oc(=O)oc5c4)c(OC)c3)C2(F)F)nn1,ROXIHQBIDBLXPZ-UHFFFAOYSA-N
|
| 26894 |
+
rxn:3:51062:15501:71470,CCC(C)n1cc(-c2cn(CC3C(c4cc(OC)ccc4C(=O)Nc4ccsc4)C3(F)F)nn2)c(C2CCCC2)n1,HCPMFEAVZGORLL-UHFFFAOYSA-N
|
| 26895 |
+
rxn:3:51062:17724:130515,CCCn1nc(-c2cn(CC3C(c4cc(OC)ccc4C(=O)Nc4ccc5sccc5c4)C3(F)F)nn2)cc1C1CCCCC1,YWZCEDNSHSXBHN-UHFFFAOYSA-N
|
| 26896 |
+
rxn:3:51062:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3cc(OC)ccc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,HNBDRRULGRKXMC-UHFFFAOYSA-N
|
| 26897 |
+
rxn:3:51063:16887:127944,CCC(C)n1ncc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4cccc5ccsc45)C3(F)F)nn2)c1C1CCCC1,BXDOASZZMVCAHI-UHFFFAOYSA-N
|
| 26898 |
+
rxn:3:51063:17724:130515,CCCn1nc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4ccc5sccc5c4)C3(F)F)nn2)cc1C1CCCCC1,SOAHPRFUWAEHPO-UHFFFAOYSA-N
|
| 26899 |
+
rxn:3:51063:17724:71470,CCCn1nc(-c2cn(CC3C(c4ccc(OC)cc4C(=O)Nc4ccsc4)C3(F)F)nn2)cc1C1CCCCC1,XTBHFBJCSHSPNB-UHFFFAOYSA-N
|
| 26900 |
+
rxn:3:51063:21974:128176,CCC(C)n1nc(C2CCCC2)cc1-c1cn(CC2C(c3ccc(OC)cc3C(=O)Nc3ccc4oc(=O)oc4c3)C2(F)F)nn1,OONTYPSVXKNYNL-UHFFFAOYSA-N
|
| 26901 |
+
rxn:3:51063:7692:83714,CCc1cc2c(-c3cn(CC4C(c5ccc(OC)cc5C(=O)NCC5CC(OC)CC(C)(C)C5)C4(F)F)nn3)ncnc2s1,NCDQUMWAUGEMMR-UHFFFAOYSA-N
|
| 26902 |
+
rxn:3:52096:27942:66627,CN(C)c1ccncc1-c1cn(CCC2CC2c2ncc(C(=O)NC3CC(F)(F)CCC3(C)C)s2)nn1,SQVIFPUOXYBASK-UHFFFAOYSA-N
|
| 26903 |
+
rxn:3:52239:35117:68267,C=C(C)c1cn(CCC2CC2c2ccccc2C(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,JBXYEEXIZJQEQA-UHFFFAOYSA-N
|
| 26904 |
+
rxn:3:52484:8620:65938,CN(C)C1(c2cn(CCC3CC3c3ccc(C(=O)NCC4COCCS(=O)(=O)C4)nc3)nn2)CCC(F)(F)CC1,DEGJVLXKTLZSFI-UHFFFAOYSA-N
|
| 26905 |
+
rxn:3:52486:8620:80289,CCC(NC(=O)c1ccnc(C2CC2CCn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1cscc1C,MMHRJGLDTGUGBI-UHFFFAOYSA-N
|
| 26906 |
+
rxn:3:52489:16799:69106,CCc1c(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)cnn1C1CC1,SVTOXYCLPDBGPG-UHFFFAOYSA-N
|
| 26907 |
+
rxn:3:52489:17566:69106,CCc1cc(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)nn1C1CCC1,NBHGGUMNHQGLBF-UHFFFAOYSA-N
|
| 26908 |
+
rxn:3:52489:6136:69106,CCn1ncc(-c2cn(CCC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)c1C1CCC1,QNZZTFALUCUCDH-UHFFFAOYSA-N
|
| 26909 |
+
rxn:3:53150:35117:68267,C=C(C)c1cn(CCC2CC2c2cccc3sc(C(=O)NC4(CCOC)CCC(F)(F)CC4)cc23)nn1,RCFVAMCFYBZCDH-UHFFFAOYSA-N
|
| 26910 |
+
rxn:3:5463:65592:102749,C[Si](C)(C)C#Cc1cccc(CNC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)c1,LONZVFJXDLLVFV-UHFFFAOYSA-N
|
