Added 118 molecules from epoch 16743 for P31645
Browse files- P31645_molecules.csv +118 -0
P31645_molecules.csv
CHANGED
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@@ -41555,3 +41555,121 @@ rxn:2:88365:128620,CC1CCCCC1N(C)CCCNC1CC(C)C12CCC2,NOHFYVLWPBJWGN-UHFFFAOYSA-N
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| 41555 |
rxn:2:91160:120368,CN(C)CCN(C)C1CCC(NOCC2CC(F)(F)C2)CC1,LWIBXWRSOKBHQQ-UHFFFAOYSA-N
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| 41556 |
rxn:2:94145:119164,CCCCN(C)CC1CCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,FSNJGBAZDXDZEO-HAMDTZRPSA-N
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| 41557 |
rxn:2:94145:123809,CCCCCN(C)C1CCCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,KCETZUZVXDCRHQ-NUTQKKSESA-N
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| 41555 |
rxn:2:91160:120368,CN(C)CCN(C)C1CCC(NOCC2CC(F)(F)C2)CC1,LWIBXWRSOKBHQQ-UHFFFAOYSA-N
|
| 41556 |
rxn:2:94145:119164,CCCCN(C)CC1CCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,FSNJGBAZDXDZEO-HAMDTZRPSA-N
|
| 41557 |
rxn:2:94145:123809,CCCCCN(C)C1CCCCCC1NC[C@@H]1CCCC[C@@H]1N(C)C,KCETZUZVXDCRHQ-NUTQKKSESA-N
|
| 41558 |
+
01B7C4AFFC2F0147_8E88C8CCA19371EC_6009_UN,COC1OC(OC)C(=C1)C2(CCN(C)CC2)CCC#N,KSQYDMMUDBIWLU-UHFFFAOYSA-N
|
| 41559 |
+
01ED52650BDE63EF_B95B3B212F704242_6035_UN,COC3(COC1=C(C=C(C=C1)Cl)C2CC2)CCCCCC3,AWZLBTMKTOSGAF-UHFFFAOYSA-N
|
| 41560 |
+
09F0EC54492EC931_CCBCFCE41EB70487_6041_DP,CCOCC1=C(C=CC(=C1)[N](=O)=O)NC2=CC=C(CO)C=C2,UCYPJCKDXLTROV-UHFFFAOYSA-N
|
| 41561 |
+
126A4B575753CC29_B011CD303674C5F3_6041_UN,COC(OC)C1=CC(=C(C=C1)F)NCC2(OCC)CCOCC2,HDPXMDNLGYYGMQ-UHFFFAOYSA-N
|
| 41562 |
+
13C3315E3FE65364_BCD39E3E75329DE3_6041_DP,FC2=C1C=CC=CC1=C(C=C2)NCCN3CCNCC3C4=NC=C[N]4C,RZZZCQNBGNMQTO-UHFFFAOYSA-N
|
| 41563 |
+
1695FDC580CC7866_255D8D3768F5354F_7022_DP,CCOC1=CC=C(C=C1)NCC2(CCNC2)C(F)(F)F,ANWIADDXSRJBIF-UHFFFAOYSA-N
|
| 41564 |
+
1758F67B14180A57_D12C37BB360B04E3_6041_UN,COC2=C1C=C(C=CC1=NC(=C2)NCC3(N(C)C)CCSC3)F,ODWTWUQCULSONH-UHFFFAOYSA-N
|
| 41565 |
+
17B3D82071DBA138_315F632FFDD3A2C1_6034_UN,ClC1=C(C=CC=C1)C2=CN(C(=N2)C3NCCC3)C[C@H]4CC[C@@H](CC4)C#C,BMDKKQQEHAFACN-IWZNKUOBSA-N
|
| 41566 |
+
