Added 102 molecules from epoch 17444 for Q6P6W3
Browse files- Q6P6W3_molecules.csv +102 -0
Q6P6W3_molecules.csv
CHANGED
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@@ -32749,3 +32749,105 @@ rxn:2:94581:147728,COC1(C)CCN(c2ccc(NC(C)SCC3C(c4ccc(C(C)=O)nc4)C3(F)F)nc2)CC1,Y
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| 32749 |
rxn:2:95027:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCc1coc(CN(C)C2CCCC2)c1,LKLACAZOYKNNIT-UHFFFAOYSA-N
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| 32750 |
rxn:2:97721:168561,CN(C1CCCCCC1)C(CNC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccco1,FKUNWRXSROIPLW-UHFFFAOYSA-N
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| 32751 |
rxn:2:99826:160431,COc1ccc(CN2CC[C@H](NC3CCCCCC3OS(=O)(=O)c3ccc(C)cc3)C2)cc1,SCXCXGMWVLMFBD-OIEGUCRUSA-N
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| 32749 |
rxn:2:95027:168553,Cc1nc2nc(N3CCCCC3)[nH]c(=O)c2cc1C(C)NCc1coc(CN(C)C2CCCC2)c1,LKLACAZOYKNNIT-UHFFFAOYSA-N
|
| 32750 |
rxn:2:97721:168561,CN(C1CCCCCC1)C(CNC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccco1,FKUNWRXSROIPLW-UHFFFAOYSA-N
|
| 32751 |
rxn:2:99826:160431,COc1ccc(CN2CC[C@H](NC3CCCCCC3OS(=O)(=O)c3ccc(C)cc3)C2)cc1,SCXCXGMWVLMFBD-OIEGUCRUSA-N
|
| 32752 |
+
rxn:3:40754:35117:67769,C=C(C)c1cn(CC=Cc2ccc(C(=O)NCCOC3(C)CCOCC3)c(F)c2)nn1,PAERAUAAKOTMDR-UHFFFAOYSA-N
|
| 32753 |
+
rxn:3:42427:16799:68309,CCc1c(-c2cn(CC#Cc3cccc(C(=O)NC45CCCCC(F)(C4)C5)c3)nn2)cnn1C1CC1,AWAJTIGGMIJOGF-UHFFFAOYSA-N
|
| 32754 |
+
rxn:3:42567:2259:67435,CCN1CCC(c2cn(CC#Cc3cnc(C(=O)NC(c4ccccc4)C4(O[Si](C)(C)C)CCC4)nc3)nn2)CC1,KASDMEZPUSLVFR-UHFFFAOYSA-N
|
| 32755 |
+
rxn:3:42567:23158:66810,CCN1CCC(c2cn(CC#Cc3cnc(C(=O)NC4CCC(F)(c5ccccc5)CC4)nc3)nn2)C1,XMQMKWBDTARUOK-UHFFFAOYSA-N
|
| 32756 |
+
rxn:3:42679:12214:68334,CCN1C[C@@H](F)[C@H](c2cn(CC#Cc3cncc(C(=O)NC(c4ccco4)C4CCCC4)c3)nn2)C1,LMTSDBVEQMBUCF-JIISWEIGSA-N
