Added 112 molecules from epoch 16601 for Q8BRU6
Browse files- Q8BRU6_molecules.csv +112 -0
Q8BRU6_molecules.csv
CHANGED
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@@ -19563,3 +19563,115 @@ rxn:2:105994:118307,,
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| 19563 |
rxn:2:131937:167850,,
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| 19564 |
rxn:2:131963:149595,,
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| 19565 |
rxn:2:98440:111042,,
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| 19563 |
rxn:2:131937:167850,,
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| 19564 |
rxn:2:131963:149595,,
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| 19565 |
rxn:2:98440:111042,,
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| 19566 |
+
035E341654B13C26_EBFD6F2C591EC676_6041_UN,SC2=NC1=C(C=CC=C1)C(=O)N2C3=CC(=CC=C3)N[C@@H]4CC[C@@H](CC4)[N](=O)=O,QSQFOBRGENQDBL-OTVXOJSOSA-N
|
| 19567 |
+
09B529BB58321FDB_95BA5F0DC5ADAE0F_6041_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[C@@H]4CCO[C@H]4C5=CC=CC=C5,OKXGQQHZOUUROQ-QPPBQGQZSA-N
|
| 19568 |
+
0AA3D7CA8E781D34_07D0FC8965C8B2E0_6039_UN,CC1=C(C(=CC(=C1)C=C2SC(=S)NC2=O)C)OCC3CCC(=O)O3,FFCFUKIFCGXNDA-UHFFFAOYSA-N
|
| 19569 |
+
162B550ABE7931A4_4AF2F31621994C95_6034_UN,COCC1=C(C(N(C(=N1)C2CC2)CC34OC(C)C(C3)(N)C4)=O)I,ZRNYLKDOOZRGBH-UHFFFAOYSA-N
|
| 19570 |
+
1B1D7D1A720DD72B_A60C75F9FF9E5E44_6028_UN,O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CC3)[S](C4=NN=C(O4)C6COC5=C(C=CC=C5)O6)(=O)=O,AOWUKGSXBRJCBP-UHFFFAOYSA-N
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| 19571 |
+
1ED0DACCF160523F_B541E8528D0553FC_6028_UN,O=[N](=O)C1=CC2=C(C=C1)N(C=C2Br)[S](C3=NC(=CO3)C4=CC=CC=C4)(=O)=O,JEYXLRDFFSTMAM-UHFFFAOYSA-N
|
| 19572 |
+
1F5DCA93A0838E9B_6DFE7D484083B27A_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C6SC4=C(C=CC=C4)[N]56)(=O)=O)Cl,HSFYUKKEXOBOIO-UHFFFAOYSA-N
|
| 19573 |
+
20CEAF65D8718F8C_645084339E274FEE_6041_DP,CC(C)CC1=NSC(=N1)NC2=C([N](N=C2C)C)C3CNC3,RXNJJKYZVWPELE-UHFFFAOYSA-N
