Added 81 molecules from epoch 16595 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +81 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -18649,3 +18649,84 @@ FC3A0F022375AE6E_3362AA29D9EAF2C5_6034_UN,O=C3N(C1=C(CC(CC1)C2=CC=CC=C2)C=C3C#N)
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| 18649 |
FC6A009DBCFA91FC_EE0AFB730AEC7FB1_6038_DP,S(C1=CC=C(C=C1)C#N)C(C3(ON=C(C2CNC2)C3)C)=O,MKOOYNQWZDZVQZ-UHFFFAOYSA-N
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| 18650 |
FDE9708F7B74B2C2_88C4F90C93477358_6041_DP,CC(C#N)C1=CC=C(C=C1)NC(C2CNC2)C3=CC=C(C=C3)F,GHQXANZDIPYRRG-UHFFFAOYSA-N
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| 18651 |
FDE9708F7B74B2C2_BE947E28BDB79614_6041_DP,CC(C#N)C1=CC=C(C=C1)NC(C2CNC2)C3=CC=C(C=C3)F,GHQXANZDIPYRRG-UHFFFAOYSA-N
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| 18649 |
FC6A009DBCFA91FC_EE0AFB730AEC7FB1_6038_DP,S(C1=CC=C(C=C1)C#N)C(C3(ON=C(C2CNC2)C3)C)=O,MKOOYNQWZDZVQZ-UHFFFAOYSA-N
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| 18650 |
FDE9708F7B74B2C2_88C4F90C93477358_6041_DP,CC(C#N)C1=CC=C(C=C1)NC(C2CNC2)C3=CC=C(C=C3)F,GHQXANZDIPYRRG-UHFFFAOYSA-N
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| 18651 |
FDE9708F7B74B2C2_BE947E28BDB79614_6041_DP,CC(C#N)C1=CC=C(C=C1)NC(C2CNC2)C3=CC=C(C=C3)F,GHQXANZDIPYRRG-UHFFFAOYSA-N
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| 18652 |
+
02365B7AAF1F91DC_4D3FB983BC7D1D02_6034_UN,SC1=NN=C(N1CC23CCCN(CCC2)C3)C4=CC=C(C=C4)Br,HEJJRXQTQMJDDF-UHFFFAOYSA-N
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| 18653 |
+
02B68DB9160B058F_9857406EF3148F92_6004_UN,OC(=O)C1=CC(=C(C(=C1)F)C2=CC3=C(C=C2)OCC3)[N](=O)=O,IEZHDQDSEKILQI-UHFFFAOYSA-N
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| 18654 |
+
034D6368F2E2EF58_4F16B534D3EEFA76_6004_UN,O=[N](=O)C1=C(C(=CC(=C1)C2=CC=C(O2)C3CC3)Cl)C#N,NWYGVOFKRVVISM-UHFFFAOYSA-N
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| 18655 |
+
08740D996188A16A_52DFD1737F878724_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC(F)(F)C3CC3,ZTXHHYHMUZYJHJ-UHFFFAOYSA-N
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| 18656 |
+
0B1A41CAF4009200_F5E5836774577904_6035_UN,O(C1CCC2COCC1C2=O)C4=NC3=CC(=C(OC)C=C3N=C4)OC,VYYVYWSBQYMJNG-UHFFFAOYSA-N
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| 18657 |
+
0B6DCCA5C38EE184_67AB4ED879AC7E33_6034_UN,S=C1C=CN(C=N1)CC3CN(C2=CC=CC(=C2)C)C(O3)=O,AEGHXEIYRGDZKY-UHFFFAOYSA-N
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| 18658 |
+
0BBC43DC098AF453_84E754B2152CAE87_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC=C3CNC3,OLEVLTKLTPKJFK-UHFFFAOYSA-N
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| 18659 |
+
0C03E3B659125641_06A579ACFC9B8BAF_6034_UN,O=C2[C@H]1CCNC[C@H]1C(N2CC3=CC4=C(C(=C3)Cl)OCCO4)=O,WNENZBZXSYBOBH-WDEREUQCSA-N
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| 18660 |