|
| 32757 |
+
rxn:3:42679:8620:66285,CN(C)C1(c2cn(CC#Cc3cncc(C(=O)NC4CC4C4CCC4)c3)nn2)CCC(F)(F)CC1,INSJTWNTTNEZTP-UHFFFAOYSA-N
|
| 32758 |
+
rxn:3:42680:2259:68309,CCN1CCC(c2cn(CC#Cc3ccc(C(=O)NC45CCCCC(F)(C4)C5)nc3)nn2)CC1,QHESZOHJPVPABY-UHFFFAOYSA-N
|
| 32759 |
+
rxn:3:42680:23143:68309,CCN1CC(c2cn(CC#Cc3ccc(C(=O)NC45CCCCC(F)(C4)C5)nc3)nn2)C1,UDRFNXWGZNVEJK-UHFFFAOYSA-N
|
| 32760 |
+
rxn:3:42684:2259:66743,CCN1CCC(c2cn(CC#Cc3cccc(C(=O)N[C@@H](c4ccccc4OC)C4CC4)n3)nn2)CC1,DFXLCMLRJOQWGK-MUUNZHRXSA-N
|
| 32761 |
+
rxn:3:42684:23143:69696,CCN1CC(c2cn(CC#Cc3cccc(C(=O)NC(C)(C)C(F)(F)C4CCCC4)n3)nn2)C1,BMVMQEXSTVNSEV-UHFFFAOYSA-N
|
| 32762 |
+
rxn:3:42688:35117:69696,C=C(C)c1cn(CC#Cc2ccnc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)c2)nn1,LCTILPWVLMZYCZ-UHFFFAOYSA-N
|
| 32763 |
+
rxn:3:42881:2259:68334,CCN1CCC(c2cn(CC#Cc3ccc(C(=O)NC(c4ccco4)C4CCCC4)c(F)c3)nn2)CC1,JJBYDJNMKOQDJR-UHFFFAOYSA-N
|
| 32764 |
+
rxn:3:42881:35117:66188,C=C(C)c1cn(CC#Cc2ccc(C(=O)NCC3OCCOC34CCC4)c(F)c2)nn1,CRICGIWBZMOESS-UHFFFAOYSA-N
|
| 32765 |
+
rxn:3:42987:23158:68309,CCN1CCC(c2cn(CC#Cc3cnn([C@@H](C)C(=O)NC45CCCCC(F)(C4)C5)c3)nn2)C1,DJTXWIOSUQMRQS-KZTPPUDSSA-N
|
| 32766 |
+
rxn:3:43040:2259:66512,CCN1CCC(c2cn(CC#Cc3cnc(F)c(C(=O)NC(c4ccccc4)C4CCC4)c3)nn2)CC1,JWIJYIKHDIHVHE-UHFFFAOYSA-N
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| 32767 |
+
rxn:3:43040:2259:68127,CCN1CCC(c2cn(CC#Cc3cnc(F)c(C(=O)N[C@@H](c4ccoc4)C4CCCC4)c3)nn2)CC1,KTJJAUQYLZAURS-AREMUKBSSA-N
|
| 32768 |
+
rxn:3:43040:23158:68334,CCN1CCC(c2cn(CC#Cc3cnc(F)c(C(=O)NC(c4ccco4)C4CCCC4)c3)nn2)C1,BSMTTYSYDWCJFX-UHFFFAOYSA-N
|
| 32769 |
+
rxn:3:43040:35117:65843,C=C(C)c1cn(CC#Cc2cnc(F)c(C(=O)NC3(c4ccc(C5CCCC5)cc4)CCCC3)c2)nn1,LXHINABGNSXOAJ-UHFFFAOYSA-N
|
| 32770 |
+
rxn:3:43042:2259:68928,CCN1CCC(c2cn(CC#Cc3cc(C(=O)N[C@@H](c4cccs4)C4CCCCC4)c(F)cn3)nn2)CC1,CIBDVYMYMDCMOG-MUUNZHRXSA-N
