text
stringlengths
23
3.07k
CC1=C(C\C=C\Cl)C(=O)C2=C(N1)C=CC1=C2C=CC=C1 Cc1[nH]c2ccc3ccccc3c2c(=O)c1C\C=C\Cl Molport-053-243-454
COC1=CC=CC(CN=C2NNC=N2)=C1OCC=C COc1cccc(CN=c2nc[nH][nH]2)c1OCC=C Molport-053-243-455
CC1=CC(NO1)=NC(=O)C1=CC(Br)=CC=C1 Cc1cc(=NC(=O)c2cccc(Br)c2)[nH]o1 Molport-053-243-456
CC1=CC=[N+](CCCCC(=O)N=C2C=CC(C=C2)=NN=C2C=CC(C=C2)=[N+]([O-])[O-])C=C1 Cc1cc[n+](CCCCC(=O)N=C2C=CC(C=C2)=NN=C2C=CC(C=C2)=[N+]([O-])[O-])cc1 Molport-053-243-457
CCOC(=O)C1=CNC2=CC=CC=C2C1=NC1=CC=C(C=C1)C(=O)OC CCOC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(cc1)C(=O)OC Molport-053-243-458
CCC1=CC=C(NC2=NC(CSC3=NC(C)=CC(C)=N3)=NC(=N)N2)C=C1 CCc1ccc(Nc2nc(CSc3nc(C)cc(C)n3)nc(=N)[nH]2)cc1 Molport-053-243-459
CCCN1NC(=NC(=O)C2=CC=C(OC)C=C2)N=N1 CCCn1nnc(=NC(=O)c2ccc(OC)cc2)[nH]1 Molport-053-243-460
COC1=CC=C(C=C1)C1=CC(=NC(SCC(=O)N=C2NOC(C)=C2)=C1C#N)C1=CC=CC=C1 COc1ccc(cc1)-c1cc(nc(SCC(=O)N=c2cc(C)o[nH]2)c1C#N)-c1ccccc1 Molport-053-243-461
CC1=CC=[N+](C=C1)C1=NC(=O)SC1=C[O-] Cc1cc[n+](cc1)C1=NC(=O)SC1=C[O-] Molport-053-243-462
O=C(NCCCNC1CCCCC1)C1=NC(=O)C2=CC=CC=C2N1 O=C(NCCCNC1CCCCC1)c1nc(=O)c2ccccc2[nH]1 Molport-053-243-463
N=C1SNC(SCCC2=CC=CC=C2)=N1 N=c1nc(SCCc2ccccc2)[nH]s1 Molport-053-243-464
CCOC1=C(CN=C2NNN=N2)C=CC=C1OC CCOc1c(CN=c2nn[nH][nH]2)cccc1OC Molport-053-243-465
COC1=CC(=CC=C1O)C1NC(=N)NC2=NC3=CC=CC=C3N12 COc1cc(ccc1O)C1NC(=N)Nc2nc3ccccc3n12 Molport-053-243-466
CCCC1=NC(SCC2=CC=CN=C2)=NC(O)=C1 CCCc1cc(O)nc(SCc2cccnc2)n1 Molport-053-243-467
CCOC1=CC=CC(=C1)C1=NNC(=N)S1 CCOc1cccc(c1)-c1n[nH]c(=N)s1 Molport-053-243-468
O=C(NC1=NNN=N1)C1CCCO1 O=C(Nc1nn[nH]n1)C1CCCO1 Molport-053-243-469
CC1=CC=C(NC(=O)CSC2=NC(N)=CC(=N)N2)C=C1 Cc1ccc(NC(=O)CSc2nc(N)cc(=N)[nH]2)cc1 Molport-053-243-470
COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=C(C#CCCCCC#C)C(=O)NC1=O)(C1=CC=CC=C1)C1=CC=C(OC)C=C1 COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C#CCCCCC#C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1 Molport-053-243-471
CC(=O)NC1=CC=C(C=C1)C1N2NC=NC2=NC(C)=C1C(=O)NC1=CC=CC=C1 CC(=O)Nc1ccc(cc1)C1N2NC=NC2=NC(C)=C1C(=O)Nc1ccccc1 Molport-053-243-472
