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stringlengths 23
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NC1=C(Cl)C=C(C=C1)S(N)(=O)=O Nc1ccc(cc1Cl)S(N)(=O)=O Molport-000-002-466
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CC(=O)C1=CC(N)=CC=C1Cl CC(=O)c1cc(N)ccc1Cl Molport-000-002-467
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CC(=O)C1=C(Cl)C=CC(=C1)[N+]([O-])=O CC(=O)c1cc(ccc1Cl)[N+]([O-])=O Molport-000-002-468
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CN1C=NC2=C(Cl)N=CN=C12 Cn1cnc2c(Cl)ncnc12 Molport-000-002-471
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CC(C)(C(O)=O)C1=CC=C(Cl)C=C1 CC(C)(C(O)=O)c1ccc(Cl)cc1 Molport-000-002-472
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Cl.NC(=N)C1=CC=C(Cl)C=C1 Cl.NC(=N)c1ccc(Cl)cc1 Molport-000-002-473
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OC(=O)C1=C2N=CNC2=CC(Cl)=C1 OC(=O)c1cc(Cl)cc2[nH]cnc12 Molport-000-002-474
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CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O Molport-000-002-475
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[Cl-].C[N+](C)(C)CC(Cl)=O [Cl-].C[N+](C)(C)CC(Cl)=O Molport-000-002-476
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N\C(=N/O)C1=CC=C(Cl)C=C1 N\C(=N/O)c1ccc(Cl)cc1 Molport-000-002-478
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OC(=O)CSC1=CC=C(Cl)C=C1 OC(=O)CSc1ccc(Cl)cc1 Molport-000-002-482
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Cl.NC(=N)CCCl Cl.NC(=N)CCCl Molport-000-002-483
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O=C1COC2=CC=CC=C12 O=C1COc2ccccc12 Molport-000-002-484
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N[C@H](CC1=CC=C(C=C1)C#N)C(O)=O N[C@H](Cc1ccc(cc1)C#N)C(O)=O Molport-000-002-485
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N[C@@H](CC1=CC=C(C=C1)C#N)C(O)=O N[C@@H](Cc1ccc(cc1)C#N)C(O)=O Molport-000-002-486
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OC(=O)CCC#N OC(=O)CCC#N Molport-000-002-487
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CC(=O)CC1=CC=CC=C1C#N CC(=O)Cc1ccccc1C#N Molport-000-002-488
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NNCCC#N NNCCC#N Molport-000-002-489
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N#CC1=CC=C(C=C1)C1=NC2=CC=CC=C2S1 N#Cc1ccc(cc1)-c1nc2ccccc2s1 Molport-000-002-491
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Cl.NCC1=CC=C(C=C1)C1=C(C=CC=C1)C#N Cl.NCc1ccc(cc1)-c1ccccc1C#N Molport-000-002-492
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CC(=O)CC1=CC=C(C=C1)C#N CC(=O)Cc1ccc(cc1)C#N Molport-000-002-493
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Cl.NC(=N)C1CCCCC1 Cl.NC(=N)C1CCCCC1 Molport-000-002-495
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OC(=O)C1CC(CC(C1)C(O)=O)C(O)=O OC(=O)C1CC(CC(C1)C(O)=O)C(O)=O Molport-000-002-496
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OC(=O)[C@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O OC(=O)[C@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O Molport-000-002-497
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OC(=O)C1CCC=CC1 OC(=O)C1CCC=CC1 Molport-000-002-498
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O=C(C1CCCCC1)C1=CC=CC=C1 O=C(C1CCCCC1)c1ccccc1 Molport-000-002-499
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Cl.NC(=N)C1CCCC1 Cl.NC(=N)C1CCCC1 Molport-000-002-500
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OC(=O)C1CC=CC1 OC(=O)C1CC=CC1 Molport-000-002-501
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Cl.NC(=N)C1CC1 Cl.NC(=N)C1CC1 Molport-000-002-502
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C#CC1CC1 C#CC1CC1 Molport-000-002-503
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OCC1CN(CCO1)C(=O)OCC1=CC=CC=C1 OCC1CN(CCO1)C(=O)OCc1ccccc1 Molport-000-002-505
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O=C(OCC1=CC=CC=C1)N1CCCC(=O)C1 O=C(OCc1ccccc1)N1CCCC(=O)C1 Molport-000-002-506
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Cl.O=C(NC1CCCNC1)OCC1=CC=CC=C1 Cl.O=C(NC1CCCNC1)OCc1ccccc1 Molport-000-002-507
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OC(=O)C1=CSC(NC(=O)OCC2=CC=CC=C2)=N1 OC(=O)c1csc(NC(=O)OCc2ccccc2)n1 Molport-000-002-508
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OC(=O)C1COCCN1C(=O)OCC1=CC=CC=C1 OC(=O)C1COCCN1C(=O)OCc1ccccc1 Molport-000-002-510