| 26911 |
+
rxn:3:5463:65592:136961,CCSc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,CLCBJAMESSHNAT-UHFFFAOYSA-N
|
| 26912 |
+
rxn:3:5463:65592:139880,C[Si](C)(C)OCc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,ONUSOPPKWAUGNM-UHFFFAOYSA-N
|
| 26913 |
+
rxn:3:5463:65592:140338,C[Si](C)(C)C#Cc1ccc(CNC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,GRSRZEOHNPHEJN-UHFFFAOYSA-N
|
| 26914 |
+
rxn:3:5463:65592:72614,C[Si](C)(C)Oc1ccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)cc1,ROGZXHBMHBXQAN-UHFFFAOYSA-N
|
| 26915 |
+
rxn:3:5463:65592:75723,COCC(NC(=O)Cc1nnc(N2CC(Cn3cc(C4CC5(C4)CC(F)(F)C5)nn3)CC2=O)[nH]1)c1ccco1,LBFNBCKSJPTVSJ-UHFFFAOYSA-N
|
| 26916 |
+
rxn:3:5463:65592:80841,CCCSc1cccc(NC(=O)Cc2nnc(N3CC(Cn4cc(C5CC6(C5)CC(F)(F)C6)nn4)CC3=O)[nH]2)c1,AZOAWIZVYYNBQZ-UHFFFAOYSA-N
|
| 26917 |
+
rxn:3:5474:59852:90515,CN(C)c1ncc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)cn1,BWTUWPVJZVNEDA-WAVVVPOPSA-N
|
| 26918 |
+
rxn:3:5477:59852:121443,CS(=O)(=O)ONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5(F)F)c4)nn3)C2)CCO1,ALMGWZGJJDVURP-ISMHFCACSA-N
|
| 26919 |
+
rxn:3:5477:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4cnn(C5CC5(F)F)c4)nn3)C2)CCO1,UAPLCGNJMYYSMW-SPNPKDGLSA-N
|
| 26920 |
+
rxn:3:55465:27942:66627,CN(C)c1ccncc1-c1cn(CC2CC2c2ncc(C(=O)NC3CC(F)(F)CCC3(C)C)s2)nn1,KNSSDLVQQDKEMS-UHFFFAOYSA-N
|
| 26921 |
+
rxn:3:55877:17653:69106,CCCc1cc(-c2cn(CC3CC3c3cncc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)nn1C1CCCC1,MPTOVOKHNSQVQL-UHFFFAOYSA-N
|
| 26922 |
+
rxn:3:55878:35117:69561,C=C(C)c1cn(CC2CC2c2ccc(C(=O)NCC(OCC)C3CCC(F)(F)CC3)nc2)nn1,OKIRNFMJDZMTKL-UHFFFAOYSA-N
|
| 26923 |
+
rxn:3:55881:16799:69106,CCc1c(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)cnn1C1CC1,WDYMFARBJIJJDG-UHFFFAOYSA-N
|
| 26924 |
+
rxn:3:55881:16894:69106,CCCc1c(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)cnn1C1CCC1,KKGKVWVEDDCNQF-UHFFFAOYSA-N
|
| 26925 |
+
rxn:3:55881:17566:69106,CCc1cc(-c2cn(CC3CC3c3cc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)ccn3)nn2)nn1C1CCC1,BPDBEBWVVTWJBO-UHFFFAOYSA-N
|
| 26926 |
+
rxn:3:55881:8620:68011,CCCC(NC(=O)c1ccnc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1ccoc1,MFTXNPZJOJYUHZ-UHFFFAOYSA-N
|
| 26927 |
+
rxn:3:55883:16894:69106,CCCc1c(-c2cn(CC3CC3c3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)cnn1C1CCC1,GXIZZWWVKUENQF-UHFFFAOYSA-N
|
| 26928 |
+
rxn:3:55883:17566:69106,CCc1cc(-c2cn(CC3CC3c3cccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)n3)nn2)nn1C1CCC1,WNGVDBJWTWZJDG-UHFFFAOYSA-N