1E79116EF1AC7971_3DEA9A530D3F605D_6041_UN,CC1=CC(=C(C=C1)CC(=O)O)NC2=C(CC)C=CC(=C2)[N](=O)=O,DUVZDXKQMCQNIN-UHFFFAOYSA-N
|
| 41567 |
+
1FF19C8C916B8BE5_0C3B5CA641B7576C_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N)NC(C2=CC=NC3=C2C=CC(=C3)OC)=O,IQYYATXQRHUDLV-UHFFFAOYSA-N
|
| 41568 |
+
2396F2FA3CEA7586_7184CBA1D4DBA64A_6041_UN,CC1=C(C=C([N](=C1)=O)NC2=C(CC)C(=CC=C2)C)[N](=O)=O,KWCIODFTVFRMFD-UHFFFAOYSA-N
|
| 41569 |
+
24DD7EAC69936848_D9ACFD23FEC37D1F_6031_DP,O(C(=O)C1=N[NH]C2=C1C=CC(=C2)Br)CC45OC3(CNC3)C(C4)(N)C5,QLXOKJRKNDBURI-UHFFFAOYSA-N
|
| 41570 |
+
25E15593641B3B92_592C7F3338F9408C_6035_UN,CN(C)[C@@H]1COC[C@H]1OC2=C(C3=C(C=C2)C=CC=N3)Br,YNCYVKPHBKOWEG-DGCLKSJQSA-N
|
| 41571 |
+
26A37DB05C155182_4C3AC2D4D0FD3C6C_6041_UN,C1(=CC2=C(C=C1)C=N[N]2C3CCCCO3)NC4=CC(=C([S](N(C)C)(=O)=O)C=C4)C,XTVWDQRKVVUCEX-UHFFFAOYSA-N
|
| 41572 |
+
29049D9467C29C07_6DE77BC37E4360EB_6029_DP,N2C(CN[S](C1=C(C(O)=O)C=CC(=C1)F)(=O)=O)C3CCC2CC3,YDSVCCJLVZWXJA-UHFFFAOYSA-N
|
| 41573 |
+
2ADB2DB374F1F90E_EBD2588DF6DDB999_6031_DP,O(C(=O)C1=CC2=C(C=C1)[NH]N=C2I)CC45OC3(CNC3)C(C4)(N)C5,QHOLLYCWNIVNTE-UHFFFAOYSA-N
|
| 41574 |
+
2CC3F0AC8DCE5646_63F434FD77FE04BF_6029_UN,N(CC1=CC2=C(C=C1)OCC2)[S](C4=CC3=C(N=C(OC)C=C3)C=C4)(=O)=O,WGKQCWAPXILDAK-UHFFFAOYSA-N
|
| 41575 |
+
36756289DB802BC8_CC2240AD87942278_6041_UN,FC1=CC4=C(C(=C1)NC3=C(C=C2OCCCOC2=C3)C(=O)O)[NH]C=C4,STTUWWXMGMXDCI-UHFFFAOYSA-N
|
| 41576 |
+
3891528BE7E270BF_70F86BCF0FD67685_6038_UN,CC1=C(C=C(S1)[S](=O)(=O)N)NC(C2=[N](C=CC(=C2)OC)=O)=O,OOVDMCBPWJHCSO-UHFFFAOYSA-N
|
| 41577 |
+
38F98C081C02ACA6_8AA8C78F06CDD263_6041_UN,FC2=C1C=CN=CC1=C(C=C2)N[C@@H]3COC[C@H]3N(C)C,HOONUNLFDHIPNZ-HUUCEWRRSA-N
|
| 41578 |
+
3A408AA8B6652BCC_8D38461F6E780D3E_6038_UN,CC1=CSC=C1CNC(C2=CC(=C(OC)C=C2)[S](=O)(=O)Cl)=O,GJECPOQKIXIQKF-UHFFFAOYSA-N
|
| 41579 |
+
3AC12B6EA1260BA1_3CC0FB5AA298014A_6031_UN,O(C(=O)CC1C2=C(NC1)C=CC(=C2)C#N)CC(C3=CC=CC(=C3)OC)N,DVWBLRMVMLSSSK-UHFFFAOYSA-N
|
| 41580 |
+
3E2929B49C4BB337_CE6AC59958F5E70D_6041_UN,C1(=CC2=C(C=C1)CC=C2)NC4=C(C=C3OCCCOC3=C4)C(=O)O,VAZUWBUUQPWPOD-UHFFFAOYSA-N
|
| 41581 |
+
3E2929B49C4BB337_FB6F8A395DF0CB16_6041_UN,C1(=CC2=C(C=C1)CC=C2)NC4=C(C=C3OCCCOC3=C4)C(=O)O,VAZUWBUUQPWPOD-UHFFFAOYSA-N
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| 41582 |
+