|
| 32771 |
+
rxn:3:43044:23158:68928,CCN1CCC(c2cn(CC#Cc3nccc(C(=O)N[C@@H](c4cccs4)C4CCCCC4)c3F)nn2)C1,PMNSALMRSFHTIN-IAIRZMIISA-N
|
| 32772 |
+
rxn:3:43074:2259:66810,CCN1CCC(c2cn(CC#Cc3ccc(CC(=O)NC4CCC(F)(c5ccccc5)CC4)nc3)nn2)CC1,CUBAXEUZTJTFDL-UHFFFAOYSA-N
|
| 32773 |
+
rxn:3:43074:2259:68309,CCN1CCC(c2cn(CC#Cc3ccc(CC(=O)NC45CCCCC(F)(C4)C5)nc3)nn2)CC1,YALBFIGAYZJPOV-UHFFFAOYSA-N
|
| 32774 |
+
rxn:3:43162:2259:66236,CCN1CCC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@@H](c4ccccc4)C4CC4)c3)nn2)CC1,PFGASVPPGKFDJF-PMERELPUSA-N
|
| 32775 |
+
rxn:3:43162:2259:68944,CCN1CCC(c2cn(CC#Cc3ccc(F)c(CC(=O)N[C@@H](c4ccc5c(c4)OCO5)C4CC4)c3)nn2)CC1,QJAUBAKYHPIYEE-WJOKGBTCSA-N
|
| 32776 |
+
rxn:3:43170:2259:68127,CCN1CCC(c2cn(CC#Cc3ccc(F)cc3CC(=O)N[C@@H](c3ccoc3)C3CCCC3)nn2)CC1,BIXNYDHIAVTXRU-SSEXGKCCSA-N
|
| 32777 |
+
rxn:3:43197:35117:68555,C=C(C)c1cn(CC#Cc2c(F)cc(C(=O)NC3CCCC(C(C)C)C3)cc2F)nn1,HKCJIZWFTPSRLS-UHFFFAOYSA-N
|
| 32778 |
+
rxn:3:43198:35117:65843,C=C(C)c1cn(CC#Cc2ccc(F)c(C(=O)NC3(c4ccc(C5CCCC5)cc4)CCCC3)c2F)nn1,CNLMZSAOHYTFHD-UHFFFAOYSA-N
|
| 32779 |
+
rxn:3:43231:2259:67480,CCN1CCC(c2cn(CC#Cc3cc(OC)cc(C(=O)N[C@@H](c4ccoc4)C(C)C)c3)nn2)CC1,CORSYLVDTTWMDC-HHHXNRCGSA-N
|
| 32780 |
+
rxn:3:43242:20566:112361,CSc1ncc(C#CCn2cc(CN3CCC(C(F)(F)F)CC3)nn2)c(C(=O)Nc2ccsc2C2CCC2)n1,OYUUYSCZDIEQQB-UHFFFAOYSA-N
|
| 32781 |
+
rxn:3:43417:17:68267,COCCC1(NC(=O)C2CC=CC(n3cc(-c4cncc(C(F)F)c4)nn3)C2)CCC(F)(F)CC1,QKRPLDGMCGFCJT-UHFFFAOYSA-N
|
| 32782 |
+
rxn:3:43417:1911:68309,C=CCN(C)Cc1cn(C2C=CCC(C(=O)NC34CCCCC(F)(C3)C4)C2)nn1,ITIPVZHZHBDCPB-UHFFFAOYSA-N
|
| 32783 |
+
rxn:3:43417:2485:66440,CN(CC1CC1)C(C)(C)c1cn(C2C=CCC(C(=O)NC3CC4CCCC(C3)C4(F)F)C2)nn1,GCDPPIHCCMDGBH-UHFFFAOYSA-N
|
| 32784 |
+
rxn:3:43417:2690:67879,CC(F)(F)C1(c2cn(C3C=CCC(C(=O)NCCCO[Si](C)(C)C)C3)nn2)CC1,RQMDCVRWICPKCL-UHFFFAOYSA-N