COC1=CC(CN=C2NNC=N2)=CC(Cl)=C1OCC=C COc1cc(CN=c2nc[nH][nH]2)cc(Cl)c1OCC=C Molport-053-243-473
CCN(CC)C(=O)C(C)N(C#N)C1=NC(NC(N1)=NC(C)C)=NC(C)C CCN(CC)C(=O)C(C)N(C#N)c1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 Molport-053-243-474
CN(C)CCCNCCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1 CN(C)CCCNCCCNC(=O)c1nc(=O)c2ccccc2[nH]1 Molport-053-243-475
OC1=CC=CC=C1C1=NNC(\C=C\C2=CC=CC=C2Cl)=N1 Oc1ccccc1-c1n[nH]c(\C=C\c2ccccc2Cl)n1 Molport-053-243-476
ClC1=CC=C2N=C(NC2=C1)N1CCOCC1 Clc1ccc2nc([nH]c2c1)N1CCOCC1 Molport-053-243-477
CCOC1=CC(CN=C2N=NNN2C)=CC=C1OC CCOc1cc(CN=c2nn[nH]n2C)ccc1OC Molport-053-243-478
CSC1=C(C#N)C(SCCS(=O)(=O)C2=CC=C(Cl)C=C2)=NC(=N)N1 CSc1[nH]c(=N)nc(SCCS(=O)(=O)c2ccc(Cl)cc2)c1C#N Molport-053-243-479
N=C1NC2=C(CCCC2)C2=C1C(=O)OC1=C2C=CC=C1 N=c1[nH]c2CCCCc2c2c3ccccc3oc(=O)c12 Molport-053-243-480
ClC1=CC=CC(Cl)=C1CN=C1NNC=N1 Clc1cccc(Cl)c1CN=c1nc[nH][nH]1 Molport-053-243-481
CC1(C)CC2=C(CO1)C=C(C#N)C(=N)N2 CC1(C)Cc2[nH]c(=N)c(cc2CO1)C#N Molport-053-243-482
CCN=C1NC(NC(=N1)N(N1C=NN=C1)S(=O)(=O)C1=CC=C(C)C=C1)=NC(C)C CCN=c1nc([nH]c(=NC(C)C)[nH]1)N(n1cnnc1)S(=O)(=O)c1ccc(C)cc1 Molport-053-243-483
CCCN1NC(=NC(=O)C2=CC=C(C)C(Cl)=C2)N=N1 CCCn1nnc(=NC(=O)c2ccc(C)c(Cl)c2)[nH]1 Molport-053-243-484
COC1=CC=C(CC2=NNC(S2)=NC(=O)C2=CC=C(Br)C=C2)C=C1OC COc1ccc(Cc2n[nH]c(=NC(=O)c3ccc(Br)cc3)s2)cc1OC Molport-053-243-485
ClC1=CC=CC(NC(=O)N=C2NN=C(S2)C2=CC=CO2)=C1 Clc1cccc(NC(=O)N=c2[nH]nc(s2)-c2ccco2)c1 Molport-053-243-486
CC1=CC=CC(=C1)N=C1NC(NC(N)=C1[N+]([O-])=O)=NC1=CC=CC=C1F Cc1cccc(c1)N=c1[nH]c(=Nc2ccccc2F)[nH]c(N)c1[N+]([O-])=O Molport-053-243-487
CC(C)CCN=C1NC=NC2=C1OC1=C2C2=C(COC(C)(C)C2)C(C)=N1 CC(C)CCN=c1[nH]cnc2c1oc1nc(C)c3COC(C)(C)Cc3c21 Molport-053-243-488
CC1CC(CCC(C)=NNC(N)=O)C(=O)O1 CC1CC(CCC(C)=NNC(N)=O)C(=O)O1 Molport-053-243-489
NC1=CC(=N)NC(SCC2=CC=NC=C2)=N1 Nc1cc(=N)[nH]c(SCc2ccncc2)n1 Molport-053-243-490
COC1=CC=C(C=C1)N=C1N=CN=C2NNC=C12 COc1ccc(cc1)N=c1ncnc2[nH][nH]cc12 Molport-053-243-491
COC1=CC=C(CN=C2N=NNN2C)C=C1 COc1ccc(CN=c2nn[nH]n2C)cc1 Molport-053-243-492