|
| 19574 |
+
28402EA77916E657_5FFC3640C313E124_6041_UN,SC3=NC1=C(C=CC(=C1)NC[C@@H]2OC(OC2)=O)C(=O)N3CC=C,ZFXJGAROJVLWED-JTQLQIEISA-N
|
| 19575 |
+
2B70CEDFD630DF45_1321BFDD098C7BB5_6041_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[C@H]4[C@@H](OCC4)C5=CC=NC=C5,NDLMQJUOIDWGOZ-OFNKIYASSA-N
|
| 19576 |
+
2D512D1F4E3CFD85_3C1321E8D5391FFA_6034_UN,C[N]2N=C1C(=O)N(C=NC1=C2Br)C[C@@H]3C[C@@H](CC[C@H]3C(C)C)C,NKQNFXIEAXXHCQ-AGIUHOORSA-N
|
| 19577 |
+
31F9C07CF7079F3B_28BF8974BE36CADF_6035_UN,O(C2CCC(CC1=CC(=CC=C1)Cl)CC2)C3=CC=CC(=C3C=NO)Br,VXQTWZGBPLFMLK-UHFFFAOYSA-N
|
| 19578 |
+
34CD7D1AD265AD5D_17517DE4E73EFF34_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NC(=NO4)C5=CC=C(CC)C=C5)(=O)=O)Cl,WZXDFKWKCCYAHD-UHFFFAOYSA-N
|
| 19579 |
+
35F503E2DF1DD827_CCA5AE87EBD643DE_6029_UN,N(C1=C(C2=C(C=C1)C=CC=C2)O)[S](C4=CC3=C(C=C(O)C=C3)C=C4)(=O)=O,XRXKGJUSKZEXLJ-UHFFFAOYSA-N
|
| 19580 |
+
3697F04432767BE7_B2EEAAE469400926_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C(C4=C(C=C(C)C=C4)C)O5)(=O)=O)Cl,QZPJWBRYUTWINI-UHFFFAOYSA-N
|
| 19581 |
+
36BCADD80C4759D0_028119A16709DC2B_6004_UN,OC1=C(C=C(C=C1C2=CC=C(C=C2)C3CCC3)Cl)[N](=O)=O,HMWGGFWQKSYLJX-UHFFFAOYSA-N
|
| 19582 |
+
3A7261939F2649A3_7C67662D1155BC81_6038_UN,CC(SC(=O)C2=CC1=C(C=CC=C1)OC2)C3=CC=C(C=C3)F,OKFMIVIUPVOHOV-UHFFFAOYSA-N
|
| 19583 |
+
40A038F34587197F_1F0ABBF1250469E7_6035_UN,O(CC1OC1C2=CC=CC=C2)C4=C(C=C3C5=C(C(OC3=C4)=O)CCCC5)Cl,WWDGIUBCPSJUQX-UHFFFAOYSA-N
|
| 19584 |
+
41AB26C01AD54EA7_DBF30F3601340607_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=C4C=CC=CC4=NC(=N5)C6=CC=CS6)(=O)=O)Cl,KQBGUQAOPXQAGH-UHFFFAOYSA-N
|
| 19585 |
+
42449CA4933D1D36_207FDB2E50D0B166_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC[N]5N=C(C4=CC=CC(=C4)OC)C=C5N,FRNODVQSVFNZQE-YLJYHZDGSA-N
|
| 19586 |
+
4534912A524BBDEA_441EC2D676336301_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=CC(=CC=C4)C5CO5)(=O)=O,FOAPAUTZSFXFPU-UHFFFAOYSA-N
|
| 19587 |
+