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OC(=O)[C@@H]1COCCN1C(=O)OCC1=CC=CC=C1 OC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 Molport-000-002-511
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OC(=O)[C@H]1COCCN1C(=O)OCC1=CC=CC=C1 OC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 Molport-000-002-512
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OC(=O)C1CN(CCN1)C(=O)OCC1=CC=CC=C1 OC(=O)C1CN(CCN1)C(=O)OCc1ccccc1 Molport-000-002-513
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[O-][N+](=O)C1=CC(I)=CN=C1Cl [O-][N+](=O)c1cc(I)cnc1Cl Molport-000-002-514
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COC(=O)C1=CC=C(Cl)N=C1C(=O)OC COC(=O)c1ccc(Cl)nc1C(=O)OC Molport-000-002-515
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CC(C)(C)OC(=O)C1CCCN(C1)C(=O)OCC1=CC=CC=C1 CC(C)(C)OC(=O)C1CCCN(C1)C(=O)OCc1ccccc1 Molport-000-002-516
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O=C(NC1CCNCC1)OCC1=CC=CC=C1 O=C(NC1CCNCC1)OCc1ccccc1 Molport-000-002-517
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ClCC1CN(CC2=CC=CC=C2)CCO1 ClCC1CN(Cc2ccccc2)CCO1 Molport-000-002-518
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O=C(NCCN1CCNCC1)OCC1=CC=CC=C1 O=C(NCCN1CCNCC1)OCc1ccccc1 Molport-000-002-519
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CC(C)(C)OC(=O)C1CCCCN1C(=O)OCC1=CC=CC=C1 CC(C)(C)OC(=O)C1CCCCN1C(=O)OCc1ccccc1 Molport-000-002-521
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[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(Cl)N=N1 [O-][N+](=O)c1ccc(cc1)-c1ccc(Cl)nn1 Molport-000-002-523
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ClC1=CC=C(N=N1)C1=CC=C(C=C1)C#N Clc1ccc(nn1)-c1ccc(cc1)C#N Molport-000-002-525
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OC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)N=N1 OC(=O)c1ccc(cc1)-c1ccc(Cl)nn1 Molport-000-002-526
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ClC1=CC(=CC=C1)C1CNCCN1 Clc1cccc(c1)C1CNCCN1 Molport-000-002-527
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ClC1=CC=C(C=C1)C1CNCCN1 Clc1ccc(cc1)C1CNCCN1 Molport-000-002-528
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N#CC1=CC(=CC=C1)C1CNCCN1 N#Cc1cccc(c1)C1CNCCN1 Molport-000-002-529
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OCC1CCN(CC1)C(=O)OCC1=CC=CC=C1 OCC1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-531
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ClC1=NC=CC=C1C=O Clc1ncccc1C=O Molport-000-002-532
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N\C(CCl)=N\O N\C(CCl)=N\O Molport-000-002-533
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NC(=N)CC(O)=O NC(=N)CC(O)=O Molport-000-002-536
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Cl.NC(=N)CC1=CC=C(Cl)C=C1 Cl.NC(=N)Cc1ccc(Cl)cc1 Molport-000-002-537
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NC(=N)C1=CC=CC=C1Cl NC(=N)c1ccccc1Cl Molport-000-002-540
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N\C(=N\O)C1=CC=CC=C1Cl N\C(=N\O)c1ccccc1Cl Molport-000-002-541
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Cl.NC(=N)C1=CC=CC(Cl)=C1 Cl.NC(=N)c1cccc(Cl)c1 Molport-000-002-542
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Cl.NC(=N)C1=C(Cl)C=CC=C1F Cl.NC(=N)c1c(F)cccc1Cl Molport-000-002-543
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Cl.NC(=N)C1=C(Cl)C=CC(=C1)C(F)(F)F Cl.NC(=N)c1cc(ccc1Cl)C(F)(F)F Molport-000-002-544
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Cl.NC(=N)C1=C(Cl)C=C(F)C=C1 Cl.NC(=N)c1ccc(F)cc1Cl Molport-000-002-545
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Cl.NC(=N)C1=CC=C(C=C1)C(N)=O Cl.NC(=N)c1ccc(cc1)C(N)=O Molport-000-002-548
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NC(=N)C1CCCCCC1 NC(=N)C1CCCCCC1 Molport-000-002-549
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OC(=O)CC1CCC1 OC(=O)CC1CCC1 Molport-000-002-551
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NC1=CC(Cl)=C(N)C=C1 Nc1ccc(N)c(Cl)c1 Molport-000-002-555
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NC1=C(Cl)C=C(C=C1)[N+]([O-])=O Nc1ccc(cc1Cl)[N+]([O-])=O Molport-000-002-556
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ClC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 Clc1ccc(NC(=O)c2ccccc2)cc1 Molport-000-002-557