COC1=CC=CC=C1N1C(S)=NN=C1C1=NNC(=C1)C1CC1 COc1ccccc1-n1c(S)nnc1-c1cc([nH]n1)C1CC1 Molport-053-243-493
NC(=O)C(=CC1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)C#N NC(=O)C(=Cc1ccc(o1)-c1ccc(cc1)S(N)(=O)=O)C#N Molport-053-243-494
CCN(CC)C1=CC=C(C=C1)C1N2NC=NC2=NC(C)=C1C(=O)NC1=CC=CC=C1C CCN(CC)c1ccc(cc1)C1N2NC=NC2=NC(C)=C1C(=O)Nc1ccccc1C Molport-053-243-495
CC1=CC=C(OCCSC2=NC(N)=CC(=N)N2)C=C1 Cc1ccc(OCCSc2nc(N)cc(=N)[nH]2)cc1 Molport-053-243-496
CC1CN(CC2=C(C)NC3=C(C=CC4=C3C=CC=C4)C2=O)CC(C)O1 CC1CN(Cc2c(C)[nH]c3c4ccccc4ccc3c2=O)CC(C)O1 Molport-053-243-497
NC(=S)NN\C=C1/C=CC(=O)C(O)=C1 NC(=S)NN\C=C1/C=CC(=O)C(O)=C1 Molport-053-243-499
COC1=CC(C=CC1=O)=C1NC(=C(N1)C1=CC=CC=C1)C1=CC=CC=C1 COC1=CC(C=CC1=O)=C1NC(=C(N1)c1ccccc1)c1ccccc1 Molport-053-243-500
COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=NC2=C(N=CN(C)C)N=C(OC(=O)N(C3=CC=CC=C3)C3=CC=CC=C3)N=C12)(C1=CC=CC=C1)C1=CC=C(OC)C=C1 COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(N=CN(C)C)nc(OC(=O)N(c3ccccc3)c3ccccc3)nc12)(c1ccccc1)c1ccc(OC)cc1 Molport-053-243-501
CC(=O)NC1=CC=C(N\C=C2/C=CC=CC2=O)C=C1 CC(=O)Nc1ccc(N\C=C2/C=CC=CC2=O)cc1 Molport-053-243-502
[I-].CN1C=C(Cl)[N+](C)=C1 [I-].Cn1cc(Cl)[n+](C)c1 Molport-053-243-503
CCCCSC1=C2N=CN=C2C(=S)NN1 CCCCSc1[nH][nH]c(=S)c2ncnc12 Molport-053-243-505
IC1=CC=C(CSC2=C3N=CN=C3C(=S)NN2)C=C1 Ic1ccc(CSc2[nH][nH]c(=S)c3ncnc23)cc1 Molport-053-243-506
[O-][N+](=O)C1=CC=CC=C1NN\C=C1/C=NC2=C1C=CC=C2 [O-][N+](=O)c1ccccc1NN\C=C1/C=Nc2ccccc12 Molport-053-243-507
COC(=O)NN\C=C1/C=NC2=C1C=CC=C2 COC(=O)NN\C=C1/C=Nc2ccccc12 Molport-053-243-508
CC1=CC(C)=C(C#N)C(=O)N1N\C=C1/C=CC=CC1=O Cc1cc(C)n(N\C=C2/C=CC=CC2=O)c(=O)c1C#N Molport-053-243-509
COC1=CC=C(C=C2SC(NO)=NC2=O)C=C1 COc1ccc(C=C2SC(NO)=NC2=O)cc1 Molport-053-243-510
COC1=CC=C(C=C1)N=C1N(C)C(=S)N(\C1=N\C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1 COc1ccc(cc1)N=C1N(C)C(=S)N(\C1=N\c1ccc(OC)cc1)c1ccc(OC)cc1 Molport-053-243-511
CC1=CC(=O)C2=C(N1)C=CC1=C2C=CC=C1 Cc1cc(=O)c2c(ccc3ccccc23)[nH]1 Molport-053-243-512
COC1=CC=C2N=C(NC2=C1)C(C)O COc1ccc2nc([nH]c2c1)C(C)O Molport-053-243-513