|
| 32785 |
+
rxn:3:43417:4420:69561,CCOC(CNC(=O)C1CC=CC(n2cc(Cn3cnc(C#N)n3)nn2)C1)C1CCC(F)(F)CC1,IGPJAEVRJGVNCF-UHFFFAOYSA-N
|
| 32786 |
+
rxn:3:43417:5986:69561,CCOC(CNC(=O)C1CC=CC(n2cc(-c3ccc(-c4ncccn4)cc3)nn2)C1)C1CCC(F)(F)CC1,FVCHGWUBXGTNET-UHFFFAOYSA-N
|
| 32787 |
+
rxn:3:43417:6308:69561,CCOC(CNC(=O)C1CC=CC(n2cc(Cn3nnc4c3Cc3ccccc3-4)nn2)C1)C1CCC(F)(F)CC1,KEUCRTCOCHLVSL-UHFFFAOYSA-N
|
| 32788 |
+
rxn:3:43417:6658:67374,CC(C)(NC(=O)C1CC=CC(n2cc(Cn3nc(-c4ccsc4)c4c3CCC4)nn2)C1)C1CCC(F)(F)C1,GNQLMDSNSQISKR-UHFFFAOYSA-N
|
| 32789 |
+
rxn:3:43417:6661:69696,CC(C)(NC(=O)C1CC=CC(n2cc(Cn3nc(-c4ccncc4)c4c3CCC4)nn2)C1)C(F)(F)C1CCCC1,TYRUWMRDQNBFJP-UHFFFAOYSA-N
|
| 32790 |
+
rxn:3:43417:6663:68588,CC1(C)C(CNC(=O)C2CC=CC(n3cc(Cn4nc(-c5ccccn5)c5c4CCC5)nn3)C2)CC1(F)F,RIHZTLHTUXTSRZ-UHFFFAOYSA-N
|
| 32791 |
+
rxn:3:43417:6873:69696,CC(C)(NC(=O)C1CC=CC(n2cc(Cn3nc(-c4ccncc4)cc3C3CC3)nn2)C1)C(F)(F)C1CCCC1,YQKASROEMOIVJI-UHFFFAOYSA-N
|
| 32792 |
+
rxn:3:43417:6878:69696,CC(C)(NC(=O)C1CC=CC(n2cc(Cn3nc(-c4cccnc4)cc3C3CC3)nn2)C1)C(F)(F)C1CCCC1,BZVYWWRUNPZKBD-UHFFFAOYSA-N
|
| 32793 |
+
rxn:3:43779:2259:69696,CCN1CCC(c2cn(-c3ccccc3C#CCC(=O)NC(C)(C)C(F)(F)C3CCCC3)nn2)CC1,XDOVWNCTCQAESW-UHFFFAOYSA-N
|
| 32794 |
+
rxn:3:43780:1086:68220,C[Si](C)(C)CC1CC(CNC(=O)CC#Cc2cccc(-n3cc(CN4CCC(F)(F)CC4)nn3)c2)C1,UYGKVJKDUWJGTD-UHFFFAOYSA-N
|
| 32795 |
+
rxn:3:43780:16799:69696,CCc1c(-c2cn(-c3cccc(C#CCC(=O)NC(C)(C)C(F)(F)C4CCCC4)c3)nn2)cnn1C1CC1,XPUJISNGJMLSOZ-UHFFFAOYSA-N
|
| 32796 |
+
rxn:3:43780:2259:69696,CCN1CCC(c2cn(-c3cccc(C#CCC(=O)NC(C)(C)C(F)(F)C4CCCC4)c3)nn2)CC1,HMSJVJHDFRESLU-UHFFFAOYSA-N
|
| 32797 |
+
rxn:3:43780:2259:69871,CCN1CCC(c2cn(-c3cccc(C#CCC(=O)NC(C)CC4CCC(F)(F)CC4)c3)nn2)CC1,HBDQZLFSTVBCBN-UHFFFAOYSA-N
|
| 32798 |
+
rxn:3:43780:23143:69696,CCN1CC(c2cn(-c3cccc(C#CCC(=O)NC(C)(C)C(F)(F)C4CCCC4)c3)nn2)C1,MWSRDVXVEBZOLN-UHFFFAOYSA-N