480FBD81AF50C572_7EC6FEA767D705F6_6041_UN,O=[N](=O)C1=CC(=CC(=C1)NC2(CCC2)C3=NOC=N3)C(=O)CC#N,DLIXBCPMLXRLRK-UHFFFAOYSA-N
|
| 19588 |
+
49F44F183BCF654B_F42B19C86AEBF075_6038_UN,CC1(C)OB(OC1(C)C)C(=C)COC(C2=C(SN=C2OC)OC)=O,LKMBDZSKELVEPO-UHFFFAOYSA-N
|
| 19589 |
+
4B0EAB7478C10C30_70745EC3B423C580_6029_UN,OC1=C(C=CC(=C1)C2CN(CCC2)[S](C3=CC4=C(C=C3)C=CC=C4)(=O)=O)F,KRCSOBOCBRJQES-UHFFFAOYSA-N
|
| 19590 |
+
4B7E2B6F09DD998C_47AD21784FAD00B3_6003_UN,O(C2=C1OC(NCC1=CC=C2)=O)C3=CC=CC4=C3C(NC4)=O,REKLAYIWCDPWOG-UHFFFAOYSA-N
|
| 19591 |
+
4E52FCF63D8A1F0E_31F4969FE3050A16_6035_UN,NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=C([N](N=C4C)C5=NC(=CC(=N5)C)C)C)=O,ZRVCETJKFHCUBO-NKGKWGDASA-N
|
| 19592 |
+
516C2C573E238634_F905B02D0AA54146_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NN=C5C=C(C)C6=C([N]45)C=CC=C6)(=O)=O)Cl,VNAISBKSABEILR-UHFFFAOYSA-N
|
| 19593 |
+
5392322145AAF0C6_6EAD9B041FE001EA_6038_UN,CC=C[C@@H]1CCC[C@H]1OC(C2=C(ON=C2OC)C3CC3)=O,KLMLQMKIMKPQRI-ZYHUDNBSSA-N
|
| 19594 |
+
584056E556FC19FF_6D0959598453EE73_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C(C4=CC=C(C(C)(C)C)C=C4)[N]5C6=C(C=CC=C6)Cl)(=O)=O)Cl,HUVSMLSRTSAOFR-UHFFFAOYSA-N
|
| 19595 |
+
5909CED9F5BF871C_97141160CEEEE3B7_6041_UN,C[N]1C(=CC2=C1C(N(CC2)COCC[Si](C)(C)C)=O)N[C@H]4[C@@H]3N(C(=C(COC(C)=O)CS3)C(=O)O)C4=O,PXSMBOWJTSXUCN-WZONZLPQSA-N
|
| 19596 |
+
599CF006DC435D10_3923B358389CCA48_6029_UN,CC1(C)OB(OC1(C)C)C2=C(C=N[N]2[S](C3=CSC(=N3)[Si](C)(C)C)(=O)=O)Cl,QRRIJOJJRJVECD-UHFFFAOYSA-N
|
| 19597 |
+
5CB9669C78B2A9B4_016898118CC7087B_6041_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)NC5CCC4=C(C=CC=C4)OC5,YFLYMHKWEHINBP-UHFFFAOYSA-N
|
| 19598 |
+
5D9765274BFB8107_8B7E3B488695DB38_6029_UN,N(CC1=CC2=C(C=C1)C=CC(=C2)Cl)[S](C4=CC3=C(O)C=CC=C3C=C4)(=O)=O,NEFMVCWVHPWDDM-UHFFFAOYSA-N
|
| 19599 |
+
611A561D5130D327_CC0144B440E27281_6003_UN,CC4CC1=C(C(=CC=C1)OC2=CC=CC3=C2C(NC3)=O)C(=O)O4,VEARLKNCFLVUGG-UHFFFAOYSA-N
|
| 19600 |
+
61D95074462C68F8_9FEEE0C87AE88CDE_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C4=C(O)C=CC5=C4C=CC=C5)(=O)=O,JZLONJRAECOLCZ-UHFFFAOYSA-N
