Added 196 molecules from epoch 16467 for Q8R090
Browse files- Q8R090_molecules.csv +196 -0
Q8R090_molecules.csv
CHANGED
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@@ -35299,3 +35299,199 @@ rxn:2:149595:77042,,
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| 35299 |
rxn:2:149595:90884,,
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| 35300 |
rxn:2:78760:76391,,
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| 35301 |
rxn:2:96306:149595,,
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| 35299 |
rxn:2:149595:90884,,
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| 35300 |
rxn:2:78760:76391,,
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| 35301 |
rxn:2:96306:149595,,
|
| 35302 |
+
001BFDE6E5FE3AB4_E70F6C36797F6CC2_6041_UN,O=[N](=O)C2=C1C(=CN=CC1=CC=C2)NC3=C(C=CC=C3)N4CCOC4=O,NOMOBOWACJRCLV-UHFFFAOYSA-N
|
| 35303 |
+
0381D7A745646233_D9DD2BAB93CC14FC_6035_UN,O(CC1=CC2=C(C=C1)C=CC(=C2)CC#N)C3=NC=C(C=N3)[N](=O)=O,AEWKVWJVRZHUBM-UHFFFAOYSA-N
|
| 35304 |
+
05B0457C831B866A_551F9E0F0909BB99_6034_UN,O=[N](=O)C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC4=C(C=C3)OCCO4,USIBQNSHOZDZKH-UHFFFAOYSA-N
|
| 35305 |
+
0648BC0D59613E7A_3903D5A9018437A6_6041_UN,O=[N](=O)C1=CN=C(N=C1)NC2=CC=C(C=C2)C3=CSC4=NCCCN34,WGZPQXODKPWULD-UHFFFAOYSA-N
|
| 35306 |
+
068A4460323031CB_B324E661E6BA4547_6041_UN,OC(=O)C1=C[NH]C=C1N[C@@H]2C3=C(CCC2)C=CC(=C3)F,MNJLUDKNHCFFSJ-ZDUSSCGKSA-N
|
| 35307 |
+
0856ED2DA7EF56B5_8A156F18F3D7EDCF_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCOC2=O)NC3=C(C=CN=C3)F,LPWSUKUOWDHTLH-UHFFFAOYSA-N
|
| 35308 |
+
0B568D7182EB7A3E_21B86F13104FB228_6034_UN,NC1=NN=C(N1CC2=C(SC(=N2)C3CC3)Br)C4CCCC4,LWLJBTMBZXTTRR-UHFFFAOYSA-N
|
| 35309 |
+
0CA7206B91F50B17_7C8CDAD6A17CC46D_6035_UN,O(CC1(COC1)C#N)C2=NN=C(C=C2)C3=CC=C(Cl)S3,BFBAQVJCTAMZBL-UHFFFAOYSA-N
|
| 35310 |
+
0CC026EA14E7E39D_66ACF6F26DF1495D_6038_UN,ON=CC2=C1C=CC=CC1=CC=C2OC(=O)C3CCOC4=C3C=CC=C4F,ZLRBJOBFUIGOGP-UHFFFAOYSA-N
|
| 35311 |
+
0DD81FFFA25AEF2A_E94CF063C0C05D18_6039_UN,COCC23CC(COCCOC1(CCC1)C#N)(C2)OC3,FSCLOQSRASMNLE-UHFFFAOYSA-N
|
| 35312 |
+
1526D93C95473A03_4CE00857513EC853_6041_UN,O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)NC3=CN=C(C=C3)F,YNHKUBXCWSSLBZ-UHFFFAOYSA-N
|
| 35313 |
+
17091DBC04AEDAD0_66D13F3A9EF0B05E_6029_UN,O=[N](=O)C2=CC1=C(C=CC=C1)[N]2[S](C4=NC=C3[NH]C=C(C3=C4)I)(=O)=O,WYBIFUILJYFEPH-UHFFFAOYSA-N
|
| 35314 |
+
1756A9AE4BDD72AE_02ECC92178C4F885_6039_UN,O(CC1CO[S](=O)O1)CCCC2=NC(=NO2)C3=CC=CS3,TUJUGKQBZKGZQO-UHFFFAOYSA-N
|
| 35315 |
+
1959B8356E218095_24BD7F15633D1B9C_6031_UN,COC14CCC(CC1)(C(=O)OCC3(CN)CC2CC2C3)CC4,GLOCFBFMKWQPDI-UHFFFAOYSA-N
|
| 35316 |
+
1A032FE9144E8F32_D1DD7E1F213D9F14_6038_UN,N(C1CC[S](CC1)=O)C(=O)CC2=CSC(=N2)C3=CC=C(C=C3)F,USHQHRXBIMUYEN-UHFFFAOYSA-N
|
| 35317 |
+