|
| 26929 |
+
rxn:3:55883:1911:80299,C=CCN(C)Cc1cn(CC2CC2c2cccc(C(=O)NC(C)(C)C3CCCC(F)(F)C3)n2)nn1,PWAQJLOEJTYOKG-UHFFFAOYSA-N
|
| 26930 |
+
rxn:3:55883:32592:134908,CN(C)c1cc(-c2cn(CC3CC3c3cccc(C(=O)NCC4CC(C)(C)CC(F)(F)C4)n3)nn2)ccn1,MOLFAVMFFJELBU-UHFFFAOYSA-N
|
| 26931 |
+
rxn:3:55883:8620:80289,CCC(NC(=O)c1cccc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)n1)c1cscc1C,SXSDZVVZRTWROR-UHFFFAOYSA-N
|
| 26932 |
+
rxn:3:55883:9653:115147,Cc1ccc2c(ccn2Cc2cn(CC3CC3c3cccc(C(=O)NC(C)(C)C4CCC(F)(F)CC4)n3)nn2)c1,NMNLIUZUMXURFA-UHFFFAOYSA-N
|
| 26933 |
+
rxn:3:55884:16894:69106,CCCc1c(-c2cn(CC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)cnn1C1CCC1,PSSAEOUEGJIAEL-UHFFFAOYSA-N
|
| 26934 |
+
rxn:3:55884:17566:69106,CCc1cc(-c2cn(CC3CC3c3ccc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)cn3)nn2)nn1C1CCC1,NWXSIHAQOOGOLF-UHFFFAOYSA-N
|
| 26935 |
+
rxn:3:55884:1911:80299,C=CCN(C)Cc1cn(CC2CC2c2ccc(C(=O)NC(C)(C)C3CCCC(F)(F)C3)cn2)nn1,SAKNLVYUKAVWEB-UHFFFAOYSA-N
|
| 26936 |
+
rxn:3:55887:17724:69106,CCCn1nc(-c2cn(CC3CC3c3ccnc(C(=O)NC4CCC(F)(F)c5cc(OC)ccc54)c3)nn2)cc1C1CCCCC1,AKFIHLZXSAUPHG-UHFFFAOYSA-N
|
| 26937 |
+
rxn:3:55887:8620:68011,CCCC(NC(=O)c1cc(C2CC2Cn2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)ccn1)c1ccoc1,AOQJKZHTMLLATM-UHFFFAOYSA-N
|
| 26938 |
+
rxn:3:56163:35117:123778,C=C(C)c1cn(CC2CC2c2cccc(CC(=O)NC3(COC)CCC(F)(F)CC3)c2)nn1,ORVISUGROWKHDY-UHFFFAOYSA-N
|
| 26939 |
+
rxn:3:56330:16799:69106,CCc1c(-c2cn(CC3CC3c3ccc(CC(=O)NC4CCC(F)(F)c5cc(OC)ccc54)nc3)nn2)cnn1C1CC1,PFYKDWSGWZGDRZ-UHFFFAOYSA-N
|
| 26940 |
+
rxn:3:56436:2259:68928,CCN1CCC(c2cn(CC3CC3c3ccc(CC(=O)N[C@@H](c4cccs4)C4CCCCC4)c(F)c3)nn2)CC1,KSQAFJIAVOBZCX-GNVRUEKJSA-N
|
| 26941 |
+
rxn:3:56436:23158:68127,CCN1CCC(c2cn(CC3CC3c3ccc(CC(=O)N[C@@H](c4ccoc4)C4CCCC4)c(F)c3)nn2)C1,STFZPWTXUOKNKX-WBTPJJINSA-N
|
| 26942 |
+
rxn:3:56722:35117:68267,C=C(C)c1cn(CC2CC2c2cccc3sc(C(=O)NC4(CCOC)CCC(F)(F)CC4)cc23)nn1,NRYIGIKVTNKDCY-UHFFFAOYSA-N
|
| 26943 |
+
rxn:3:57297:8620:69642,CC(Cc1ccsc1)NC(=O)c1cscc1CCCn1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LFJUBCMBIFIYEV-UHFFFAOYSA-N
|
| 26944 |
+
rxn:3:5864:59852:84875,CN(C)c1ccnc2ccc(-c3cn([C@@H]4C=CC[C@@H](C(=O)N5CCOC(C(=O)NC6CCC[Si](C)(C)CC6)C5)C4)nn3)cc12,GPTOLQFXODQPAE-PHVZQCMASA-N
|
| 26945 |
+
rxn:3:59852:35117:132256,C=C(C)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccc(OC5CC5(F)F)c4)C3)C2)nn1,HKYVJEYURRGVKO-POEPRGHXSA-N
|
| 26946 |
+
rxn:3:59852:39288:100874,CCN(C)Cc1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NCC4(OC)CS(=O)(=O)C4)C3)C2)nn1,CWCSRQCNRMKATB-RIBPFEIKSA-N