|
| 19601 |
+
61F012A8C6069665_B67AF71462943BEB_6029_UN,OC1=C(C(=CC=C1)C2CN(CCC2)[S](C4=C3C=CC=CC3=CC=C4)(=O)=O)F,DXTFKQGCUAFOJZ-UHFFFAOYSA-N
|
| 19602 |
+
6442D34EC8A128F9_564C6315623F9B37_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3=CCSC3(C)C,KSRAMLBPROGVQD-UHFFFAOYSA-N
|
| 19603 |
+
6946A1DB6E0CD9AF_DBA6724FBAD97D1A_6041_DP,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[C@H](C)C4CNC4,CUKDIDPFHFDAFX-LLVKDONJSA-N
|
| 19604 |
+
6C2C1392BE22751B_497894DEC73C70A2_6041_UN,SC3=NC1=C(C=CC(=C1)NCC2OC(OC2)=O)C(=O)N3CC=C,ZFXJGAROJVLWED-UHFFFAOYSA-N
|
| 19605 |
+
6CE2C5B610E84F9A_584DDF2CB21DA2A6_6029_UN,OC1=C(C(=CC=C1)C2CN(CCC2)[S](C5=C3C=CC=CC3=C4C=CC=CC4=C5)(=O)=O)F,BYEBAZYWOZVDOP-UHFFFAOYSA-N
|
| 19606 |
+
6D3E7E38D2B4616F_AE62AB6A9EDE0730_6035_UN,O(C1CC2=C1C=CC=C2)C3=CC5=C(C=C3)NC4=C(C=CC=C4)C5=O,VIZHAWSRSRWQMS-UHFFFAOYSA-N
|
| 19607 |
+
7A73DB365A367166_1159B9976EF9A106_6035_UN,CC2COC1=C(C=CC=C1)C2OC4=C(C=C3C5=C(C(OC3=C4)=O)CCCC5)Cl,RAAQTMGFIALZIZ-UHFFFAOYSA-N
|
| 19608 |
+
7C2742DE404E8574_A842DA488310CB9A_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCC4=C(OC)C=C(C=C4)Br,ZHNZSOZPACIBSC-CZUORRHYSA-N
|
| 19609 |
+
7CCDDD4502103E7B_9FF529D0F52D3B47_6029_UN,N(CC1=CC=C(C=C1)C2=CC=CC=C2)[S](C4=C(O)C=C3C=CC=CC3=C4)(=O)=O,WNCHGNDWAUCDMV-UHFFFAOYSA-N
|
| 19610 |
+
7CFA855D666D334D_1B5E28FF357149EA_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NC4=CC=C(C=C4)N5C(NNC5=O)=O,PKJYKOBKTXWVOG-YDBLSZJJSA-N
|
| 19611 |
+
7DEBEF1A483B3322_D94798E2D4F243BC_6035_UN,CC(C)O[C@@H]1COC[C@H]1OC3=C(C=C2C4=C(C(OC2=C3)=O)CCCC4)Cl,YVPKCLOQRHWZEP-RTBURBONSA-N
|
| 19612 |
+
7E4D693B7DB03638_DDD0E37DC3CE674F_6041_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)NC4CC(OCC4)C5=CC=CC=C5,KAPOROLTLVZWQR-UHFFFAOYSA-N
|
| 19613 |
+
7ECF3406C4A67B5A_9C3BCF9315B70851_6029_UN,N(C1=C(C2=C(C=C1)C=CC=C2)O)[S](C3=C(O)C=CC4=C3C=CC=N4)(=O)=O,NXWYFVBCSNWPDN-UHFFFAOYSA-N
|
| 19614 |
+
800FC604FBF3E360_0058D7555FBA6CA9_6039_DP,O(C2=C1C(C3=C(CC1=CC=C2)C=CC=C3)=O)CC4OC(CC45CNC5)=O,BWFVUCNLAMINSM-UHFFFAOYSA-N