3E5E273161BD4446_42E8EEED30D3CAA3_6041_UN,C1(=CC=C(C=C1)[S](=O)(=O)OCC2CCCO2)NCC4=CC3=C(C=C(OC)C=C3)C=C4,MOEMHTSPXZCSIC-UHFFFAOYSA-N
|
| 41583 |
+
3F6730064D68CB64_915EF7B11A8576E8_6031_DP,O(C(=O)C1=CC=C([NH]1)C(F)(F)F)CC34OC2(CNC2)C(C3)(N)C4,RDSHDNWSOSANNC-UHFFFAOYSA-N
|
| 41584 |
+
478DC4B37515A62D_703D265A7DC10F2C_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N)NC(CC2=CC(=C(OC)C=C2)F)=O,VYHZQNIOJDATGB-UHFFFAOYSA-N
|
| 41585 |
+
4A1C0A272083F416_1B581024DEEA4EF1_6029_DP,N(CC12CC(C1)C2)[S](C4=CC=C(C3(CNC3)N=[N]#N)C=C4)(=O)=O,MLNRKVGLIDPHCI-UHFFFAOYSA-N
|
| 41586 |
+
4BE151A47C806391_03034BEA96A0E014_6041_UN,C[Si](C)(C)C1=NC(=CS1)NCC3(C2=CC=C(OC)C=C2)CCC3,ACTAIFHOKKLXCL-UHFFFAOYSA-N
|
| 41587 |
+
4D29960E09ED537E_680D03C6CC0EEB4E_6041_UN,C1(=NC(=CO1)C2CC2)NC3=CC(=C(C)C=C3[N](=O)=O)F,VRJSSLAJKGESQS-UHFFFAOYSA-N
|
| 41588 |
+
548D87CFB4CB33F5_BBFCC01B1DC93592_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=CC(=NC=C3)N(C)C,ARBHQIVQJVWZTR-UHFFFAOYSA-N
|
| 41589 |
+
56F37F3695D7CCD0_1D222176A8E8DD58_6038_UN,COC1=CC3=C(C(=C1)NC(C2=C(C=CC(=C2)[S](N)(=O)=O)F)=O)N=CC=C3OC,DJQDYQAQYUELFE-UHFFFAOYSA-N
|
| 41590 |
+
5B82D54C3B30DE46_9DF3230B6AD0E2D6_6029_UN,CN(CC1=CC2=C(C=C1)C=C(OC)C=C2)[S](C4=CC(=C3N=CC=CC3=C4)C)(=O)=O,GZZAOYVLWKYZIO-UHFFFAOYSA-N
|
| 41591 |
+
5DFB9146EFD50CB1_D59E053E8F4B43D1_6041_UN,C1(=CC2=C(N=C1)OCCC2)NC3=CC(=C(C=C3)F)[S](N(C)C)(=O)=O,OPNZDXLFSVZIHK-UHFFFAOYSA-N
|
| 41592 |
+
5EE1820164CF445E_18DC1F5A237FBD85_7022_UN,C1(=CC(=CN=C1)F)NC2=CC=CC3=C2OCCC3N(C)C,AIFQYXQJBQFQQA-UHFFFAOYSA-N
|
| 41593 |
+
62A0582912042CED_D30EEBEFB39CEDE5_6041_UN,COCC1=C(C=CC(=C1)[N](=O)=O)NC2C3=C(CCC2N(C)C)C=CC=C3,KLHPOLRJWVWTRL-UHFFFAOYSA-N
|
| 41594 |
+
63E8B3FE5EE09836_714E578BD25FA9D3_6026_UN,[S](=O)(=O)(C2=C1N=CC=CC1=CC=C2)NCC4ON=C(C3=CC(=C(OC)C=C3)F)C4,LSSGPYCXCWNHNM-UHFFFAOYSA-N
|
| 41595 |
+
658EDA41FB8B8898_D33205D41F93A27C_6029_UN,N(C1C2C1C3CCC2C3)[S](C5=CC4=C([N](C)C=C4N=C=O)C=C5)(=O)=O,WWXHJUKROFNCBU-UHFFFAOYSA-N
|
| 41596 |
+
662A03DD026AFBEF_6A8A6D84AD981669_6034_DP,FC1=C(C=CC=C1)C2=C[N](C(=N2)C3CCCN3)CC4(CCN4)C,KVFNBQORIRPBBK-UHFFFAOYSA-N
|
| 41597 |
+
68EE886706CC31ED_39B8E87F0777FA92_6026_DP,[S](=O)(=O)(C1=C(OC=C1)C#N)NC3=CC2=C(OCCNC2)C=C3,QIVUPOLIHFDFDJ-UHFFFAOYSA-N
|
| 41598 |
+