|
| 26947 |
+
rxn:3:60038:8620:123623,CCC(CC)C(NC(=O)C1CCCC(n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)C1)c1ccccc1C,BJPBRNUASWGNCH-UHFFFAOYSA-N
|
| 26948 |
+
rxn:3:60054:8620:76425,CCS(=O)(=O)CCCNC(=O)C12CC(Cn3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)(C1)C2,XFTZUMFSCPQTKJ-UHFFFAOYSA-N
|
| 26949 |
+
rxn:3:60580:8620:68317,C=CC[C@@H](C(=O)NC(C)(C)CSc1ccc(C)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LQAUNPNEHVYDDH-NRFANRHFSA-N
|
| 26950 |
+
rxn:3:60580:8620:68525,C=CC[C@@H](C(=O)NCC#Cc1csc(COC)c1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,SUYNYPTUAXJRAM-FQEVSTJZSA-N
|
| 26951 |
+
rxn:3:60582:15470:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,ZZJRNDMRUURWFF-QXXBNALYSA-N
|
| 26952 |
+
rxn:3:60582:15470:95501,C=CC[C@H](C(=O)NC1CCC1(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,BKJBLLUXTIWRBR-MRTLOADZSA-N
|
| 26953 |
+
rxn:3:60582:17566:69106,C=CC[C@H](C(=O)NC1CCC(F)(F)c2cc(OC)ccc21)n1cc(-c2cc(CC)n(C3CCC3)n2)nn1,YKALORAULBMPFG-NRWPOFLRSA-N
|
| 26954 |
+
rxn:3:60582:2850:115749,C=CC[C@H](C(=O)N[C@H](CC)C1CC(F)(F)CCO1)n1cc(-c2cccnc2N(C)C)nn1,YTSFRKCDEANAMD-SYUDBMKNSA-N
|
| 26955 |
+
rxn:3:60582:31814:120779,C=CC[C@H](C(=O)NC1CC2C(C1)C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,FLFSZVDZDIITOF-MLGYPOCJSA-N
|
| 26956 |
+
rxn:3:60582:31814:77803,C=CC[C@H](C(=O)NC1CCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,MPHVZURBILHBKK-SWAPUOLTSA-N
|
| 26957 |
+
rxn:3:60582:31814:85432,C=CC[C@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,NKEIBTBQPZVEJN-UKEPKTAJSA-N
|
| 26958 |
+
rxn:3:60582:4461:67374,C=CC[C@H](C(=O)NC(C)(C)C1CCC(F)(F)C1)n1cc(CN(C)C(C)c2cccs2)nn1,DBRKESGTKUFPNE-FAFZWHIHSA-N
|
| 26959 |
+
rxn:3:60582:8620:66873,C=CC[C@H](C(=O)NC1CC1C1CC1c1ccc(OC)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,QXXRTSXYQDKCRQ-AQPGXQJPSA-N
|
| 26960 |
+
rxn:3:60582:8620:68317,C=CC[C@H](C(=O)NC(C)(C)CSc1ccc(C)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,LQAUNPNEHVYDDH-OAQYLSRUSA-N
|
| 26961 |
+
rxn:3:60588:35117:68267,C=C(C)c1cn([C@H](CC(C)C)C(=O)NC2(CCOC)CCC(F)(F)CC2)nn1,CRKMLIYBLNTVAL-QGZVFWFLSA-N
|
| 26962 |
+
rxn:3:61926:32185:102415,CC(C)(C)OC[C@H](C(=O)NC1CC1c1ccco1)n1cc(C2(CN3CCC(F)C3)CC2)nn1,GWEHJXYRQLXRPL-GLCUGAKSSA-N
|
| 26963 |
+
rxn:3:61926:32185:120272,CC(C)(C)OC[C@H](C(=O)NCc1ccc[se]1)n1cc(C2(CN3CCC(F)C3)CC2)nn1,JWBPHFFQKZPTGO-UHUGOGIASA-N
|
| 26964 |
+
rxn:3:61926:7852:118582,CC(CNC(=O)[C@@H](COC(C)(C)C)n1cc(C2(N(C)C)CCN(C)CC2)nn1)c1cccs1,QYYRVZYTHPJIKC-MUMRKEEXSA-N