1D391359372D2673_06EB69FAF29CCA82_6041_UN,C1(=CC2=C(C=C1)SC(=N2)CC#N)NCC3=NNC(N3C)=O,MHTAEDMNHFPXAO-UHFFFAOYSA-N
|
| 35318 |
+
1F9B8E841059B62D_A7EF80AD0B82582D_6029_UN,ON(C=C2C=C1C=CC=CC1=NC2=O)[S](C4=CC=C3C=CC=CC3=C4Cl)(=O)=O,DNMRLMYTIQLWKF-UHFFFAOYSA-N
|
| 35319 |
+
1FF98CBA4AC44BF2_7B8F6FA552AAA2ED_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2(CCC2)C3=NOC=N3)C#N,LULKTSBARZODQP-UHFFFAOYSA-N
|
| 35320 |
+
1FF98CBA4AC44BF2_D613B98EE0C5FD53_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NC2(CCC2)C3=NOC=N3)C#N,LULKTSBARZODQP-UHFFFAOYSA-N
|
| 35321 |
+
21DC7B855C6195CB_57AE89C2A99C0BBC_6038_UN,N([C@H]1CCC2=C(C=CC=C12)[N](=O)=O)C(=O)CC3=CN=C(C=C3)C#N,HGVDFXNSJQKYBH-HNNXBMFYSA-N
|
| 35322 |
+
21F1627752118029_0259FEDE45F953A6_6038_UN,O(C1=CC2=C(C=C1)CCC2=O)C(=O)C[S](=O)(=O)C34CC(C3)C4,DCPAEMKEKZEHDS-UHFFFAOYSA-N
|
| 35323 |
+
23E46F5FD08319E8_0D586BB158C1E1AD_6031_UN,O(C(=O)CC1=CSC2=NCCN12)CC3=NC=C(O3)C4=CC(=CC=C4)Cl,QSVWSXWDURDMMU-UHFFFAOYSA-N
|
| 35324 |
+
2457828738FB2313_23670F3AA6C5ED53_6041_UN,O=[N](=O)C1=CC(=C(C=C1)N[C@@H]2CC[C@H](CC2)C3=N[NH]C=N3)C#N,OEBUZWBLAFMUEG-UMSPYCQHSA-N
|
| 35325 |
+
2457828738FB2313_8EFBD91114AAB2ED_6041_UN,O=[N](=O)C1=CC(=C(C=C1)N[C@@H]2CC[C@H](CC2)C3=N[NH]C=N3)C#N,OEBUZWBLAFMUEG-UMSPYCQHSA-N
|
| 35326 |
+
24A3E5EEF8D0E5F3_96FD3E43F6509178_6029_UN,N(C2=C1C=CC=CC1=C(C=C2)[N](=O)=O)[S](C4=C[N]3C(=NC=C3C=C4)O)(=O)=O,QNTVBGVVLNMZQE-UHFFFAOYSA-N
|
| 35327 |
+
269405FEEF9B95F3_DACC3FA25B4771AE_6034_UN,O=[N](=O)C2=CC1=C(CCCC1)N(C2=O)CC3=NC=C(O3)C4=CC=CC=C4,WMNZGCBXSHRWKB-UHFFFAOYSA-N
|
| 35328 |
+
2BC93BDDC999016B_C23BEB10ACDEC6DF_6038_UN,N(CCN=[S]1(CCCC1)=O)C(=O)C2=C(C=CC(=C2)C3CC3)F,BCNCCSBHICKZRU-UHFFFAOYSA-N
|
| 35329 |
+
2C5DE57FD1E8470C_4BEF0634C3576306_7022_UN,COCOC1=C(C=C(C=C1)OC2(CCCC2)C3CO3)Cl,VGCONGSZFCYJHB-UHFFFAOYSA-N
|
| 35330 |
+
2F5CC48DD2797BB2_613808E697A2BB6B_6041_UN,O=[N](=O)C1=CN=C(N=C1)NCC2(CCC2)C3=CC=C(C=C3)F,CDUAQAGEXBPOLO-UHFFFAOYSA-N
|
| 35331 |
+
2F93634B261F59A9_D2D8419A8B09E258_6004_UN,O=[N](=O)C1=C(C=C(C(=C1)C3=C2CCOC2=CC=C3)Cl)F,PXADNYQVCZOHRV-UHFFFAOYSA-N
|
| 35332 |
+
353F18E9C8FC9178_78866261375D262C_6038_UN,N(C2=CC1=NNC(N1C=C2)=O)C(=O)C3(CCC3)C4=CC(=CC=C4)F,HHZXJKFSKIDTTC-UHFFFAOYSA-N
|
| 35333 |
+
35E389C5E0560CDF_D993CCE6A08B99F9_6031_UN,C[N]2C=C(C(=O)OC[C@H]1CC[C@@H](N(C)C)C1)C(=N2)C3CCC3,KUQBKLFXHNDNHF-GXTWGEPZSA-N
|
| 35334 |
+
361021ADCAF151B3_25D0E777D2102C71_6039_UN,COC(=O)C4C[C@@H]3CC(OCC2CN=C(C1=CC=C(OC)C=C1)S2)[C@@H]3C4,FHTAACJLSJWWLB-NOEFMOESSA-N
|
| 35335 |
+
368A1AF80C2B716A_8F17E89F50F00565_6039_UN,OC(=O)[C@@H]1CSC(=N1)C2=C(C=CC=N2)OCC3=NC=CC(=C3)C#N,KTTNOGHMCBBYLM-LBPRGKRZSA-N
|
| 35336 |
+
3B728AB7CDEFE911_40B8D40780D92E62_6026_UN,[S](=O)(=O)(C1=CC(=CN=C1)Br)NCC2=CC=C(C=C2)N3CCCCC3=O,ILGYFXKVNNXJLX-UHFFFAOYSA-N
|
| 35337 |
+
3CEE9A9C5EC8DD60_94C3293DB0AFDFDB_6041_UN,O=[N](=O)C2=C1OCCC1=CC(=C2)NCCOC3=CC(=CC=C3)F,PKFQSMLZRIMKRP-UHFFFAOYSA-N
|
| 35338 |