|
| 19615 |
+
831BF1B1308ECFB5_1ADC3D21970EFDDB_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=CC=C(CBr)C=C3)(=O)=O,PSVZDWWQOQCGKB-UHFFFAOYSA-N
|
| 19616 |
+
84820FF49F5EA461_FEA75652094EF5FE_6034_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)CC45CC(C4)NC5)Cl,NZIBJULGFLVHKF-UHFFFAOYSA-N
|
| 19617 |
+
89CA785B3043B4E8_3F04D8768D5B3CCC_6035_UN,NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=C(OC)C(=NC(=N4)C5CC5)C)=O,BYFQWUKAZRESPI-MJRMRKOOSA-N
|
| 19618 |
+
8A6A448E98A0A784_4B029701214E71FA_6041_UN,COC1=CC(=O)C[C@@H](C)[C@]13OC2=C(C(=CC(=C2C3=O)OC)OC)NCC4OC(N(C4)C5=CC=CS5)=O,PCWQRNSAKSSVED-LGUFZWDMSA-N
|
| 19619 |
+
8B5DE334BB10B85C_2FA3886AD2F9F7B2_6029_UN,N(C1=CC3=C(C=C1)OC2=C(C=CC=C2)C3=O)[S](C5=CC4=C(C=C(O)C=C4)C=C5)(=O)=O,LBFRPXAZTQPGBQ-UHFFFAOYSA-N
|
| 19620 |
+
8B815855A67C7072_8E55D0FB2814E8B2_7022_DP,OC(=O)C1=CC(=CC=C1)OC2=C(C3=C(C=C2Br)CCC3)[N](=O)=O,JILBGQJPRWSCFV-UHFFFAOYSA-N
|
| 19621 |
+
8EFAC3FC98E318F7_C10F19C3684B4A74_6035_UN,CCOC3CCC(OC2=C(C=C1C(CCC1=C2)=O)Cl)CC3,IEZMFRAFLZEOIC-UHFFFAOYSA-N
|
| 19622 |
+
90E0C14320A236E2_2385A18BC3DE7DE4_6041_UN,OC(=O)C1=CC(=CC(=C1)N[CH]2C[C](C2)=[C]3CC3)[S](=O)(=O)F,XMWOCSZCJYFNGC-UHFFFAOYSA-N
|
| 19623 |
+
93396D2B800A31C6_77EA30C7EFA1112B_6031_UN,CCC[C@H]1[C@@H](CNC1)C(=O)OCC2CCCN2CC#C,FCLVZCGVIPRABK-GIJJTGMTSA-N
|
| 19624 |
+
9884D49A852D1C09_ADA952C03D62AC15_6034_DP,N1CC(C1)C2CC(=O)N(C2=O)CC4CC3=C(C=CC=C3)N4,FDPPCKVHWBDODZ-UHFFFAOYSA-N
|
| 19625 |
+
9BFDE5A5AAC40E04_678347E0DD01B9F3_6029_UN,N(C1=CC(=CC=C1)CN3C=NC2=C(C=CC=C2)C3=O)[S](C5=NC4=C(O)C=CC=C4C=C5)(=O)=O,XTTMQOWTWGGKJV-UHFFFAOYSA-N
|
| 19626 |
+
9C283C90302447FC_F50FAC47F54231C5_6041_UN,C1(=CC=C(C=C1)N2CC(=O)OC(=O)C2)NC3C5(CC4=C3C=CC=C4)CC5,HEYQLWDMWSSKCK-UHFFFAOYSA-N
|
| 19627 |
+
A2099D5CC5EBA975_FD0772B50EAB45C2_6034_UN,O=C2N(C1=C(C=CC=C1)C(=O)O2)CC4CNC3=C(C=CC=C3F)C4,UKDYDQOMRUEJAD-UHFFFAOYSA-N
|
| 19628 |
+
A3A5F7A9A5B0E14E_6556F55BD151BCE8_6038_UN,N(C1C[S](CC1)=O)C(=O)C2=CC=C(O2)C4=C3C=CC=CC3=CC=C4,MEVUBMYOMBNMAI-UHFFFAOYSA-N