|
| 32799 |
+
rxn:3:43780:2787:68220,C[Si](C)(C)CC1CC(CNC(=O)CC#Cc2cccc(-n3cc(CC4CCC(F)(F)CC4)nn3)c2)C1,ONEZVHZUCPSYKJ-UHFFFAOYSA-N
|
| 32800 |
+
rxn:3:43780:5463:65905,O=C(CC#Cc1cccc(-n2cc(C3CC4(C3)CC(F)(F)C4)nn2)c1)N[C@H](c1cccc2c1OCCO2)C1CCCCC1,SNGWTTBQDJPIPK-HKBQPEDESA-N
|
| 32801 |
+
rxn:3:43780:6119:66627,CCCn1ncc(-c2cn(-c3cccc(C#CCC(=O)NC4CC(F)(F)CCC4(C)C)c3)nn2)c1C1CCCCC1,NYLSBDMQACTWPL-UHFFFAOYSA-N
|
| 32802 |
+
rxn:3:43780:6120:69696,CC(C)n1ncc(-c2cn(-c3cccc(C#CCC(=O)NC(C)(C)C(F)(F)C4CCCC4)c3)nn2)c1C1CCCCC1,OUJCXHWGCOBEQE-UHFFFAOYSA-N
|
| 32803 |
+
rxn:3:43780:8674:69696,CC(c1cn(-c2cccc(C#CCC(=O)NC(C)(C)C(F)(F)C3CCCC3)c2)nn1)N1CCCC1,VXQPKWALMXBCEN-UHFFFAOYSA-N
|
| 32804 |
+
rxn:3:44514:35117:69696,C=C(C)c1cn(CCC#Cc2cccnc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,HDXQXTVIIBGLKL-UHFFFAOYSA-N
|
| 32805 |
+
rxn:3:44515:2259:68309,CCN1CCC(c2cn(CCC#Cc3cc(C(=O)NC45CCCCC(F)(C4)C5)ccn3)nn2)CC1,XILIKXSRJDQCNB-UHFFFAOYSA-N
|
| 32806 |
+
rxn:3:44518:35117:66755,C=C(C)c1cn(CCC#Cc2ncccc2C(=O)NCC(C)C2CCC(F)(F)CC2)nn1,HXQMOFBBQLVSAL-UHFFFAOYSA-N
|
| 32807 |
+
rxn:3:44518:35117:69696,C=C(C)c1cn(CCC#Cc2ncccc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,PDGCGDIAGWLINB-UHFFFAOYSA-N
|
| 32808 |
+
rxn:3:44923:35117:68555,C=C(C)c1cn(CCC#Cc2c(F)cc(C(=O)NC3CCCC(C(C)C)C3)cc2F)nn1,TVEDKIAENTTXLP-UHFFFAOYSA-N
|
| 32809 |
+
rxn:3:46053:35117:69696,C=C(C)c1cn(CCC=Cc2cncc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)c2)nn1,OWTDTSJJVMKJJA-UHFFFAOYSA-N
|
| 32810 |
+
rxn:3:46058:35117:69696,C=C(C)c1cn(CCC=Cc2ccc(C(=O)NC(C)(C)C(F)(F)C3CCCC3)cn2)nn1,VOHZTKIBSZLUEF-UHFFFAOYSA-N
|
| 32811 |
+
rxn:3:46235:35117:67005,C=C(C)c1cn(CCC=Cc2ccc(C(=O)N[C@H](CCC)C3CCCC3)cc2F)nn1,VBXBCBVDZVHULP-HSZRJFAPSA-N
|
| 32812 |
+
rxn:3:46431:35117:67005,C=C(C)c1cn(CCC=Cc2ccc(F)c(C(=O)N[C@H](CCC)C3CCCC3)c2F)nn1,PUSYAOTUTGJOPI-OAQYLSRUSA-N