69E91E44AAC81462_07353FCE50668C1C_6041_UN,CC1=C(C=C(C(=C1)NC2=C(CC)C=CC(=C2)[N](=O)=O)F)[N](=O)=O,JALXODGJPANOJP-UHFFFAOYSA-N
|
| 41599 |
+
6C25D8BC6830D252_B97DB3434F82D49B_6041_UN,FC2=C1C=NC=CC1=CC=C2NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,FPCDCPXATLVCDJ-MGPUTAFESA-N
|
| 41600 |
+
6D5266EA26885960_5B80BFD46F427D7C_6029_UN,N(CC1=CN=C(C=C1)N2CCOCC2)[S](C3=CC=C(C#N)O3)(=O)=O,AYWVDNPWIZZGGA-UHFFFAOYSA-N
|
| 41601 |
+
6F934A5C791D7DB7_3DED25D465E8589B_6041_UN,CC1=C([N](=CC=C1)=O)NC2=C(COC)C=C(C=C2)[N](=O)=O,JAEMMGJDXORZTB-UHFFFAOYSA-N
|
| 41602 |
+
70365E1177855C7E_169A4E3C9B1B4962_6029_UN,C1C2CCCC(C1)N2[S](C3=C(C(=C(C=C3)I)C(O)=O)F)(=O)=O,UFIRGXGMQVCDHT-UHFFFAOYSA-N
|
| 41603 |
+
7053CC3D67B12C01_81EFD457EA6801B3_7022_DP,C1(=C(C2=C(C=C1)OCO2)F)NC3CCN(C)C34CCCNC4,ITUBEPSSFWMNSP-UHFFFAOYSA-N
|
| 41604 |
+
7346334633CAA110_EE1F137A86DF2A7B_6035_UN,CN(C)[C@@H]1COC[C@H]1OC2=NC3=C(C=C2)C=C(Br)C=N3,QFSKFFNEAKRTDB-VXGBXAGGSA-N
|
| 41605 |
+
745D598DFCB3F1D8_FD7F59E0E4D884D0_6026_UN,[S](=O)(=O)(C1=CC=C(C=C1)C2CC2)N(C)CC3=CC4=C(C=C3)C=C(OC)C=C4,NPBUBFGVKUKPLB-UHFFFAOYSA-N
|
| 41606 |
+
78D0088C7E4E73A4_B24E686269503B1E_6029_UN,N(CCC1C3CC2CC(CC1C2)C3)[S](C4=C[NH]C5=C4C=C([N](=O)=O)C=C5)(=O)=O,NLBDUSLKDYDVLY-UHFFFAOYSA-N
|
| 41607 |
+
78D13903F62A4654_9EFBD4A1103435CB_6041_UN,FC1=C(C(=CC=C1)NC[C@@H]2OCCN(CC)[C@H]2C3=CC=N[N]3C)C4CC4,FJTGFXATCHOQTJ-ICSRJNTNSA-N
|
| 41608 |
+
799603453044227E_8B377FF49F6D8718_6035_DP,COC3CNC(C)(COC2=C(C1(N)CC1)C=C(C=N2)Br)C3,CXFLLNQFXLALNJ-UHFFFAOYSA-N
|
| 41609 |
+
799603453044227E_F963BE479612BE83_6035_UN,COC3CNC(C)(COC2=C(C1(N)CC1)C=C(C=N2)Br)C3,CXFLLNQFXLALNJ-UHFFFAOYSA-N
|
| 41610 |
+
7CB35F3BC2C35B89_D71B0A66FCC43B6C_6035_UN,CN(C)CC1(CNCCC1)OC2=CC(=C(C=C2)Cl)C(F)(F)F,QTUQBTNACUAQLZ-UHFFFAOYSA-N
|
| 41611 |
+
81EB1A1F1F9938B5_D4BE816769C46D69_6026_UN,[S](=O)(=O)(C1=CC2=C(C=C1)C=C(N=[N]#N)C=C2)NC4C3=C(C=C(OC)C=C3OC)OCC4,KYSISPBBMSGOMO-UHFFFAOYSA-N
|
| 41612 |
+
82AE473DD4C71C53_87F5A7497137305C_6041_UN,CC1=C[N](=CC(=C1)NC2=C(C)C=C(C(=C2)C)[N](=O)=O)=O,PDYVMMNAMYNAMT-UHFFFAOYSA-N
|
| 41613 |
+
87E09802D4CBD840_159DDD712DFA7B72_6039_UN,O(C3CCN(CC1CCCC2=C1C=CC=C2)CC3)CC(OC)C4CCOC4,DADYHSJJNZPOSG-UHFFFAOYSA-N
|
| 41614 |
+