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CC(C)(C)OC(=O)NC1=NC=CC(Cl)=C1 CC(C)(C)OC(=O)Nc1cc(Cl)ccn1 Molport-000-002-558
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CC1(C)OB(OC1(C)C)C1=CC(Cl)=NC=C1 CC1(C)OB(OC1(C)C)c1ccnc(Cl)c1 Molport-000-002-559
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OC(=O)CC1=CC=CC=C1C#N OC(=O)Cc1ccccc1C#N Molport-000-002-560
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OC(=O)CC1=CC=CC(=C1)C#N OC(=O)Cc1cccc(c1)C#N Molport-000-002-561
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CC1=C(N)C(=CC(Cl)=C1)[N+]([O-])=O Cc1cc(Cl)cc(c1N)[N+]([O-])=O Molport-000-002-562
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CC1=C(N(N=C1C(O)=O)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Cl)C=C1 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(O)=O Molport-000-002-563
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O[C@H]1CC[C@@H](CC1)NC(=O)OCC1=CC=CC=C1 O[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 Molport-000-002-564
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OC(=O)C1CCCN(C1)C(=O)OCC1=CC=CC=C1 OC(=O)C1CCCN(C1)C(=O)OCc1ccccc1 Molport-000-002-565
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O=C1CCC(=O)C1 O=C1CCC(=O)C1 Molport-000-002-566
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ClC1=CC=C(C=C1)C1=CC=C(C=O)C=C1 Clc1ccc(cc1)-c1ccc(C=O)cc1 Molport-000-002-568
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ClC1=NC=CC(I)=C1 Clc1cc(I)ccn1 Molport-000-002-569
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C1CCC(CC1)C1=CSC=C1 C1CCC(CC1)c1ccsc1 Molport-000-002-570
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OCC1CCN(C1)C(=O)OCC1=CC=CC=C1 OCC1CCN(C1)C(=O)OCc1ccccc1 Molport-000-002-572
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OC[C@@H]1CCN(C1)C(=O)OCC1=CC=CC=C1 OC[C@@H]1CCN(C1)C(=O)OCc1ccccc1 Molport-000-002-573
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OC[C@H]1CCN(C1)C(=O)OCC1=CC=CC=C1 OC[C@H]1CCN(C1)C(=O)OCc1ccccc1 Molport-000-002-574
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ClC(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 ClC(=O)C1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-575
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OC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1 OC(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Molport-000-002-576
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OCC1=CC=C(C=C1)C1=CC=C(Cl)C=C1 OCc1ccc(cc1)-c1ccc(Cl)cc1 Molport-000-002-577
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OCC1=CC(=CC=C1)C1=CC=C(Cl)C=C1 OCc1cccc(c1)-c1ccc(Cl)cc1 Molport-000-002-578
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ClC1=CC=C(C=C1)C1=CC=CC(C=O)=C1 Clc1ccc(cc1)-c1cccc(C=O)c1 Molport-000-002-579
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OC(=O)C1=CC=C(C=C1)C1=CC(Cl)=CC=C1 OC(=O)c1ccc(cc1)-c1cccc(Cl)c1 Molport-000-002-580
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OC(=O)C1=CC(=CC=C1)C1=CC(Cl)=CC=C1 OC(=O)c1cccc(c1)-c1cccc(Cl)c1 Molport-000-002-582
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OCC1=CC(=CC=C1)C1=CC(Cl)=CC=C1 OCc1cccc(c1)-c1cccc(Cl)c1 Molport-000-002-583
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ClC1=CC=CC(=C1)C1=CC=CC(C=O)=C1 Clc1cccc(c1)-c1cccc(C=O)c1 Molport-000-002-584
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OC(=O)C1=CC=C(C=C1)C1=C(Cl)C=CC=C1 OC(=O)c1ccc(cc1)-c1ccccc1Cl Molport-000-002-585
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ClC1=C(C=CC=C1)C1=CC=C(C=O)C=C1 Clc1ccccc1-c1ccc(C=O)cc1 Molport-000-002-587
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OCC1=CC=CC(=C1)C1=C(Cl)C=CC=C1 OCc1cccc(c1)-c1ccccc1Cl Molport-000-002-588
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ClC1=C(C=CC=C1)C1=CC(C=O)=CC=C1 Clc1ccccc1-c1cccc(C=O)c1 Molport-000-002-589
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ClCCN(CCCl)C(=O)OCC1=CC=CC=C1 ClCCN(CCCl)C(=O)OCc1ccccc1 Molport-000-002-590
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OCC1=CC(Cl)=NC=C1 OCc1ccnc(Cl)c1 Molport-000-002-591
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ClC1=NC=CC(C=O)=C1 Clc1cc(C=O)ccn1 Molport-000-002-592
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ClC1=NC=CN=C1C#N Clc1nccnc1C#N Molport-000-002-593
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