C(CSC1=C2NC=NC2=NC=N1)OC1=CC=CC=C1 C(CSc1ncnc2nc[nH]c12)Oc1ccccc1 Molport-053-243-514
COC1=CC=C(N\N=C2/C=CC(=O)C3=C2C=CC=C3)C=C1 COc1ccc(N\N=C2/C=CC(=O)c3ccccc23)cc1 Molport-053-243-515
OC1=C(CC2=CC=CC=C2)C(=O)N=C2NC3=CC=CC=C3N12 Oc1c(Cc2ccccc2)c(=O)nc2[nH]c3ccccc3n12 Molport-053-243-516
C\C(NO)=N/C1=CC=CC=C1 C\C(NO)=N/c1ccccc1 Molport-053-243-517
[O-][N+](=O)C1=C(NC(=O)NC1=O)C1=CC=CC=C1 [O-][N+](=O)c1c([nH]c(=O)[nH]c1=O)-c1ccccc1 Molport-053-243-518
NC1=NC(=S)N=C2NNN=C12 Nc1nc(=S)nc2[nH][nH]nc12 Molport-053-243-519
ClC1=CC=CC=C1C1=CC=C(O1)\C=N\N1C(=S)NN=C1C1=CC=CC=C1 Clc1ccccc1-c1ccc(\C=N\n2c(n[nH]c2=S)-c2ccccc2)o1 Molport-053-243-520
CC1=CC(=O)N=C(N\N=C\C2=CC=CC(=C2)[N+]([O-])=O)N1 Cc1cc(=O)nc(N\N=C\c2cccc(c2)[N+]([O-])=O)[nH]1 Molport-053-243-521
CSC1=NC2=NC=NC(N)=C2N1 CSc1nc2ncnc(N)c2[nH]1 Molport-053-243-522
CCOC1=CC=C(C=C1OC)C1N2NC(CCCO)=NC2=NC(C)=C1C(=O)NC1=CC=CC=C1C CCOc1ccc(cc1OC)C1N2NC(CCCO)=NC2=NC(C)=C1C(=O)Nc1ccccc1C Molport-053-243-523
CCN1C(NC2=C(C=CC=C2)C1=O)=CC=C1C=NC2=C1C=CC=C2 CCN1C(Nc2ccccc2C1=O)=CC=C1C=Nc2ccccc12 Molport-053-243-524
NC1=NC(=O)C2=CC(=CN=C2N1)[N+]([O-])=O Nc1nc(=O)c2cc(cnc2[nH]1)[N+]([O-])=O Molport-053-243-525
CCCCN1NN=NC1=NCC1=CC=CN1C CCCCn1[nH]nnc1=NCc1cccn1C Molport-053-243-526
CN1NN=NC1=NCC1=CC=C(O1)C1=CC=CC=C1 Cn1[nH]nnc1=NCc1ccc(o1)-c1ccccc1 Molport-053-243-527
C=CCN1NC(=NC(=O)C2=CC3=CC=CC=C3O2)N=N1 C=CCn1nnc(=NC(=O)c2cc3ccccc3o2)[nH]1 Molport-053-243-528
O=C1N(C2C3=CC=CC=C3OC3=C2C=CC=C3)C(=S)SC1=CC1=CC=CC=C1 O=C1N(C2c3ccccc3Oc3ccccc23)C(=S)SC1=Cc1ccccc1 Molport-053-243-529
COC1=CC=C(CC2=C(O)NC(=NC3=CC(C)=CC(C)=C3)N=N2)C=C1OC COc1ccc(Cc2nnc(=Nc3cc(C)cc(C)c3)[nH]c2O)cc1OC Molport-053-243-530
CN1C2=C(N(CC(=O)N=C3C=CNC=C3)C=N2)C(=O)N(C)C1=O Cn1c2ncn(CC(=O)N=c3cc[nH]cc3)c2c(=O)n(C)c1=O Molport-053-243-531
BrC1=C[N+]([CH-]C=C1)=C(C#N)C#N BrC1=C[N+]([CH-]C=C1)=C(C#N)C#N Molport-053-243-532
CCN(CC)C1=CN=NC(O)=C1Cl CCN(CC)c1cnnc(O)c1Cl Molport-053-243-533
ClC1=CC=C(C=C1)C(=O)N1C(=S)NNC1=NCC1=CC=CC=C1 Clc1ccc(cc1)C(=O)n1c(=S)[nH][nH]c1=NCc1ccccc1 Molport-053-243-534
[O-][N+](=O)C1=CC=C(C=C1)N1N=C(C(=CNC(C2=CC=CC=C2)C2=CC=CC=C2)C1=O)C1=CC=CC=C1 [O-][N+](=O)c1ccc(cc1)N1N=C(C(=CNC(c2ccccc2)c2ccccc2)C1=O)c1ccccc1 Molport-053-243-535