+
3D7E6736E015A175_B46014157F70CF71_6029_UN,O=[N](=O)C2=CC1=C(C=CC=C1)[N]2[S](C3=CN=CC4=C(C)C=CC=C34)(=O)=O,CLJGSBVTOAVKIT-UHFFFAOYSA-N
|
| 35339 |
+
3E3955BB4B9C7FED_1B433C5149E060FB_6029_UN,O=[N](=O)C1=CC2=C(C=C1)C=C[N]2[S](C4=CC3=C(O)C=CC=C3S4)(=O)=O,DEXRSAMNIKJRSE-UHFFFAOYSA-N
|
| 35340 |
+
3F2E880D3FD03504_5531490700557904_6035_UN,O(CC1(CBr)COC1)C2=C(OC)C=C(C=C2)CC3CC3,BOGFCTWYSMMFRM-UHFFFAOYSA-N
|
| 35341 |
+
3F97F01AE17598F8_4B7426B67033FDAA_6038_UN,N(C2=CC1=NNC(N1C=C2)=O)C(=O)C3(CCCC3)C4=CC=C(C=C4)F,QEZIJBGLVWAQCS-UHFFFAOYSA-N
|
| 35342 |
+
41393D2D63C3126A_A22644EFA1BF4880_6041_UN,O=[N](=O)C1=C(C2=C(N=C1)C=CC(=C2)F)NC4=C3OCCCC3=CC(=C4)F,IDEWFWXQPBYXLJ-UHFFFAOYSA-N
|
| 35343 |
+
47B81AA3B50E654C_76EDAF3FD7E6A6FD_6029_UN,O=[N](=O)C1=CC2=C(C=C1)C=C[N]2[S](C4=CC3=C(N=C(Cl)C=C3)C(=C4)Cl)(=O)=O,PIMPPNTXTPEWDE-UHFFFAOYSA-N
|
| 35344 |
+
48DC5F325A6D0D33_5868E6CF79EAF478_7015_UN,FC1=CC2=C(C(=C1)Br)N(C=CC2=O)[S](=O)(=O)C3=CC4=C(C=C3)OCCC4,VIFYCSACSVNYCR-UHFFFAOYSA-N
|
| 35345 |
+
4D091C61324C0AA5_0E33D2434D25FD6F_6038_UN,N(C1=CC(=C(C=C1)C2CC2)C#N)C(=O)C(=CCCF)F,BFNIYFGYNYAHPA-UHFFFAOYSA-N
|
| 35346 |
+
4FC8C9FBB34BFD42_6DECAEBD740861F1_6041_UN,C[N]1C(=NC2=C1C=CC=C2F)N[C@@H]3CC[C@H](CC3)C4=N[NH]C=N4,QLGVVIRNNLWBKO-XYPYZODXSA-N
|
| 35347 |
+
50DEBB483558DC85_0B1EACC0D771CBF5_6041_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)NCC4=C[N]3C=CC=C(C)C3=N4)=O,JURWTLMMWPQEBB-UHFFFAOYSA-N
|
| 35348 |
+
52611C5CC7D90E23_778101E297FE19BB_6029_UN,O=[N](=O)C1=CC2=C(C=C1)C=C[N]2[S](C4=C(Cl)C=C3OCOC3=C4)(=O)=O,UPBCWSQZHOHXDC-UHFFFAOYSA-N
|
| 35349 |
+
596F71FFAE8677CC_794A030450B940F3_6031_UN,O(C(=O)CC1=CSC2=NCCN12)CC4=CC3=C(C=CC(=C3)C)N=C4Cl,TXQVVBJYGBCFTK-UHFFFAOYSA-N
|
| 35350 |
+
59C3D05ACB79824D_FBA8FA6F0253AF00_6034_DP,SC1=NC(=C[N]1CC2(CNC2)C#N)C3=CC(=CC=C3)Br,ACJGNPLDGWZHRG-UHFFFAOYSA-N
|
| 35351 |
+
5CA061E5C8E03A8B_CB3937B617BCB877_6038_UN,N(C(=C(C#N)C#N)CC#N)C(=O)C1=CSC(=N1)C2=NN=C[NH]2,MJNQINVNLCRSSX-UHFFFAOYSA-N
|
| 35352 |
+
5E35EDDDB79D6088_C042DCB7A55B159D_6038_UN,N(C1=C(C=CC=C1)SCC=C)C(=O)[C@@H]2CSC(=N2)C3=CC=CC=C3,ZXDUEPNINAMJRA-INIZCTEOSA-N
|
| 35353 |
+
62DEA0E8B52F3E2F_8E35E94736B7C8BE_6041_DP,OC(=O)C1=C(C(=CC=C1)C#N)N[C@H]2[C@H](CCNC2)C3=CC=C(C=C3)F,KULGQKAJVPVNAM-NVXWUHKLSA-N
|
| 35354 |
+
6A2552F5DFD9A926_79DE390321884BF3_6041_UN,O=[N](=O)C1=C(C=CN=C1)NCC2=C3C(=CC(=C2)F)COCO3,FPVQZSILUQJVJH-UHFFFAOYSA-N
|
| 35355 |
+
6AAEBE8BE3E5426F_3EAB51D695C66B45_6041_UN,O=[N](=O)C1=CC(=C(C=C1)NCCCC2=CC3=C(C=C2)OCO3)N4CCOC4=O,JBADQICWZUCAHE-UHFFFAOYSA-N
|
| 35356 |
+
6D2614C8240A17A7_990DBF1D05064481_6035_UN,O(CC1CC3(C1)CC2(CCC2)C3)C4=C(OC)C=CC(=C4)CCC(=O)C,PEMRRQWDTCYYIM-UHFFFAOYSA-N
|
| 35357 |
+
6FDA2D4397A947BD_7784BD5A0388477C_6041_DP,OC(=O)C1=C(C(=CC=C1)C#N)N[C@H]2[C@H](CCNC2)C3=CC(=CC=C3)F,QWVPWTPDCMVCSZ-NVXWUHKLSA-N
|
| 35358 |
+