8B4762E7E11AB484_68CEC325245DBE42_6038_DP,N1C4(C(CC1)NC(=O)C3=CC2=C(C=CC=C2F)[NH]3)CC4,SKPBGJNWSSOSCH-UHFFFAOYSA-N
|
| 41615 |
+
91B35F41B67CAED0_D4E7630892550125_6041_UN,FC2=C(C=C1C=CC=NC1=C2)NC[C@@H]3CCCN(C)[C@H]3C4=CC=N[N]4C,XXTWFRPQMWQUMA-MGPUTAFESA-N
|
| 41616 |
+
91CC342178A23836_DFE6D0600FD460CE_6041_UN,FC2=C1C=CC=NC1=CC=C2NC[C@@H]3CCCN(C)[C@H]3C4=CN=C[N]4C,GWWAEZYIVYNANM-VBKZILBWSA-N
|
| 41617 |
+
91DD43B05657348A_1D9CE95CB4772250_6035_UN,CC3(C)[C@@H](OC2=C1N=CC=CC1=C(C=C2I)Cl)[C@H]4CCCN[C@@H]34,ZTRHUZOUMQMOFI-JECHBYEQSA-N
|
| 41618 |
+
949227ED7B392E6B_4E83B3195B98A856_6041_UN,CC1=CC(=C(C=C1)N=C=O)NC2=C(CC)C=CC(=C2)[N](=O)=O,DPMQORPOOXYYLF-UHFFFAOYSA-N
|
| 41619 |
+
95FA9A702428FA23_A2F6348E538AD750_6041_UN,CC1=CC(=C(C=C1)N=C=O)NC2=CC(=C(CC)C=C2)[N](=O)=O,DHLQYLNLHCKLHI-UHFFFAOYSA-N
|
| 41620 |
+
96E16DC30BABC238_8A88DC235D5B9A9A_6035_UN,CC3(C)[C@@H](OC2=C1N=CC=CC1=C(C=C2I)I)[C@H]4CCCN[C@@H]34,DLTMQFXONIZZQH-JECHBYEQSA-N
|
| 41621 |
+
992B27BE730E78AF_0C08B9AC712B5833_7022_UN,CCOC1=C(C=C(C=C1)[N](=O)=O)NC2=C(COC)C=C(C=C2)Cl,KKJDMGMDJHXTLC-UHFFFAOYSA-N
|
| 41622 |
+
9AD2EFAE7F54422E_7EA32299DBC5108A_6029_UN,CN(CC1=CC2=C(C=C1)C=C(OC)C=C2)[S](C4=C3C=CC=NC3=C(C=C4)C#N)(=O)=O,LLXXOVWOEJLQPE-UHFFFAOYSA-N
|
| 41623 |
+
9D3011A093FA7C72_1A6BD31F7EEC1801_6029_DP,N1C3CCC(N1[S](C2=C(C=CC(=C2CBr)[N](=O)=O)F)(=O)=O)C3,KOSQZHYWNLNCGL-UHFFFAOYSA-N
|
| 41624 |
+
A1FDE3EFE1633826_122DA4EEC574EF16_6035_UN,CN(C)CC1(CNCCC1)OC2=CC(=C(C=C2)Br)C(F)(F)F,PXMBVEXESLCYIO-UHFFFAOYSA-N
|
| 41625 |
+
A258CEE1959A1076_524011C19B0280A3_6035_UN,CN(C)[C@@H]1COC[C@H]1OC3=C2C=CC=C(C2=NC=C3)F,LALFPPLDNAJIGX-TZMCWYRMSA-N
|
| 41626 |
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A721AABCE35D2281_DF02A8A48E3571CB_6041_DP,CN(C1CNC1)C2=NC(=NC=C2)NCC3CC4CC3C=C4,VABCNAGIRCTNMJ-UHFFFAOYSA-N
|
| 41627 |
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ACCEE4834C169A78_305593B885FBAC5C_6041_DP,OC(=O)C1=C(C4=C(C(=C1)NC2C3OCCNC23)N=CC=C4)F,VOIAYAFDABNNEF-UHFFFAOYSA-N
|
| 41628 |
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B0666B750843FF28_DBB55A63A46D6451_6031_UN,O(C(=O)C1=CC2=C(C=C1)NC(=O)N2)CC34CCC(CC3)(C(F)(F)F)CC4,CEKGAZKDOSXJLP-UHFFFAOYSA-N
|
| 41629 |
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B4EA8E8B3FC0AAD8_AB6948CF413E3033_6029_UN,COCC1=C(C=CC(=C1)CN[S](C2=CC(=C(C=C2)CBr)F)(=O)=O)F,MVWMIGRKPQNPNR-UHFFFAOYSA-N