|
| 19629 |
+
A7AF79A1BD0211FE_E47AD4C4BB1C5BAC_6041_DP,OC(=O)CC3CC1=C(C=C(C=C1)NC2=C(CNC2)C#N)C3,RCAZTUOXZRUQLG-UHFFFAOYSA-N
|
| 19630 |
+
AA2B1B85D42B52D0_5C663AA68CD6B544_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NN=C(O4)C5=CC=C(Cl)S5)(=O)=O)Cl,ZKLUGJLJBZIORZ-UHFFFAOYSA-N
|
| 19631 |
+
AE2442DAB95E321C_88E865E9E3BA44B6_6039_DP,O(C2=C1C(C3=C(CC1=CC=C2)C=CC=C3)=O)CC5CC4(CNC4)C(O5)=O,RUXGTHOFSLHEKB-UHFFFAOYSA-N
|
| 19632 |
+
B25E4CAB5AF0273B_1ADB1E9FFEC596D2_6029_UN,OC1=CC(=CC=C1)C2=CCCN(C2)[S](C3=CC4=C(C=C3)C=CC=C4)(=O)=O,FRMJVZBOOPMJPK-UHFFFAOYSA-N
|
| 19633 |
+
B4C86CFCFFCD490C_531C63CECA8EF82D_6004_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=CC=C(O4)C5CC5,GUVKRSADNAVXJK-UHFFFAOYSA-N
|
| 19634 |
+
B5EDF9694966B8F3_40C297303E29D30D_6038_UN,N(C1CCC(CC1)C2=N[NH]C(=N2)N)C([C@@H]3C[C@H]3C4=CC(=C(C=C4OC)C)OC)=O,CCJIPONKGOKBGQ-VKJZCYHPSA-N
|
| 19635 |
+
BBBD606AA741B0CD_8F8818BB5183486E_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C4=NN=C([NH]4)C5=CC=NC=C5)(=O)=O)Cl,FBHQYTPPKUJICB-UHFFFAOYSA-N
|
| 19636 |
+
C146424D5DB7DC11_035004426327494B_6034_UN,O=C1N(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)CC5CNC4=C(C=CC=C4F)C5,FIDZTNIGDXXPKM-UHFFFAOYSA-N
|
| 19637 |
+
C29FB020AB76DEC4_783323F0E2F00D56_6029_UN,OC1=CC=C(C=C1)C2N(CCC2)[S](C4=CC3=C(C=C(Cl)C=C3)C=C4)(=O)=O,FSTKMYGXTKDMJK-UHFFFAOYSA-N
|
| 19638 |
+
C2A728A720D71172_E62EC89A84E0F85F_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C(C4=CC=C(C(C)(C)C)C=C4)[N]5C6=CC=C(C=C6)Cl)(=O)=O)Cl,UJFDABOHMKPGFX-UHFFFAOYSA-N
|
| 19639 |
+
C2DF758774C7DD12_C87AD47273130A6B_6034_DP,N1CC(C1)N2C=C(C#N)C(=O)N(C2=O)CC3(CC=C)CC=CC3,QJKILTGGIFZRRT-UHFFFAOYSA-N
|
| 19640 |
+
C782199D11A949C0_DF7A547892A046B4_6029_UN,N(CC1=CC2=C(C=C1)C=CC(=C2)Cl)[S](C3=CC=CC4=C(O)C=CC=C34)(=O)=O,VCDDNVIQAVFZMX-UHFFFAOYSA-N
|
| 19641 |
+
C78817C8F5CD440D_C3E6F6BCE93BDC18_6034_UN,CCN1C(N(C(=CC1=O)N2C[C@@H](CC2)N)C(C)=C3C(=NC(=C3C)C)C)=O,XPSDXZPJDCHLFU-OAHLLOKOSA-N
|
| 19642 |
+