|
| 26965 |
+
rxn:3:62154:1911:123778,C=CCN(C)Cc1cn([C@@H](C)C(=O)NC2(COC)CCC(F)(F)CC2)nn1,ZIXOIZGQLOJIRP-AWEZNQCLSA-N
|
| 26966 |
+
rxn:3:62154:4461:68267,COCCC1(NC(=O)[C@H](C)n2cc(CN(C)C(C)c3cccs3)nn2)CCC(F)(F)CC1,BQWQGKIJSBPGTI-DJNXLDHESA-N
|
| 26967 |
+
rxn:3:62284:12214:69795,CCN1C[C@@H](F)[C@H](c2cn([C@@H](CC(C)C)C(=O)N[C@H]3C[C@H](c4ccc(OC)cc4)C3)nn2)C1,FYEBJZAVXLCEAE-JQILPUHPSA-N
|
| 26968 |
+
rxn:3:62284:15470:85432,CC(C)C[C@@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(-c2cn(CCN(C)C)nc2C2CCC2)nn1,AEGCUTRIUIGHMB-HQQWZMMQSA-N
|
| 26969 |
+
rxn:3:62284:31814:77803,CC(C)C[C@@H](C(=O)NC1CCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,RFTGOYWHNIJVNM-LETWWHAPSA-N
|
| 26970 |
+
rxn:3:62284:31814:85432,CC(C)C[C@@H](C(=O)NC1CCCC2C1C2(F)F)n1cc(C2(CN(C)C)CC2)nn1,FBSYAGILJJMLJG-HVEGKCCWSA-N
|
| 26971 |
+
rxn:3:62284:31814:94698,CC(C)C[C@@H](C(=O)N[C@@]1(C)CC1(F)F)n1cc(C2(CN(C)C)CC2)nn1,BGKNNNGTFILIMV-BBRMVZONSA-N
|
| 26972 |
+
rxn:3:62284:709:75644,CC=Cc1cn([C@@H](CC(C)C)C(=O)NCC(F)(F)C(OC)C2CC2)nn1,RASUPJJQCSWROB-VYRBHSGPSA-N
|
| 26973 |
+
rxn:3:62466:15624:73257,CCC(CC)n1cc(-c2cn(C3CCC(C(=O)NSc4ccc(OC)cc4OC)C4CCC43)nn2)c(C(F)(F)F)n1,ZRWHHQGXVVUAFK-UHFFFAOYSA-N
|
| 26974 |
+
rxn:3:62466:18030:96083,C[Si](C)(C)C#Cc1ccccc1NC(=O)C1CCC(n2cc(-c3c4c(nn3C3CCCCC3)CCCC4)nn2)C2CCC12,MQNXFCKZJIOEJL-UHFFFAOYSA-N
|
| 26975 |
+
rxn:3:62466:23188:99246,N#CC1(Cc2cn(C3CCC(C(=O)Nc4ccc(S(=O)(=O)OCC5CC5)cc4)C4CCC43)nn2)CC(F)(F)C1,AFGACDVBVJZXOO-UHFFFAOYSA-N
|
| 26976 |
+
rxn:3:62466:29726:148343,C[Si](C)(C)C#Cc1ccc2cc(NC(=O)C3CCC(n4cc(C5=CCCCCCCCCCC5)nn4)C4CCC34)ccc2c1,IIBSTBKJJSGOSJ-UHFFFAOYSA-N
|
| 26977 |
+
rxn:3:62466:5864:66627,CN(C)c1ccnc2ccc(-c3cn(C4CCC(C(=O)NC5CC(F)(F)CCC5(C)C)C5CCC54)nn3)cc12,HJEMISRCXAMJOL-UHFFFAOYSA-N
|
| 26978 |
+
rxn:3:62466:6257:151783,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)Nc5ccc(OS(=O)(=O)F)c6ccccc56)C5CCC54)nn3)ncn2)CC1,MVPPGKLCOMUAOS-UHFFFAOYSA-N
|
| 26979 |
+
rxn:3:62466:6257:92547,CN1CCC(N(C)c2cc(-c3cn(C4CCC(C(=O)Nc5ccc(OS(=O)(=O)F)cc5)C5CCC54)nn3)ncn2)CC1,YOKUFODPQHFFLJ-UHFFFAOYSA-N
|
| 26980 |
+
rxn:3:62466:8620:68359,CCC(CC)Cc1ccc(NC(=O)C2CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C3CCC23)cc1,SURGVUPJLFBNJS-UHFFFAOYSA-N
|
| 26981 |
+
rxn:3:62466:8680:74635,CCCOS(=O)(=O)c1ccc(NC(=O)C2CCC(n3cc(C4CC5(CCC(F)(F)CC5)C4)nn3)C3CCC23)cc1,XHDFQYJRZCJYDM-UHFFFAOYSA-N
|
| 26982 |
+
rxn:3:62466:9981:69509,CCOC1(CNC(=O)C2CCC(n3cc(CSc4nc(-c5ccccn5)cs4)nn3)C3CCC23)CCC(F)(F)CC1,WTKGEHXPNWCJHW-UHFFFAOYSA-N