|
| 41630 |
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B6EE153501CDABBD_87188034E9B0A32B_6029_UN,N(CC1=CC(=C(C=C1)C#N)F)[S](C3=CC(=C2N=CC=CC2=C3)OC)(=O)=O,OEZJXEUGMUPUFA-UHFFFAOYSA-N
|
| 41631 |
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BDB2E87433634911_93ED0D028BD41765_6041_UN,COCC1=C(C=CC(=C1)[N](=O)=O)NCC2=CN=C([S](C)(=O)=O)C=C2,NATKEXHYUNFROH-UHFFFAOYSA-N
|
| 41632 |
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BDD24AAA53AB2C1C_42E9FD526541C770_6029_UN,N(C13CC2CC(C1)CC(C2(F)F)C3)[S](C5=CC4=C([NH]C=C4[N](=O)=O)C=C5)(=O)=O,UJMFVFCTDFNBBL-UHFFFAOYSA-N
|
| 41633 |
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BFBA0DCE37555BEA_B67D487E5813ACB3_6029_UN,C1C2CC(C1)C4=C(CN2[S](C3=C(C=C([N](=O)=O)C=C3)CBr)(=O)=O)C=CC=C4,XJNRYMWTHUEZGX-UHFFFAOYSA-N
|
| 41634 |
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C0402A3BC868B628_68D7008909D670EC_6041_UN,COC(OC)C1=CC(=C(C=C1)F)NCC2(OC)CCCC(C)(C)CC2,NJHRBIJNEZXHEK-UHFFFAOYSA-N
|
| 41635 |
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C1E2A9CA89E34CD9_71DDEC45E230D321_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N)NC(C2=CC(=CC3=C2N=CC=C3)OC)=O,GHKRJOJTUCUEBA-UHFFFAOYSA-N
|
| 41636 |
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C57054CCBF347AFA_B3619F12585CBFA8_6041_UN,FC2=C1N=CC=CC1=CC(=C2)NC[C@@H]3CCCN(C)[C@H]3C4=C[N](N=C4)C,MHVDEKBNDCNXOT-MGPUTAFESA-N
|
| 41637 |
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C763901EF780D429_0F2FBA8EF376E809_7019_UN,COCC3(C=CC1=CC=CC(=C1F)C2CC2)CCOCC3,ARKYHUWREUBKPX-UHFFFAOYSA-N
|
| 41638 |
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C98D6EC08B8BE9B4_8BE8720CE757D463_6041_UN,FC2=C1N=CC=CC1=CC=C2NC[C@@H]3CCCN(C)[C@H]3C4=C[N](N=C4)C,MYYWVPAIOCEJNM-MGPUTAFESA-N
|
| 41639 |
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CB4FB39FD94FA227_90927568A221B6E4_6035_UN,O(CC1=CC=C(C=C1)C2(F)COC2)C3=C(C=C(OC)C=C3)[S](=O)(=O)Cl,YMJCNJUMZKWFNN-UHFFFAOYSA-N
|
| 41640 |
+
CB83375A8DA97E97_76FF9EFF67A61A4C_6041_DP,FC2=C1C=CC=CC1=C(C=C2)NC[C@@H]3CNC[C@H]3C4=CN=C[N]4C,WSYDJVBMXQDWCY-XJKSGUPXSA-N
|
| 41641 |