+
0EA894F1B19FA3BD_593690F84D749BC8_6003_UN,O(CC1=N[NH]C(=C1)C2CC2)C3=CC(=CC=C3[N](=O)=O)[S](=O)(=O)Cl,PQZSGIOBIAFHEU-UHFFFAOYSA-N
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| 18661 |
+
0F1C0CC0FE0B2258_4E3D49D1B133263D_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CCOCC3,QCNJDASJAASRIB-UHFFFAOYSA-N
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| 18662 |
+
10775338DB1B9C96_42289FA6AA330540_6004_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)C3=C(C)C=CC(=C3)Cl)=O,WJXABEZTTVUDSU-UHFFFAOYSA-N
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| 18663 |
+
152186A4480B4A32_467EDF655938C1AD_6035_UN,NC13CC2(CC(C1)CC(C2)(C3)OC4=C(N=C(C=C4)I)Br)N,WVEGIZGUFJVNNA-UHFFFAOYSA-N
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| 18664 |
+
1966C052A867D38A_FCA52AA03A6FF707_6035_UN,CC(C)C2CCC(COC1=C(OC)C=CC(=C1OC)Br)CC2,MVUDRQUSDHXOHH-UHFFFAOYSA-N
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| 18665 |
+
1C7240A16580D34F_C6216ACAE3EA0A36_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC(CC4=C(OC)C=CC(=C4)Br)CN,BZLDADVRQXRLDA-ABTCGYHWSA-N
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| 18666 |
+
2170495F3ADE4132_FC69E5EED5B99531_6031_UN,CN1CC(NC1=O)C(=O)OCC2CCC(OC(C)C)CC2,ORZVTOWIAOTMFB-UHFFFAOYSA-N
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| 18667 |
+
279F89AD3DA864D0_D9B5B4A6E1B408E7_6041_UN,O=[N](=O)C2=C1N=C(C=CC1=CC(=C2)F)NC3=C(N=CC=C3)S,UZONLHZTMYDKER-UHFFFAOYSA-N
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| 18668 |
+
318BB7A6DF082E10_79F5F94BB8BFB9AE_6034_UN,SC1=NN=C(N1CC23CCCN(CCC2)C3)C4=C(C=CC=C4)Br,FNFYTKQKINIQFX-UHFFFAOYSA-N
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| 18669 |
+
35A01194B2AFBF64_179772A94FBF65D4_6029_UN,N(C12CCC(CC1)(N=[N]#N)C2)[S](C3=N[N](C=C3)CCC#N)(=O)=O,LXBRPXNTQFNXAD-UHFFFAOYSA-N
|
| 18670 |
+
3E2BD77B83ECB13B_79741CE64A5B19C8_6034_UN,CN1C=C(C#N)C(=O)N(C1=O)CC2=COC(=N2)C3CC3,RONRQABQVHOXLF-UHFFFAOYSA-N
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| 18671 |
+
3E61759F448DEE82_BDBCC0275748B183_6038_UN,N(CC12CC(C1)(C#N)CO2)C([C@]34COC[C@H]3CN(C(OC)=O)C4)=O,RBUBWMHLGRUVEN-JGVXXWTJSA-N
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| 18672 |
+
44DD14E22AF65D77_20A9441E8DF6EE97_6038_DP,COC(=O)C(NC(C1=CCCC1(C)C)=O)C2CC(C2)C(=O)O,KTUSDIOOJZEUQG-UHFFFAOYSA-N
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| 18673 |
+
45C5A9407F5FC30C_5B60F265D0523C5F_6029_UN,OC(=O)C1=C[N](N=C1C2CC2)[S](C3=C(C=CC(=C3)Cl)C#N)(=O)=O,DCVYPTBABVSNJR-UHFFFAOYSA-N
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| 18674 |
+
48B0C02A3A46D744_41B4434A161CF192_6034_UN,O=C1CC(CC(=O)N1CC2=CSC(=N2)S)C3=CC=CS3,LTIXSCHPNJBZPV-UHFFFAOYSA-N
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| 18675 |
+
51A5E13F44725A13_2DDAC58CACE98EA8_6038_UN,CC1=C(C=C(C(=C1)OC(=O)C2=C[N](N=C2)C3CC3)[N](=O)=O)[S](=O)(=O)Cl,UFLUYCWNBHMXID-UHFFFAOYSA-N