|
| 26983 |
+
rxn:3:62646:5265:134358,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC(C)=[Se])C(C)(C)C)C2)nn1,JUANQOCBRLYXBP-UHFFFAOYSA-N
|
| 26984 |
+
rxn:3:62646:5265:137368,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC(F)C3)C(C)(C)C)C2)nn1,NJEXBALLZIDREZ-UHFFFAOYSA-N
|
| 26985 |
+
rxn:3:62646:5265:95827,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COC3)C(C)(C)C)C2)nn1,HOTXQTVJZPLMPB-UHFFFAOYSA-N
|
| 26986 |
+
rxn:3:62646:5274:126814,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)N[C@H]3C[C@@H](F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-QRLCNCQWSA-N
|
| 26987 |
+
rxn:3:62646:5274:137368,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3CC(F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-UHFFFAOYSA-N
|
| 26988 |
+
rxn:3:62646:5274:71646,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)N[C@H]3C[C@H](F)C3)C(C)(C)C)C2)nn1,JACPKJHBYAVTFT-LTTSWJAPSA-N
|
| 26989 |
+
rxn:3:62646:5274:95827,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NCC3(F)COC3)C(C)(C)C)C2)nn1,BWZZOLSIQCPLRL-UHFFFAOYSA-N
|
| 26990 |
+
rxn:3:62646:5274:96161,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3COCC(F)(F)C3)C(C)(C)C)C2)nn1,NJDUBZXQJULQSJ-UHFFFAOYSA-N
|
| 26991 |
+
rxn:3:62653:5265:73149,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC[Si](C)(C)C)C(C)C)C2)nn1,AEHAUKUHLWSTNL-UHFFFAOYSA-N
|
| 26992 |
+
rxn:3:62653:5274:73149,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC[Si](C)(C)C)C(C)C)C2)nn1,BCNOZYLXTDUDFX-UHFFFAOYSA-N
|
| 26993 |
+
rxn:3:62653:5274:96161,CC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(C(C(=O)NC3COCC(F)(F)C3)C(C)C)C2)nn1,UMUZYKSQUDUWQJ-UHFFFAOYSA-N
|
| 26994 |
+
rxn:3:62669:5265:130880,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(CC(C)C(=O)NCC(C)(C)F)C2)nn1,OLWBBBCHTIBPSX-UHFFFAOYSA-N
|
| 26995 |
+
rxn:3:62669:5265:73149,CCC1Sc2ccccc2N=C1SCc1cn(CC2CC(=O)N(CC(C)C(=O)NC[Si](C)(C)C)C2)nn1,PGRJHQLIKUUGAE-UHFFFAOYSA-N
|
| 26996 |
+
rxn:3:62669:5274:73149,CC(CN1CC(Cn2cc(CSC3=Nc4ccccc4SC3C)nn2)CC1=O)C(=O)NC[Si](C)(C)C,YQSIZFKQFMAYTI-UHFFFAOYSA-N
|
| 26997 |
+
rxn:3:62669:6164:124198,CC(CN1CC(Cn2cc(C3CC[Si](C)(C)C3)nn2)CC1=O)C(=O)NCCC#Cc1ccsc1,FHDSYFIVLSBBJH-UHFFFAOYSA-N
|
| 26998 |
+
rxn:3:62669:7121:75840,CC(CN1CC(Cn2cc([C@@H]3C[C@@H]3CN(C)C)nn2)CC1=O)C(=O)NCC#Cc1ccsc1,SMKIIIYDJQCZPN-CGNZLSCGSA-N
|
| 26999 |
+
rxn:3:62722:37767:138685,CCC(C(=O)Nc1ccccc1S(=O)(=O)OC)N1CC(Cn2cc(C3=CC[C@H]4C[C@@H]3C4(C)C)nn2)CC1=O,DDIWNPMWDAYXHB-CYMONXJESA-N
|
| 27000 |
+