6FF1BC41BF9FD580_6980FC0AC0E87344_6038_UN,N(C1=CC=C(C=C1)CCC#N)C(=O)[CH]2CC[C](=[C](F)F)CC2,RBWDCRKAGOCFRM-UHFFFAOYSA-N
|
| 35359 |
+
77CA86ED5AB5FFE7_B47F44F5DDD5AFB4_6035_UN,O(C1(CCCCC1)C#C)C2=CC=C(C=C2)C3=CC=C(C=C3)Br,SPKVOICUPDPYHA-UHFFFAOYSA-N
|
| 35360 |
+
79C70E269483050B_887F9C30A6677699_6041_UN,OC(=O)C1=CC(=C(N=C1)NC2=CC=C(C=C2)C3=CSC4=NCCCN34)F,KFDTVQLAYHQDTL-UHFFFAOYSA-N
|
| 35361 |
+
7DAA74A58CF9C883_E9C0C64F15763685_6041_UN,OC(=O)C1=CC2=C(C=C1)[NH]C=C2N[C@@H]3C4=C(CCC3)C(=CC(=C4)F)F,ZSSDSKALSDZWNR-KRWDZBQOSA-N
|
| 35362 |
+
7E11338DB234961A_94454A483CBF11DA_6038_UN,O(CC[C@@H]1C[C@H]1C2CC2)C(C3=C(SN=C3OC)OC)=O,ANWWVKXOFUUWQQ-ZJUUUORDSA-N
|
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FC87DED4869C5570_BBAE4102290ACE57_6041_UN,OC(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)C3=CSC4=NCCCN34)F,MOTPHODCFHAQTN-UHFFFAOYSA-N
|
| 35443 |
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FD33A68FAD1A6766_D5B2F0D9F3E2D090_6029_UN,O=[N](=O)C1=CC2=C(C=C1)C=C[N]2[S](C4=C(Cl)C=C3CCOC3=C4)(=O)=O,NPDJNOKOFSNNJS-UHFFFAOYSA-N
|
| 35444 |
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rxn:2:100415:111731,,
|
| 35445 |
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rxn:2:100908:100620,,
|
| 35446 |
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rxn:2:100908:122899,,
|
| 35447 |
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rxn:2:100908:129643,,
|
| 35448 |
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rxn:2:100908:66605,,
|
| 35449 |
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rxn:2:100908:82715,,
|
| 35450 |
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rxn:2:100908:92343,,
|
| 35451 |
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rxn:2:104688:106534,,
|
| 35452 |
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rxn:2:109092:76391,,
|
| 35453 |
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rxn:2:111731:100415,,
|
| 35454 |
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rxn:2:113844:122355,,
|
| 35455 |
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rxn:2:118159:122899,,
|
| 35456 |
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rxn:2:118159:66605,,
|
| 35457 |
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rxn:2:118159:82715,,
|
| 35458 |
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rxn:2:118159:92343,,
|
| 35459 |
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rxn:2:122184:76391,,
|
| 35460 |
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rxn:2:122355:113844,,
|
| 35461 |
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rxn:2:122355:132691,,
|
| 35462 |
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rxn:2:123012:128463,,
|
| 35463 |
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rxn:2:123012:76391,,
|
| 35464 |
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rxn:2:124396:73798,,
|