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CC4FDD4C2BB33D0F_3FB5BD6764BCE89C_6041_UN,CC1=NC(=C(C=C1)[N](=O)=O)NC2=CC(=C(C=C2)C)OC,MORLRBFRQZFGCU-UHFFFAOYSA-N
|
| 41642 |
+
CFA70ED22232AD3E_D81B7509243B194F_7022_UN,C1(=C(C=CC(=C1)C2(CC2)C#N)F)NCC3=NC=CC(=C3)N(C)C,VMPIXCRNSXOXKC-UHFFFAOYSA-N
|
| 41643 |
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D331535E96E0B162_F93DC852A3257FC4_6026_UN,ClC1=CC2=C(C=C1)C=C(C=C2)[S](=O)(=O)N4CC(C3=C(OC)C=CC=C3Cl)OCC4,KCYBJPQTRMSFQO-UHFFFAOYSA-N
|
| 41644 |
+
D3BD801BA2370478_A66F8B9CDB68F86F_6035_UN,CN(C)CC1(CCNCC1)OC2=CC=C(C(C)(C)C(F)(F)F)C=C2,DTAUMXKSGWUUKN-UHFFFAOYSA-N
|
| 41645 |
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D62D41DCB008CA53_7F8545D5FD888D0A_6034_DP,ClC1=CC=C(C=C1)C2=C[N](C(=N2)C3NCCC3)CC4(CCN4)C,VXUCFCLUGLXAOL-UHFFFAOYSA-N
|
| 41646 |
+
D8BB67B0B0CB8A1C_2960634E3CCEB0D5_6041_UN,FC2=C1N=CC=C(C1=CC=C2)N[C@@H]3COC[C@H]3N(C)C,JAIIEHCKZPRAIN-ZIAGYGMSSA-N
|
| 41647 |
+
DB2DB25E658D8540_3AC26BB36FCE5144_6035_UN,CC3(C)[C@@H](OC2=C1N=CC=CC1=C(C=C2Br)Br)[C@H]4CCCN[C@@H]34,XQYRWARJQCKNMX-JECHBYEQSA-N
|
| 41648 |
+
DBB41E38DAC3832F_7A2229DB9B248716_6039_UN,O(C2CN1C=CC=CC1=NC2)CC4=C3N=CC=CC3=C([N](=O)=O)C=C4,XGUKEEPNMXQDJW-UHFFFAOYSA-N
|
| 41649 |
+
DFC036ED67CB4F51_118F1B789D40423E_6038_UN,COC1=C(C=CC(=C1)[S](=O)(=O)N)NC(CC2=CSC3=C2C=C(C)C=C3)=O,UPKMBSOSFNMXCE-UHFFFAOYSA-N
|
| 41650 |
+
E189E9AF224B5E08_90BF3F7537304A58_6029_UN,N(C1=C(C=CC=C1)[As](=O)(O)O)[S](C2=C(CBr)C=CC(=C2)C#N)(=O)=O,YJGXWFRUKWZJBY-UHFFFAOYSA-N
|
| 41651 |
+
E1D8CF28D1660721_D0D4F9CC9E899145_6038_UN,CC1=C(C=C(C=C1)[S](=O)(=O)N)NC(C3=CC(=C2N=CC=CC2=C3)OC)=O,XPNTXJZQUABVTM-UHFFFAOYSA-N
|
| 41652 |
+
E2665B4B7C51924F_E2B9BBFAA0E51394_6026_UN,[S](=O)(=O)(C1=C(C=CC=C1)C2CC2)N(C)CC3=CC4=C(C=C3)C=C(OC)C=C4,DZCSRIBBLMJMFR-UHFFFAOYSA-N
|
| 41653 |
+
E388A184783FDFF2_739B5FA0088D22A6_6026_UN,[S](=O)(=O)(C2=C1C=CC=C(C1=CC=C2)N=[N]#N)N4CC(C3=CC=C(OC)C=C3)OCC4,JDXQGZRSMTUMRD-UHFFFAOYSA-N
|
| 41654 |
+
E7577C90C0D49B49_2D2644B55D4C321A_6029_UN,N(C1=C2C(=NC=C1)C=CS2)[S](C3=CC=CC(=C3)P(N(C)C)N(C)C)(=O)=O,UGDGPAIBSHSUIQ-UHFFFAOYSA-N
|
| 41655 |
+
EEF7A9186F84D9A3_4671288F098387C9_6041_UN,C[S](=O)(=O)OCC1=C(C=CC(=C1)F)NCC3=CN=C(OC2=CC=CC(=C2)OC)C=C3,JNPQLEPGGHDDGQ-UHFFFAOYSA-N
|
| 41656 |
+
F1340848F7984DA7_6C0685714FEF2B4B_6041_UN,FC2=C1C=NC=CC1=C(C=C2)N[C@@H]3COC[C@H]3N(C)C,RQHJOHLLVRNWGK-HUUCEWRRSA-N