|
| 32813 |
+
rxn:3:48101:2259:69966,CCN1CCC(c2cn(-c3cccc(OCC(=O)N[C@@H](c4ccc(C)o4)C4CCCC4)c3)nn2)CC1,KFNITDDMIQGGPQ-MUUNZHRXSA-N
|
| 32814 |
+
rxn:3:48101:8620:68373,CN(C)C1(c2cn(-c3cccc(OCC(=O)NCC4(C)CSC4)c3)nn2)CCC(F)(F)CC1,RKPAGXPWUWVWCZ-UHFFFAOYSA-N
|
| 32815 |
+
rxn:3:49156:8620:70088,COCC(C(=O)NCc1ccc(OC2CCOC2)cc1)n1cc(C2(N(C)C)CCC(F)(F)CC2)nn1,HVXKKCYVNIGMGM-UHFFFAOYSA-N
|
| 32816 |
+
rxn:3:49508:8620:65952,CN(C)C1(c2cn(-c3cccc(C#CC(=O)NOC4CCOC4)c3)nn2)CCC(F)(F)CC1,FUIDLOSAYGGFOW-UHFFFAOYSA-N
|
| 32817 |
+
rxn:3:49937:2259:65942,CCN1CCC(c2cn(CC3C(c4cn[nH]c4C(=O)NC(Cc4ccsc4)C4CCC(C)CC4)C3(F)F)nn2)CC1,KATITWQBVLUSGZ-UHFFFAOYSA-N
|
| 32818 |
+
rxn:3:50430:35117:67407,C=C(C)c1cn(CC2C(c3cncc(C(=O)NCC4CC5(CCOCC5)C4)c3)C2(F)F)nn1,VDEDRDSSDLIANN-UHFFFAOYSA-N
|
| 32819 |
+
rxn:3:50432:35117:68649,C=C(C)c1cn(CC2C(c3cccnc3C(=O)NCC3(C4CCOCC4)CCC3)C2(F)F)nn1,AYQALEGOUCXJIA-UHFFFAOYSA-N
|
| 32820 |
+
rxn:3:50435:35117:68649,C=C(C)c1cn(CC2C(c3cccc(C(=O)NCC4(C5CCOCC5)CCC4)n3)C2(F)F)nn1,IYOQSJPGNCLETO-UHFFFAOYSA-N
|
| 32821 |
+
rxn:3:50436:35117:68649,C=C(C)c1cn(CC2C(c3ccc(C(=O)NCC4(C5CCOCC5)CCC4)cn3)C2(F)F)nn1,NPNYGNJASLFRRV-UHFFFAOYSA-N
|
| 32822 |
+
rxn:3:50439:1912:69134,CN(C)C(C)(C)c1cn(CC2C(c3ccnc(C(=O)NC4(C5CCC5)CC4)c3)C2(F)F)nn1,ICUKEICSKPGFNK-UHFFFAOYSA-N
|
| 32823 |
+
rxn:3:50439:5287:68820,CC(C)c1nnnn1Cc1cn(CC2C(c3ccnc(C(=O)NC4CSC4C4CCCC4)c3)C2(F)F)nn1,YRBHUJFVGGVVJD-UHFFFAOYSA-N
|
| 32824 |
+
rxn:3:50439:6288:69134,CC(C)(C)c1cnnn1Cc1cn(CC2C(c3ccnc(C(=O)NC4(C5CCC5)CC4)c3)C2(F)F)nn1,JYXKMCOMFLPLSK-UHFFFAOYSA-N
|
| 32825 |
+
rxn:3:51049:35117:67005,C=C(C)c1cn(CC2C(c3ccc(C(=O)N[C@H](CCC)C4CCCC4)cc3OC)C2(F)F)nn1,SXOGCVHFBYJQEK-ZPGVXSSASA-N
|
| 32826 |
+
rxn:3:51282:35117:66837,C=C(C)c1cn(CC2C(c3cccc(C4(C(=O)NC5CCCCCC5CC5CCCC5)CC4)c3)C2(F)F)nn1,JMTSHIVMNXAWSF-UHFFFAOYSA-N