C7F926CC5566738C_A02EF8B87C50F316_6028_UN,CC1(C)OB(OC1(C)C)C3=C(C=C2N(C(=CC2=C3)O)[S](C5=NN=C(C(CC)C4=CC=CC=C4)O5)(=O)=O)Cl,SABROACFBWPPTQ-UHFFFAOYSA-N
|
| 19643 |
+
CD04B6C635AFD4D3_A721F4188F8F02A9_6041_UN,C1(=CC3=C(C=C1)N=C2CCCN2C3=O)N[C@@H]4C[C@H](C4)C5=CC=C(C=C5)C#N,MHPAVBLAYNJNRV-SAABIXHNSA-N
|
| 19644 |
+
CF0A5B007F874772_835C106699D78DED_6029_UN,N(C1=CC3=C(C=C1)N=CN(C2=CC(=CC=C2)O)C3=O)[S](C4=CC5=C(C=C4)C=CC=C5)(=O)=O,XGBAQCPPDDMROP-UHFFFAOYSA-N
|
| 19645 |
+
CF5BE90B6FDDDE66_0418E14F4260FAF5_6041_UN,O=[N](=O)C1=C(C=CC(=C1)NCC2=NOC(=C2)C3=CC=CC=C3)S,IBGMQWRDILXWCZ-UHFFFAOYSA-N
|
| 19646 |
+
D23308B2CA7852C8_BBFDA081D0404BBB_6031_UN,C[N]1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)OCCNC(=O)N4CCCC4,HODSYEMOCQDRSC-BXUZGUMPSA-N
|
| 19647 |
+
D3AD56F94AE98B6B_0654D7DACDFDC5D2_6006_UN,OC(=O)C[S](=O)(=O)C1=CC(=CC=C1)C2=CC3=C(C=C2)CCO3,IJGCESBHDWPCNG-UHFFFAOYSA-N
|
| 19648 |
+
D3EC141E2731AE15_206F931C9FD3A871_6038_UN,N(C(CC1=CC=CC=C1)C2=CC=CO2)C(=O)C3(F)CC3,BIAIHQZMMCOBNW-UHFFFAOYSA-N
|
| 19649 |
+
D597ED413E09D549_E002392668CD51AD_6031_UN,O(C(=O)C1=CC2=C(C=C1)OC(=N2)S)CC3OC3C4=CC=CC=C4,RYFRTEIXYQEFHG-UHFFFAOYSA-N
|
| 19650 |
+
D601BB8331FB1474_F08AD8E0E6BA0BFE_6003_UN,O(C1=CC2=C(C=C1)OCO2)C3=CC=CC4=C3C(NC4)=O,ONCRXYIAJLSKBP-UHFFFAOYSA-N
|
| 19651 |
+
D7BBDCA8CB2452C6_0FD4639B19C10875_6035_UN,NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC5=NC4=NC(=C(C=C4[NH]5)Br)C)=O,XKEUSWJPJPZPMS-SGESHTKJSA-N
|
| 19652 |
+
E1BD79785831B3D0_7825D4AFB9040E9F_6039_UN,O(C1=CC2=C(C=C1)NC(=O)C2=O)CC3=CC(=CC4=C3OCOC4)[N](=O)=O,KKLIKHIGGPDUHM-UHFFFAOYSA-N
|
| 19653 |
+
E27213192FA1407C_568491CDD8E80C49_6041_UN,SC3=NC1=C(C=C(C=C1)NCC2OC(OC2)=O)C(=O)N3C4=CC=CC=C4,IQRVOUMEMSRHDR-UHFFFAOYSA-N
|
| 19654 |
+
E59922F390D7A692_D16F1EE9CE6BF87B_6041_UN,SC3=NC1=C(C=CC(=C1)NCC2CC(C2)=O)C(=O)N3CC=C,BPJQEMKNPAKQGB-UHFFFAOYSA-N
|
| 19655 |
+
E6C117CA4EB720A4_828BB400D5E84EC4_6041_UN,C1(=CC(=CC=C1)[S](=O)CCCC#N)NC2CCC3(CC2)N=N3,JAYGYNOVNADWGM-UHFFFAOYSA-N
|
| 19656 |
+