|
| 41657 |
+
F2AD55A1B366E4C5_D1792E41C46B97FF_6026_UN,ClC1=CC(=C(C=C1)C2CC2)[S](=O)(=O)NCC3=CC(=C(OC)C=C3)OC,BHBUBJVQZSGMGU-UHFFFAOYSA-N
|
| 41658 |
+
F3D9E3A91B463CCD_5DC743A43DE7664E_6035_UN,CN(C)[C@@H]1COC[C@H]1OC2=C(C=CC=C2)C3=CCCNC3,SYMWFIVSMRYYCV-NVXWUHKLSA-N
|
| 41659 |
+
F66A9FC1F900AEE5_39DADB3D5F2935C5_6035_UN,CC3(C)[C@@H](OC2=C1N=CC=CC1=C(C=C2Cl)Cl)[C@H]4CCCN[C@@H]34,XROWPJYIOZBTMX-JECHBYEQSA-N
|
| 41660 |
+
F6BEA09F1FF74A98_6E6B3D2F29DED79D_6029_UN,OC(=O)C1C2N(CC(C1)C=C2)[S](C4=CC(=C3N=CC=CC3=C4)CBr)(=O)=O,NZPQCKIMVFPKCO-UHFFFAOYSA-N
|
| 41661 |
+
F8DC9F6971AEB432_60945294F052E87E_6041_DP,COC1(COC1)C2=CC=C(C=C2)NCC3(CCCN3)C,QKYIPZWQOOHEQU-UHFFFAOYSA-N
|
| 41662 |
+
F8F9B7B66C99CB2A_4F05FA72CFA3E550_6039_UN,COC1=CC(=C(C(=C1)F)C(C)OCC(OC)C2CCC2)F,DJDJDJJDPKLTBV-UHFFFAOYSA-N
|
| 41663 |
+
FEDCB19877F74ACE_BB47B0D64DB68940_6041_UN,CCCCOC1=CN=C(C=C1)NC3=C(C=C2CCOC2=C3)[N](=O)=O,MKBIPSYJZVEPDL-UHFFFAOYSA-N
|
| 41664 |
+
FF1F595E66C23A7A_3AF8AD8B85DB4B8E_6041_UN,CC1=C(C(=CC=C1[N](=O)=O)NC2=C(CCOC)C=CC=C2)[N](=O)=O,IVVSMYBBVQFMSR-UHFFFAOYSA-N
|
| 41665 |
+
rxn:2:103853:130174,CC1CCC(CCC(C)NCCN2CCC(N(C)C)C2)CC1,QSRMNNLTBWZZDP-UHFFFAOYSA-N
|
| 41666 |
+
rxn:2:108451:116028,CN(CC1CC1)CC1CCCCCC1NCc1ccnc(OC2CCC2)c1,WVZNVEHKJXJVAM-UHFFFAOYSA-N
|
| 41667 |
+
rxn:2:133016:139616,CC(CCN(C)CC1CC1)NCCN1CCC(N(C)C)CC1,DRSKZIKRBMIRAP-UHFFFAOYSA-N
|
| 41668 |
+
rxn:2:66082:99956,COc1cc(OC)c(C2(NC3CC4CCC(C3)S4(=O)=O)COC2)c(OC)c1,WLVPYGXTDJUNHA-UHFFFAOYSA-N
|
| 41669 |
+
rxn:2:76539:132525,CC(CCCN(C)C1CCCC1)NC1(CN(C)C)CCC1,GAVDRNURSVEOFM-UHFFFAOYSA-N
|
| 41670 |
+
rxn:2:84662:116028,CN(CC1CC1)CC1CCCCCC1NCc1ccnc(OC2CCCC2)c1,MNSUXRCGVXSPDO-UHFFFAOYSA-N
|
| 41671 |
+
rxn:2:84662:94584,CN(CC1CC1)CC1CCCCC1NCc1ccnc(OC2CCCC2)c1,CYSDTGOEPHNOEC-UHFFFAOYSA-N
|
| 41672 |
+
rxn:2:85458:130174,CC1CCC(CCC(C)NCCN(C)C2CCC(N(C)C)CC2)CC1,JKEPULFFNWWNEF-UHFFFAOYSA-N
|
| 41673 |
+
rxn:2:86625:134293,COC(CCNCC(OC)C1CCOC1)c1ccc2c(c1)OCCCO2,TZXJGPLMCLXIMH-UHFFFAOYSA-N
|
| 41674 |
+
rxn:2:94584:108128,CN(CC1CC1)CC1CCCCC1NCc1ccnc(OC2CCCCC2)c1,MRAFIGNAUOESLA-UHFFFAOYSA-N
|
| 41675 |
+
rxn:2:95269:166208,COc1c2c(c(C(C)NCCCN3CC4CC4C3)c3c1OCO3)CCN(C)C2,LPRTXWFGKSZMJX-UHFFFAOYSA-N
|