|
| 32827 |
+
rxn:3:51497:2259:65920,CCN1CCC(c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6(c7ccc(OC)cc7)CC6)[nH]n5)cc4)C3(F)F)nn2)CC1,QCQBPNJMSOOHRM-UHFFFAOYSA-N
|
| 32828 |
+
rxn:3:51497:23143:65920,CCN1CC(c2cn(CC3C(c4ccc(-c5cc(C(=O)NC6(c7ccc(OC)cc7)CC6)[nH]n5)cc4)C3(F)F)nn2)C1,SEUMKMZJEPUJKA-UHFFFAOYSA-N
|
| 32829 |
+
rxn:3:51497:35117:67407,C=C(C)c1cn(CC2C(c3ccc(-c4cc(C(=O)NCC5CC6(CCOCC6)C5)[nH]n4)cc3)C2(F)F)nn1,USQMQGJRSMGQIE-UHFFFAOYSA-N
|
| 32830 |
+
rxn:3:51497:35117:69265,C=C(C)c1cn(CC2C(c3ccc(-c4cc(C(=O)N[C@@H]5CCC[C@](C)(OC)C5)[nH]n4)cc3)C2(F)F)nn1,TUBYDEFYUJPZRT-SHTUJVJXSA-N
|
| 32831 |
+
rxn:3:51497:35117:69330,C=C(C)c1cn(CC2C(c3ccc(-c4cc(C(=O)N[C@@H]5CCOC6(CCC6)C5)[nH]n4)cc3)C2(F)F)nn1,LUESMXCOYRWGPT-KDARRYODSA-N
|
| 32832 |
+
rxn:3:52485:35117:66755,C=C(C)c1cn(CCC2CC2c2cccnc2C(=O)NCC(C)C2CCC(F)(F)CC2)nn1,WICSNNZYJJRHKU-UHFFFAOYSA-N
|
| 32833 |
+
rxn:3:52485:35117:69696,C=C(C)c1cn(CCC2CC2c2cccnc2C(=O)NC(C)(C)C(F)(F)C2CCCC2)nn1,BEKSSHXEDSKUBQ-UHFFFAOYSA-N
|
| 32834 |
+
rxn:3:52722:35117:67005,C=C(C)c1cn(CCC2CC2c2ccc(C(=O)N[C@H](CCC)C3CCCC3)c(F)c2)nn1,KBVHOZFJYLOLTB-LLAFXHEGSA-N
|
| 32835 |
+
rxn:3:52966:35117:65843,C=C(C)c1cn(CCC2CC2c2cc(F)c(C(=O)NC3(c4ccc(C5CCCC5)cc4)CCCC3)c(F)c2)nn1,HHEZMYQOMKSRSQ-UHFFFAOYSA-N
|
| 32836 |
+
rxn:3:54193:35117:67407,C=C(C)c1cn(CCC2C(c3cncc(C(=O)NCC4CC5(CCOCC5)C4)c3)C2(F)F)nn1,XCVNNKWFSNZIBM-UHFFFAOYSA-N
|
| 32837 |
+
rxn:3:54195:2259:68844,CCN1CCC(c2cn(CCC3C(c4cccnc4C(=O)Nc4ccc(OC)cc4OC)C3(F)F)nn2)CC1,SRQOXSLSIXYQJK-UHFFFAOYSA-N
|
| 32838 |
+
rxn:3:54195:35117:68649,C=C(C)c1cn(CCC2C(c3cccnc3C(=O)NCC3(C4CCOCC4)CCC3)C2(F)F)nn1,SBTDRGGYTILVLP-UHFFFAOYSA-N
|
| 32839 |
+
rxn:3:54196:35117:67005,C=C(C)c1cn(CCC2C(c3cc(C(=O)N[C@H](CCC)C4CCCC4)ccn3)C2(F)F)nn1,JVOPKTRWMRBCFB-LRZVDXDASA-N
|
| 32840 |
+