E70BB850503880DF_8FEAA33E3B3FB698_6035_UN,CC(C)(C)[Si](C)(C)OCC3CCC(OC2=C(C=C1OC(SC1=C2)=O)Cl)CC3,JIKGRFJKAOWFMX-UHFFFAOYSA-N
|
| 19657 |
+
E8BC5177E2C83311_8FD6820B895C6354_6029_UN,O=[N](=O)C1=CC=C(C=C1)C2CN(C2)[S](C4=NC3=C(C=C(Cl)C=N3)C=C4)(=O)=O,HCLOXSPVJMCVQZ-UHFFFAOYSA-N
|
| 19658 |
+
E8F890A6C335962D_EB73D376FBB700F2_6041_UN,O=[N](=O)C1=C(C(=CC(=C1)NC2CCC(CC2)N3C(OCC3)=O)F)C#N,FFRBKYUPDMJXMN-UHFFFAOYSA-N
|
| 19659 |
+
EA2E73D7237AB08D_0A3BD1DC22E71357_6038_UN,N(C1=CC2=C(C=C1)NNC2=O)C(=O)C=CC3=CCCC3,WQBPUMHKHWZHKR-UHFFFAOYSA-N
|
| 19660 |
+
F2A06BA4C6B19787_105E019B6C31083F_6041_UN,CC5CCC1=C(C=C(C=C1)NC2=CC4=C(C=C2)OC3=C(C=CC=C3)C4=O)C(=O)C5,VIGALQWVPGKIKR-UHFFFAOYSA-N
|
| 19661 |
+
F540CD59B8D6C009_5F8C2ED63FB4238E_6038_DP,N(C1=CC2=C(C=C1)NNC2=O)C(C3CNC4=C3C=CC=C4)=O,AKHHUBMHYTZRAE-UHFFFAOYSA-N
|
| 19662 |
+
FA795F1536FDC391_AE8CA0E58887BD9C_6031_UN,O(C(=O)C1=CC=C(C=C1)NC4=NNC(=C2C=NC3=C2C=CC=C3)O4)CCNC5=NC(=NC(=N5)NC(C)C)Cl,ADPUJKWYWPYTJJ-UHFFFAOYSA-N
|
| 19663 |
+
FBA3900C4D99EEBF_4F3B90659D4AD0ED_6041_DP,CC1(C)OB(OC1(C)C)C2=C(C=CC(=C2)N[C@@H]4[C@@H]3CC[C@@H](N3)C4)F,DFKZNSCPTDNWMN-KCXAZCMYSA-N
|
| 19664 |
+
FBB5F4A1428CB04D_77ABA2B0C3D01FE7_6029_UN,O=[N](=O)C1=C[N](N=C1C2CCC2)[S](C3=C(C=C(F)C=C3F)C#N)(=O)=O,HHNPNTHXWSXGGL-UHFFFAOYSA-N
|
| 19665 |
+
FC06BF08E2CEB4FD_1D7DA4B58B7C280C_6041_DP,SC3=NC1=C(C=CC(=C1)NC2=C(CNC2)C#N)C(=O)N3C4=CC=CC=C4,UDUKNXBNRCHCPX-UHFFFAOYSA-N
|
| 19666 |
+
FCA386A94E0132DB_DBBF150EB45DC2FE_6029_UN,N(CC1=C[N](=CC=C1)=O)[S](C3=C(O)C=C2C=CC=CC2=C3)(=O)=O,LPFJXRADVSTDAZ-UHFFFAOYSA-N
|
| 19667 |
+
FDDEBB158ED21525_EA7781BCD8162A74_6041_UN,C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[C@H]4[C@@H](OCC4)C5=CN=CC=C5,WGDPNWSUZUFHDN-OFNKIYASSA-N
|
| 19668 |
+
rxn:2:100165:118307,,
|
| 19669 |
+
rxn:2:111134:118307,,
|
| 19670 |
+
rxn:2:118307:100165,,
|
| 19671 |
+
rxn:2:118307:120955,,
|
| 19672 |
+
rxn:2:118307:97818,,
|
| 19673 |
+
rxn:2:118307:98329,,
|
| 19674 |
+
rxn:2:77030:133116,,
|
| 19675 |
+
rxn:2:83091:139371,,
|
| 19676 |
+
rxn:2:97818:118307,,
|
| 19677 |
+
rxn:2:98329:118307,,
|