rxn:3:62722:4387:66627,CCC(C(=O)NC1CC(F)(F)CCC1(C)C)N1CC(Cn2cc(CSc3nnnn3-c3ccccc3)nn2)CC1=O,MAIAKLSZLYDMGD-UHFFFAOYSA-N
|
| 27001 |
+
rxn:3:62722:5274:126389,CCC(C(=O)NC(C)(CC)CC)N1CC(Cn2cc(CSC3=Nc4ccccc4SC3C)nn2)CC1=O,XOMHHGMJSPWEMW-UHFFFAOYSA-N
|
| 27002 |
+
rxn:3:62722:7402:68267,CCC(C(=O)NC1(CCOC)CCC(F)(F)CC1)N1CC(Cn2cc(-c3cc4ccccn4n3)nn2)CC1=O,PAWXWEGLZPFFFS-UHFFFAOYSA-N
|
| 27003 |
+
rxn:3:62722:8614:108008,CCC(C(=O)N[C@@H]1CC[C@@H](OC)C[C@@H]1F)N1CC(Cn2cc(C(C(C)C)N(C)C)nn2)CC1=O,MMMKFXBOLFXJFV-RWILZLHUSA-N
|
| 27004 |
+
rxn:3:62722:8614:115668,CCC(C(=O)N[C@H]1CC[C@@H](OC)C[C@@H]1F)N1CC(Cn2cc(C(C(C)C)N(C)C)nn2)CC1=O,MMMKFXBOLFXJFV-PJHDBVTJSA-N
|
| 27005 |
+
rxn:3:62781:7121:124198,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1,DUUUVQHQRQCAIS-GDCYWBNYSA-N
|
| 27006 |
+
rxn:3:62781:7121:75840,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C(=O)NCC#Cc3ccsc3)C3CC3)C2)nn1,AOQWBFZPPDJQKS-PLMQIDHYSA-N
|
| 27007 |
+
rxn:3:62781:8607:124198,CN(C)C(c1cn(CC2CC(=O)N(C(C(=O)NCCC#Cc3ccsc3)C3CC3)C2)nn1)C1CC1,VQXHTXHXILQODT-UHFFFAOYSA-N
|
| 27008 |
+
rxn:3:62784:17887:84513,CCCc1ccnc(-n2nccc2-c2cn(CC3CC(=O)N(C(C(=O)NC4C5CC(F)(F)CC54)C4CCCCC4)C3)nn2)c1,KCJAOTDUFVIGEQ-UHFFFAOYSA-N
|
| 27009 |
+
rxn:3:62784:29586:117805,CC=C(C)c1cn(CC2CC(=O)N(C(C(=O)Nc3ccccc3S(=O)(=O)OCC)C3CCCCC3)C2)nn1,PKUSUHVIKXOEGN-UHFFFAOYSA-N
|
| 27010 |
+
rxn:3:62784:36914:92628,CCn1nccc1-c1cc(F)cc(-c2cn(CC3CC(=O)N(C(C(=O)Nc4csc5cc(OC)ccc45)C4CCCCC4)C3)nn2)c1,YHCQPTRKCXFHPL-UHFFFAOYSA-N
|
| 27011 |
+
rxn:3:62824:35117:84946,C=C(C)c1cn(CC2CC(=O)N([C@@H](C(=O)NCc3ccc(OS(=O)(=O)F)cc3)C3=CCC=CC3)C2)nn1,HJSVHSMKGXJBRW-JKSFWZLDSA-N
|
| 27012 |
+
rxn:3:62849:7121:75840,CN(C)C[C@H]1C[C@H]1c1cn(CC2CC(=O)N(C(C)(C)C(=O)NCC#Cc3ccsc3)C2)nn1,LZGNTBKUMBUIAL-FXJNCMGBSA-N
|
| 27013 |
+
rxn:3:62849:8607:75840,CN(C)C(c1cn(CC2CC(=O)N(C(C)(C)C(=O)NCC#Cc3ccsc3)C2)nn1)C1CC1,FAMTXWJXKMTLHW-UHFFFAOYSA-N
|
| 27014 |
+
rxn:3:6352:59852:135450,CS(=O)(=O)CCCCNC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,MPMYYAQXLPCRQT-LGJCEAAXSA-N
|
| 27015 |
+
rxn:3:6352:59852:72355,CS(=O)(=O)CCCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,IGGZQSJFDMBMOO-QNRNLVPOSA-N
|
| 27016 |
+
rxn:3:6352:59852:79002,CS(=O)(=O)CCONC(=O)C1CN(C(=O)[C@@H]2CC=C[C@@H](n3cc(-c4ccc5nnc(C(F)(F)F)n5n4)nn3)C2)CCO1,USTRATRWDZWAQL-QOYAAKSSSA-N
|
| 27017 |
+
rxn:3:6352:59852:93884,CS(=O)(=O)CC1(CNC(=O)C2CN(C(=O)[C@@H]3CC=C[C@@H](n4cc(-c5ccc6nnc(C(F)(F)F)n6n5)nn4)C3)CCO2)CC1,MBCHJGCBQWZLBD-LGJCEAAXSA-N
|
| 27018 |
+
rxn:3:6383:59852:128963,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NCC5(F)CCS(=O)(=O)CC5)C4)C3)nn2)ncn1,LOBPNSAYJKNHHR-IERKJGKXSA-N