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| 18676 |
+
53A63A22A8B63B0E_A7E990B6181C5785_6041_UN,O=[N](=O)C2=C(C=C1OCOC1=C2)NC3=CC(=C(C=C3)C4CC4)C#N,APFZAAJOPIVYLC-UHFFFAOYSA-N
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| 18677 |
+
5734D86CB3306659_370B513148DBD871_6039_UN,OC(=O)C1=CC(=CC(=C1)OCC2=CN=C(N=C2)C3CC3)[N](=O)=O,UZCFFJDPKSREPI-UHFFFAOYSA-N
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| 18678 |
+
57835759D7B3CF4F_F583DF09E11C3F30_6004_UN,O=[N](=O)C1=C(C(=CC(=C1)C2=C(C=CC3=C2OCO3)F)Cl)C#N,KEOFHINOTOTOSC-UHFFFAOYSA-N
|
| 18679 |
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58D048F306FAE61E_334EDA612ED91171_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(C=C(OC)C=C4)F,LBUTXXGFMIKVPI-CZUORRHYSA-N
|
| 18680 |
+
591ABFEF342004D4_7C2F891CBE58F24F_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=NOCCC3,KJOAGFVTMAGVFW-UHFFFAOYSA-N
|
| 18681 |
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61A71F1E101AA469_49F92DC123C741D6_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=CC=CC(=N4)N(C)C,ZWUYFVDQSCLMJX-CZUORRHYSA-N
|
| 18682 |
+
6469FC7111478000_6BC171B8B1D09A01_6034_UN,O=C2[C@H]1CCNC[C@H]1C(N2CC4CC3=C(C=CC(=C3)Br)O4)=O,ZFJPXGQWXVHVBB-LWNNLKQOSA-N
|
| 18683 |
+
667DCB456F96F995_2393CACA55F9FFF1_6029_UN,OC(=O)C1=N[N](C(=C1)C2CCC2)[S](C3=CC(=CC(=C3)C4(CC4)C#N)F)(=O)=O,FIAJVIJRPVCAAZ-UHFFFAOYSA-N
|
| 18684 |
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6802C360A7324AC4_EFE6BFB8CEF4A21F_6038_UN,O(C1CCC(C1)C#N)C(=O)CC34CC2CC(CC(F)(C2)C3)C4,HFSKERUALHMKFR-UHFFFAOYSA-N
|
| 18685 |
+
689304FB7EA7EF89_2E7C2853A6CC3E0B_6041_UN,C2(=NN=C(C1CC1)[N]2C3CC3)N[C@@H](CCON)C(=O)O,GZZNUUPNNHKXAU-VIFPVBQESA-N
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| 18686 |
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6955B6516AA85E25_54DB4E98B4CACEC1_6039_UN,CC1=C(C=C(C(=C1)OCC2=CC=N[N]2C3CCC3)[N](=O)=O)[S](=O)(=O)Cl,ZLAFCXOBUGXSFZ-UHFFFAOYSA-N
|
| 18687 |
+
695AEA846DE2026E_50512C24D4DD08CE_6004_UN,O=[N](=O)C1=C(C=CC(=C1)C2=C(C=CC3=C2OCO3)F)C#N,OMRBOVLZTNOPSV-UHFFFAOYSA-N
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| 18688 |
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6AFBF57047296DEA_15338E21BA7708B0_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)C[C@H]3CNCC3,SRLHWVGUUDSDFH-SECBINFHSA-N
|
| 18689 |
+
6C7B685DC91557CB_5FD8B78D2FB0F4D4_6034_UN,O=C2[C@H]1CCNC[C@H]1C(N2CC3=CC4=C(C(=C3)Cl)OCCCO4)=O,HAYVPQSYBLUUGW-NWDGAFQWSA-N
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| 18690 |
+
6F16094736480AAE_EA66B167E94B8AC3_6034_UN,O=[N](=O)C1=CN(C(=O)C2=C1C=CN=C2)CC34CC(N)(C3)C5(O4)COC5,OPMJUKLZNXNVKY-UHFFFAOYSA-N
|
| 18691 |
+
6FAD0BACAE73B897_F990BAF5E60C0097_6029_UN,OCC12CC(F)(C1)CN(C2)[S](C3=NC(=CC=C3)C#N)(=O)=O,FCMBNUCUMUONFN-UHFFFAOYSA-N
|
| 18692 |
+
731D40326EA4DB73_79A9157AC05DD358_6005_UN,O=[N](=O)C1=CC(=CC(=C1)C3=C2OCCC2=CC=C3)CCl,QGTFCJMIXRUGQD-UHFFFAOYSA-N