| 35465 |
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rxn:2:128463:113844,,
|
| 35466 |
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rxn:2:128463:122184,,
|
| 35467 |
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rxn:2:128803:133935,,
|
| 35468 |
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rxn:2:130970:128803,,
|
| 35469 |
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rxn:2:130997:76179,,
|
| 35470 |
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rxn:2:132691:122355,,
|
| 35471 |
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rxn:2:132691:130997,,
|
| 35472 |
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rxn:2:132691:78637,,
|
| 35473 |
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rxn:2:133935:128803,,
|
| 35474 |
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rxn:2:134281:167850,,
|
| 35475 |
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rxn:2:138255:122355,,
|
| 35476 |
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rxn:2:67866:73798,,
|
| 35477 |
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rxn:2:69265:76391,,
|
| 35478 |
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rxn:2:73798:124396,,
|
| 35479 |
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rxn:2:73798:66066,,
|
| 35480 |
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rxn:2:73798:76981,,
|
| 35481 |
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rxn:2:73798:79789,,
|
| 35482 |
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rxn:2:76179:76391,,
|
| 35483 |
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rxn:2:76391:109092,,
|
| 35484 |
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rxn:2:76391:114147,,
|
| 35485 |
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rxn:2:76391:122184,,
|
| 35486 |
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rxn:2:76391:123012,,
|
| 35487 |
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rxn:2:76981:73798,,
|
| 35488 |
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rxn:2:78637:132691,,
|
| 35489 |
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rxn:2:82715:118159,,
|
| 35490 |
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rxn:2:83029:113025,,
|
| 35491 |
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rxn:2:83924:76391,,
|
| 35492 |
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rxn:2:84646:73798,,
|
| 35493 |
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rxn:2:85978:113564,,
|
| 35494 |
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rxn:2:87971:122355,,
|
| 35495 |
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rxn:2:87971:76391,,
|
| 35496 |
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rxn:2:92343:118159,,
|
| 35497 |
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rxn:2:97932:167850,,
|