|
| 27019 |
+
rxn:3:6383:59852:140472,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)NC5CCC(CS(=O)(=O)F)CC5)C4)C3)nn2)ncn1,ALOHKUGYZCGWHL-RYRIQDMGSA-N
|
| 27020 |
+
rxn:3:6383:59852:90515,CN(C)c1cc(-c2cn([C@@H]3C=CC[C@@H](C(=O)N4CCOC(C(=O)N[C@H]5CC[C@@H](CS(=O)(=O)F)CC5)C4)C3)nn2)ncn1,ALOHKUGYZCGWHL-HNHYWVBESA-N
|
| 27021 |
+
rxn:3:64126:6450:85572,C=C(C)Cn1cc(-c2cn(CC3CC(=O)N(C[C@H]4CC[C@H](C(=O)NC5c6ccc(OC)cc6SC5C)CC4)C3)nn2)cn1,QFSITKFCIKNQDC-JVGALNARSA-N
|
| 27022 |
+
rxn:3:64509:8620:69931,CC[C@@H](NC(=O)c1cncc(-n2cc(C3(N(C)C)CCC(F)(F)CC3)nn2)c1)c1cc(C)c(C)cc1C,ZOQUBQAOLLMKGC-XMMPIXPASA-N
|
| 27023 |
+
rxn:3:6513:59852:104288,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccccc4=O)C3)C2)nn1,ZJVWRFDLDPPNFR-FYQIFJIOSA-N
|
| 27024 |
+
rxn:3:6513:59852:70829,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CC4c4ccsc4)C3)C2)nn1,NJDIMWGSCNYWEZ-ZOUYUTFDSA-N
|
| 27025 |
+
rxn:3:6513:59852:80609,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)NC4CCc5sccc54)C3)C2)nn1,NVPSSNPWMQEGQT-NXMBOHNASA-N
|
| 27026 |
+
rxn:3:6513:59852:97485,CC(C)(CC(F)F)c1cn([C@@H]2C=CC[C@@H](C(=O)N3CCOC(C(=O)Nc4cccs4)C3)C2)nn1,HEROXBSLHMIZRP-YNPPLXCJSA-N
|
| 27027 |
+
rxn:3:65364:35117:69561,C=C(C)c1cn(CC2CC(=O)N(c3cccnc3C(=O)NCC(OCC)C3CCC(F)(F)CC3)C2)nn1,PCEQUYLJXFBIST-UHFFFAOYSA-N
|
| 27028 |
+
rxn:3:7558:49518:99234,C[Se]c1ccc(NC(=O)C2C(c3cccc(-n4cc(C=C(C)C=CC5=C(C)CCCC5(C)C)nn4)c3)C2(F)F)cc1,RWMCUKZJKPVADN-UHFFFAOYSA-N
|
| 27029 |
+
rxn:3:8620:59842:107177,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NCCC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,PYXIGVLMZIJKGA-OALUTQOASA-N
|
| 27030 |
+
rxn:3:8620:59842:89771,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NCCSC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,KMOLHATUWLOCTN-OALUTQOASA-N
|
| 27031 |
+
rxn:3:8620:59842:92433,CN(C)C1(c2cn([C@H]3C=CC[C@H](C(=O)NOCC[Si](C)(C)C)C3)nn2)CCC(F)(F)CC1,WSFHHLFLERGKRG-ROUUACIJSA-N
|
| 27032 |
+
rxn:3:8620:59937:127108,CCS(=O)(=O)CC(C)(C)CNC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2,LPPHMYIRJKFJOM-UHFFFAOYSA-N
|
| 27033 |
+
rxn:3:8620:59937:73149,CN(C)C1(c2cn(C3CCC4(C(=O)NC[Si](C)(C)C)CC34)nn2)CCC(F)(F)CC1,QKFBOIURFQCBJD-UHFFFAOYSA-N
|
| 27034 |
+
rxn:3:8620:59937:73289,CCCCC(NC(=O)C12CCC(n3cc(C4(N(C)C)CCC(F)(F)CC4)nn3)C1C2)c1ccc2ccccc2c1,ZGHUFNSIVIXDBL-UHFFFAOYSA-N
|
| 27035 |
+
rxn:3:981:62646:70417,CC(c1cn(CC2CC(=O)N(C(C(=O)NCC(F)(F)C34CC(C3)C4)C(C)(C)C)C2)nn1)N(C)C,MQTSDDQYBAYRJY-UHFFFAOYSA-N
|