|
| 18693 |
+
74E6BEACC648A353_C85013AE0497D9EE_6035_UN,O(C23CC1CC(CC(C1)C2)C3)C4=CC=CC(=C4[S](=O)(=O)Cl)OC,CYPFASJVMWATIH-UHFFFAOYSA-N
|
| 18694 |
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7E16DC11E1F8DC16_E90703CBE3B0528A_6034_UN,CN(C)C1=NC(N(C(=N1)C)C2=C(SC(=C(OC)O)C2=O)C#N)=N,OKUMMHJKMHXDSM-UHFFFAOYSA-N
|
| 18695 |
+
854767EE0A86FD64_C9DE5D60B891DFCE_6005_UN,O=[N](=O)C1=C(C(=CC=C1)C3=C2OCCC2=CC=C3)CBr,TUXNOEPCSPFDRJ-UHFFFAOYSA-N
|
| 18696 |
+
855C6CFD83068190_F0E297E7B9BDFDA0_6031_UN,CC1CCC(CC1)N2CC(CC2=O)C(=O)OCC3=C(N=C(SC)N=C3)Cl,NYNYSNHFXUIWFH-UHFFFAOYSA-N
|
| 18697 |
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85E8A856571DE0E6_A5F616ECBA198B52_6034_UN,SC2=NC=C(C1CC1)C(=O)N2CC3=CN=C(S3)C4=CC=CC=C4,VRLOHDSIDDDERX-UHFFFAOYSA-N
|
| 18698 |
+
899370BE6A910122_E31E255B895A588A_6039_UN,O([C@H]1C[C@@H](C1)OCC(F)(F)F)CC2=NC(=N)NC(=N2)N(C)C,RKXCURIPICJEQN-ZKCHVHJHSA-N
|
| 18699 |
+
89AE8F4CB3B3AC67_EB607282507227FB_6034_DP,CN1C=C(C(=S)N)C(=O)N(C1=O)CC34OC2(CCNCC2)C(C3)(N)C4,GXADHAIDVCRBTO-UHFFFAOYSA-N
|
| 18700 |
+
89B22B3C73E8E93F_C48A2D6CD1875C31_6029_UN,O=[N](=O)C1=C[N](N=C1C2CCC2)[S](C3=CC=NC(=C3C#N)F)(=O)=O,ORXYMOAAWUGXSN-UHFFFAOYSA-N
|
| 18701 |
+
89FA0E482B875247_5183601DDD5434E9_6031_DP,N1CCC(CC1)C(=O)C(=O)OC[C@H]2[C@@H](CNC2)C3CC3,TYBNERYJFCLUAM-STQMWFEESA-N
|
| 18702 |
+
8A41A0D5C715963B_DFE49D6F49167A7F_6035_UN,COC2CC(OC1=C(C(=CC(=N1)C)C)Cl)CC(C2)OC,FXQRCOLZXVFHKW-UHFFFAOYSA-N
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| 18703 |
+
8F00AB6A60DDFE47_4D72E61A0A1359E1_7019_UN,CC23CCC(C=CC1=C(C(=CC(=C1)Cl)Cl)C#N)(CC2)CO3,CJNGKFTZEJEVAZ-UHFFFAOYSA-N
|
| 18704 |
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90C7B8CC2AC4643C_B1197999432B0BD6_6034_UN,O=C3CC2(CC1=C(C=CC=C1)C2)C(=O)N3CC5CC4=C(C=CC(=C4)Br)O5,MGNJEHIJURPRHI-UHFFFAOYSA-N
|
| 18705 |
+
927D4DE69F6F3E1B_993B9B03EE2FD139_6035_DP,N1C[C@@H](CC[C@@H](C1)N)OC2=N[NH]C(=N2)C3=NC=C(C=C3)Br,CEIHFTRHZQYECJ-VHSXEESVSA-N
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| 18706 |
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98CE70C4B532B979_B8C08041ED3B45EF_6035_UN,O([C@@H]1CCCC[C@H]1N2CCNCC2)C3=NC(=CC(=C3Br)C)N,NINLYGMNQSRJJS-CHWSQXEVSA-N
|
| 18707 |
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9E94AD5F6D9D9A9E_0018B97B09A11256_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(C=CC(=C4)OC)OC(F)F,HHSYQGLXIAYZSG-CZUORRHYSA-N
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| 18708 |
+
9EDAE13EAA8296C4_F2C405A04FEE6E0E_6038_UN,CC4=C(OC(C1CC1C3=CC=C(C2CC2C)O3)=O)C(=O)CO4,SZVHAWOAOGQTEV-UHFFFAOYSA-N
|
| 18709 |
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A35E8906C5B2F60B_0DBDCCF5B5B303B3_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=CC(=C(C(=C4)I)I)I,IHODUXMZLSYFLA-IUODEOHRSA-N
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| 18710 |