CCC1=CC2=C(O)N=C(CC3=CC=CC=C3)N=C2S1 CCc1cc2c(O)nc(Cc3ccccc3)nc2s1 Molport-053-243-536
CCOC1=CC=C(C=C1)C1N2NC(CCCO)=NC2=NC(C)=C1C(N)=O CCOc1ccc(cc1)C1N2NC(CCCO)=NC2=NC(C)=C1C(N)=O Molport-053-243-537
CCOC(=O)C1=C(C)C2=C(NC(CC3=CC=C(Cl)C=C3)=NC2=O)S1 CCOC(=O)c1sc2[nH]c(Cc3ccc(Cl)cc3)nc(=O)c2c1C Molport-053-243-538
CC1=CC(NO1)=NC(=O)CC1=CC(F)=CC=C1 Cc1cc(=NC(=O)Cc2cccc(F)c2)[nH]o1 Molport-053-243-539
N=C1N=C(NN1C(=O)C1=CC=CO1)C1=CC=CC=C1 N=c1nc([nH]n1C(=O)c1ccco1)-c1ccccc1 Molport-053-243-540
CCCN1NN=NC1=NC(=O)C1=CC=CS1 CCCn1[nH]nnc1=NC(=O)c1cccs1 Molport-053-243-541
OC(=O)CN1C(NC2=CC=CC=C12)=NC1=CC=CC=C1 OC(=O)Cn1c2ccccc2[nH]c1=Nc1ccccc1 Molport-053-243-542
CC(=NNC(N)=O)C1(O)CCCCC1 CC(=NNC(N)=O)C1(O)CCCCC1 Molport-053-243-543
CC1=C(C(NN1)=NC1=CC=CC=C1)[N+]([O-])=O Cc1[nH][nH]c(=Nc2ccccc2)c1[N+]([O-])=O Molport-053-243-544
CC(C)C1=CC=C(C=C1)C(=O)CSC1=NNC(C)=N1 CC(C)c1ccc(cc1)C(=O)CSc1n[nH]c(C)n1 Molport-053-243-545
CCN=C1NC(OC2=CC=C(O)N=N2)=NC(N1)=NCC CCN=c1nc(Oc2ccc(O)nn2)[nH]c(=NCC)[nH]1 Molport-053-243-546
N=C1NC2=C(CCCC2)C(C2=CC=CS2)=C1C#N N=c1[nH]c2CCCCc2c(-c2cccs2)c1C#N Molport-053-243-547
CC1=CC(=NN1)C(=O)N\N=C\C=C\C1=CC=CC(=C1)[N+]([O-])=O Cc1cc(n[nH]1)C(=O)N\N=C\C=C\c1cccc(c1)[N+]([O-])=O Molport-053-243-548
CC1=NC(S)=C2C(=N1)C1=CC=CC=C1CC21CCCCC1 Cc1nc(S)c2c(n1)-c1ccccc1CC21CCCCC1 Molport-053-243-549
CC1=CC(OCC2=NNC(S2)=NC(=O)NC2=CC(Cl)=CC=C2)=CC(C)=C1 Cc1cc(C)cc(OCc2n[nH]c(=NC(=O)Nc3cccc(Cl)c3)s2)c1 Molport-053-243-550
COC1=CC=CC(NC(=O)N=C2NN=C(S2)C2=CC=CO2)=C1 COc1cccc(NC(=O)N=c2[nH]nc(s2)-c2ccco2)c1 Molport-053-243-551
CCOC(=O)C1=CNC2=CC=C(C=C2C1=NCC1=CC=CN=C1)C(=O)OC CCOC(=O)c1c[nH]c2ccc(cc2c1=NCc1cccnc1)C(=O)OC Molport-053-243-552
CN1C2=C(N(CC3=CC=CC=C3)C(N2)=NCC2CCCO2)C(=O)N(CC2=CC=CC=C2)C1=O Cn1c2[nH]c(=NCC3CCCO3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O Molport-053-243-553
CCCN1NN=NC1=NCC1=CC=C(Cl)C=C1Cl CCCn1[nH]nnc1=NCc1ccc(Cl)cc1Cl Molport-053-243-554
CCCCN1NN=NC1=NCC1=CC(Cl)=C(OC)C(OC)=C1 CCCCn1[nH]nnc1=NCc1cc(Cl)c(OC)c(OC)c1 Molport-053-243-555