rxn:3:54804:35117:66564,C=C(C)c1cn(CCC2C(c3ccc4[nH]nc(C(=O)NCC5CCC6(CCCC6)C5)c4c3)C2(F)F)nn1,YLEHOBNJQKONRL-UHFFFAOYSA-N
|
| 32841 |
+
rxn:3:54804:35117:66833,C=C(C)c1cn(CCC2C(c3ccc4[nH]nc(C(=O)NC5CCC6(CCOCC6)C5)c4c3)C2(F)F)nn1,TYNZXUFLMNCOQP-UHFFFAOYSA-N
|
| 32842 |
+
rxn:3:54804:35117:67407,C=C(C)c1cn(CCC2C(c3ccc4[nH]nc(C(=O)NCC5CC6(CCOCC6)C5)c4c3)C2(F)F)nn1,DFJBWRKAYUQDQZ-UHFFFAOYSA-N
|
| 32843 |
+
rxn:3:56119:35117:67005,C=C(C)c1cn(CC2CC2c2ccc(C(=O)N[C@H](CCC)C3CCCC3)c(F)c2)nn1,KTVPFLNNTZAFID-POOLCLQXSA-N
|
| 32844 |
+
rxn:3:56473:35117:65843,C=C(C)c1cn(CC2CC2c2ccc(F)c(C(=O)NC3(c4ccc(C5CCCC5)cc4)CCCC3)c2F)nn1,VELCPERIHQCMFP-UHFFFAOYSA-N
|
| 32845 |
+
rxn:3:62466:2469:66440,CN(CC1CCC1)C(C)(C)c1cn(C2CCC(C(=O)NC3CC4CCCC(C3)C4(F)F)C3CCC32)nn1,GQZCSCJBEIMHJG-UHFFFAOYSA-N
|
| 32846 |
+
rxn:3:62466:2485:66440,CN(CC1CC1)C(C)(C)c1cn(C2CCC(C(=O)NC3CC4CCCC(C3)C4(F)F)C3CCC32)nn1,OFJLTFBZLVSEBF-UHFFFAOYSA-N
|
| 32847 |
+
rxn:3:62466:336:69561,CCOC(CNC(=O)C1CCC(n2cc(Cc3cccnc3)nn2)C2CCC12)C1CCC(F)(F)CC1,YIWIZIOSCHMLQF-UHFFFAOYSA-N
|
| 32848 |
+
rxn:3:62466:4364:66440,CC(C)CCN(C)Cc1cn(C2CCC(C(=O)NC3CC4CCCC(C3)C4(F)F)C3CCC32)nn1,BMDZXHQRBZUWQY-UHFFFAOYSA-N
|
| 32849 |
+
rxn:3:62466:6417:67218,CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@H](NC(=O)C2CCC(n3cc(-c4ccc(-c5cncnc5)cc4)nn3)C3CCC23)C1,NUIAKVCCYXTERQ-LFQXKYMESA-N
|
| 32850 |
+
rxn:3:62466:6862:66755,Cc1cc(-c2ccsc2)nn1Cc1cn(C2CCC(C(=O)NCC(C)C3CCC(F)(F)CC3)C3CCC32)nn1,IONAKTOPMZPRCV-UHFFFAOYSA-N
|
| 32851 |
+
rxn:3:62466:7653:69561,CCOC(CNC(=O)C1CCC(n2cc(-c3ncnc4ncccc34)nn2)C2CCC12)C1CCC(F)(F)CC1,WCFQJHCVZNUCJI-UHFFFAOYSA-N
|
| 32852 |
+
rxn:3:62784:1881:68267,COCCC1(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4cnc5scnc5c4)nn3)CC2=O)CCC(F)(F)CC1,LVUFSKJGPZNCBX-UHFFFAOYSA-N
|
| 32853 |
+
rxn:3:62784:7193:69372,CC1CC(NC(=O)C(C2CCCCC2)N2CC(Cn3cc(-c4ccc(SCCC(F)(F)F)cc4)nn3)CC2=O)CC(C)S1,JQETXCLJALDLOR-UHFFFAOYSA-N
|