+
A5C9A90520BB511F_F53016832DFB6599_7019_UN,CC23CC(C=CC1=C(C(=CC(=C1)Cl)Cl)C#N)(C2)CCO3,NZUREASJQURSKL-UHFFFAOYSA-N
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| 18711 |
+
A6370025DBC41D11_8064A810A53B0E04_6035_UN,CC23CCC(COC1=CC(=CC(=C1)Cl)C#N)(CC2)OC3,KNBJTQMHYXOJFN-UHFFFAOYSA-N
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| 18712 |
+
A6C1A4FBBE2A8261_4D7CA7376445383A_6034_UN,SC2=NC=C(C1CC1)C(=O)N2CC3=CC(=CN=C3)C4=CSC=C4,CLINUNRXWIDQLS-UHFFFAOYSA-N
|
| 18713 |
+
AB39860492739A31_87A77954C3E0916A_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=CC=CC(=C4)C5=NN=C(OC)C=C5,SITLLGWFKVMPSV-YLJYHZDGSA-N
|
| 18714 |
+
B0DB961B4192E13E_F4C2738BB4A6BA1B_6004_UN,O=[N](=O)C2=C1OCCC(C1=CC(=C2)C3=C(C4=C(C=C3)OCO4)F)=O,DECDMKGDOKRDII-UHFFFAOYSA-N
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| 18715 |
+
B2FD44D734ACB3A3_D6318FADE9B291A4_6035_UN,O(C1CCC2COCC1C2=O)C3=NC=NC4=CC=CC(=C34)OC,CUDJPJYBZOYLPJ-UHFFFAOYSA-N
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| 18716 |
+
B3056D3B5C1F51DB_A7B3DF28FFFCCE5D_6029_UN,O=[N](=O)C1=C[N](N=C1C2CCC2)[S](C3=C(C)C=C(C=C3)N=C=O)(=O)=O,LAYBIWDJFYVIJB-UHFFFAOYSA-N
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| 18717 |
+
B8FD58926046A1DB_7EC7D8285EFB1702_6009_UN,C2(=CC1=C(C=CC=C1)C2)C(C(C(O)=O)C(F)(F)F)C3=CC=CC=C3,VRPKAMMBESCASR-UHFFFAOYSA-N
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| 18718 |
+
C33FF613BBDAA453_79D9CF4FE3855E4F_6003_UN,CC23CCC(COC1=CC=C(C(=C1)Cl)C#N)(CC2)OC3,DHNBWFGFMZLUAC-UHFFFAOYSA-N
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| 18719 |
+
C642A3784C96DDF8_0B82F644AA58D51C_6031_UN,NC1=C(NC(=O)NC1=O)C(=O)OCC23CC(N)(C2)C4(O3)COC4,RXXMGWOCCVJFNK-UHFFFAOYSA-N
|
| 18720 |
+
C7DF12C6010E481D_7073D77FF11C2E93_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(OC)C=CC=C4OC,RHLYSNNMYIOOQV-RHSMWYFYSA-N
|
| 18721 |
+
C97A0D84A5F6C018_601FAAE20822725F_6004_UN,O=[N](=O)C1=C(C=C(C(=C1)C3=C2OCCOC2=CC=C3)Cl)F,JJQXMKLRWZIDBA-UHFFFAOYSA-N
|
| 18722 |
+
CB24614512A5F98C_C6D13678B37D22C4_6031_UN,CON=C(C(=O)OCC1C(=C1C)[Si](C)(C)C)C2=CSC(=N2)N,OYRXAXNMRWYCSL-UHFFFAOYSA-N
|
| 18723 |
+
D8BDBBAABFF9AE73_3A78994B25416751_6031_UN,CN1CC(CC1=O)C(=O)OCC2CCC(CC2)OCC#C,RJAPBULYQQMCGN-UHFFFAOYSA-N
|
| 18724 |
+
ED46C96B8F01C9BA_C7F0C7211774525D_6038_UN,CC4=C(OC(C1CC1C3=CC=C(C2CC2C)O3)=O)C(=O)CC4,WOAZIBLLYRLLLK-UHFFFAOYSA-N
|
| 18725 |
+
F3C426B57E16D11F_20F3F76EAB764FA8_6035_UN,O([C@@H]1CCCC[C@H]1O[C@@H]2CCCC[C@H]2F)C3=NC(=NC(=N3)C4CC4)N,YIRVXRDWYLDJAI-KBUPBQIOSA-N
|
| 18726 |
+
F487724AA0424CD7_49802712E5BA8C0B_7022_UN,CC1=C(C=C(C(=C1)O[C@@H]2CCCC[C@H]2O[C@@H]3CCCC[C@H]3F)Cl)C4CC4,NUAYMAPHVILSKU-XRXFAXGQSA-N
|
| 18727 |
+
rxn:2:104290:120312,,
|
| 18728 |
+
rxn:2:105972:107483,,
|
| 18729 |
+
rxn:2:117008:128819,,
|
| 18730 |
+
rxn:2:120312:104290,,
|
| 18731 |
+
rxn:2:128819:113016,,
|
| 18732 |
+
rxn:2:128819:117008,,
|