text
stringlengths
23
3.17k
COC1=CC=C2NC(C)=C(C#N)C2=C1 COc1ccc2[nH]c(C)c(C#N)c2c1 Molport-000-002-612
COC1=C(OC)C=C2C(NC=C2C#N)=C1 COc1cc2[nH]cc(C#N)c2cc1OC Molport-000-002-613
OC1=CC=C2NC=C(C#N)C2=C1 Oc1ccc2[nH]cc(C#N)c2c1 Molport-000-002-614
[O-][N+](=O)C1=CC=C2NC=C(C#N)C2=C1 [O-][N+](=O)c1ccc2[nH]cc(C#N)c2c1 Molport-000-002-615
OC(=O)C1=C2C(NC=C2C#N)=CC=C1 OC(=O)c1cccc2[nH]cc(C#N)c12 Molport-000-002-616
OC(=O)C1=CC=C2NC=C(C#N)C2=C1 OC(=O)c1ccc2[nH]cc(C#N)c2c1 Molport-000-002-617
Cl.N[C@@H](C1=CC=C(Cl)C=C1)C(F)(F)F Cl.N[C@@H](c1ccc(Cl)cc1)C(F)(F)F Molport-000-002-618
ClCC1=NNC(=O)N1 ClCc1n[nH]c(=O)[nH]1 Molport-000-002-619
O=C(OCC1=CC=CC=C1)N1C2CCC1CC(=O)C2 O=C(OCc1ccccc1)N1C2CCC1CC(=O)C2 Molport-000-002-620
ClC1=CC(=O)CCC1 ClC1=CC(=O)CCC1 Molport-000-002-622
O=C(OCC1=CC=CC=C1)N1CC2CCC1C2=O O=C(OCc1ccccc1)N1CC2CCC1C2=O Molport-000-002-625
OC(=O)CCC1CCN(CC1)C(=O)OCC1=CC=CC=C1 OC(=O)CCC1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-626
COC1=CC=C2N=C(SC2=C1)C#N COc1ccc2nc(sc2c1)C#N Molport-000-002-629
FC1=CC2=C(Cl)N=CN=C2C=C1 Fc1ccc2ncnc(Cl)c2c1 Molport-000-002-632
ClC1=C2C=C(I)C=CC2=NC=N1 Clc1ncnc2ccc(I)cc12 Molport-000-002-633
OC[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1 OC[C@@H]1CCCN1C(=O)OCc1ccccc1 Molport-000-002-634
COC(=O)CC1CCC1 COC(=O)CC1CCC1 Molport-000-002-639
[O-][N+](=O)C1=CN=C2C=CC=CC2=C1Cl [O-][N+](=O)c1cnc2ccccc2c1Cl Molport-000-002-641
OC(=O)C1=NNC2=CC=C(Cl)C=C12 OC(=O)c1n[nH]c2ccc(Cl)cc12 Molport-000-002-643
OC1=C(Cl)C(F)=CC=C1 Oc1cccc(F)c1Cl Molport-000-002-646
OC1=C(I)C(Cl)=CC=C1 Oc1cccc(Cl)c1I Molport-000-002-647
OC1=C(Cl)C(I)=CC=C1 Oc1cccc(I)c1Cl Molport-000-002-648
OC(=O)C1=CN=C(NC2=CC=C(Cl)C=C2)S1 OC(=O)c1cnc(Nc2ccc(Cl)cc2)s1 Molport-000-002-649
OC(=O)C1=C(C=C(Cl)C=C1)C(O)=O OC(=O)c1ccc(Cl)cc1C(O)=O Molport-000-002-650
C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 Molport-000-002-651
NC(CS(O)(=O)=O)C(O)=O NC(CS(O)(=O)=O)C(O)=O Molport-000-002-652
CC1=C(CC(O)=O)C2=CC(Cl)=CC=C2N1 Cc1[nH]c2ccc(Cl)cc2c1CC(O)=O Molport-000-002-653
Cl.NC(=N)COC1=CC=C(Cl)C=C1 Cl.NC(=N)COc1ccc(Cl)cc1 Molport-000-002-654
OC(=O)C1=C(Cl)NC2=CC=CC=C12 OC(=O)c1c(Cl)[nH]c2ccccc12 Molport-000-002-655
OC(=O)C1=CC2=CC=C(Cl)C=C2N1 OC(=O)c1cc2ccc(Cl)cc2[nH]1 Molport-000-002-656
CCOC(=O)C1=C(C=O)C2=CC(Cl)=CC=C2N1 CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C=O Molport-000-002-657
NNC1=CC(=CC=C1Cl)C(O)=O NNc1cc(ccc1Cl)C(O)=O Molport-000-002-659
OC(=O)C1=CC2=C(Cl)C=CC=C2N1 OC(=O)c1cc2c(Cl)cccc2[nH]1 Molport-000-002-660
OC(=O)\C=C\C1=CC=C(O)C=C1Cl OC(=O)\C=C\c1ccc(O)cc1Cl Molport-000-002-661
CC(C)(C)OC(=O)N1CCCC(CC2=CC=C(Cl)C=C2)(C1)C(O)=O CC(C)(C)OC(=O)N1CCCC(Cc2ccc(Cl)cc2)(C1)C(O)=O Molport-000-002-666
CC(C)(C)OC(=O)N1CCNC(C1)C1=CC=C(Cl)C=C1 CC(C)(C)OC(=O)N1CCNC(C1)c1ccc(Cl)cc1 Molport-000-002-667
NC(=O)C1(CCC1)C(O)=O NC(=O)C1(CCC1)C(O)=O Molport-000-002-668
CC(C)(C)OC(=O)N1CCOCC1CC(O)=O CC(C)(C)OC(=O)N1CCOCC1CC(O)=O Molport-000-002-669
COC(=O)C1=CNC2=CC=C(Cl)C=C12 COC(=O)c1c[nH]c2ccc(Cl)cc12 Molport-000-002-674
COC(=O)C1=CC=C(O)C=C1Cl COC(=O)c1ccc(O)cc1Cl Molport-000-002-675
COC(=O)C1=CC2=C(Cl)C=CC=C2N1 COC(=O)c1cc2c(Cl)cccc2[nH]1 Molport-000-002-676
COC(=O)C1=CC2=CC=C(Cl)C=C2N1 COC(=O)c1cc2ccc(Cl)cc2[nH]1 Molport-000-002-677
O=C1CCC2=C1NC1=CC=C(C=C21)C1CCCCC1 O=C1CCc2c1[nH]c1ccc(cc21)C1CCCCC1 Molport-000-002-679
CCOC(=O)\C=C\C1=CC=C(Cl)N=C1 CCOC(=O)\C=C\c1ccc(Cl)nc1 Molport-000-002-680
CC(C)(C)OC(=O)N1CC(CC(O)=O)C1 CC(C)(C)OC(=O)N1CC(CC(O)=O)C1 Molport-000-002-681
CC(C)(C)OC(=O)N1CC(C1)OCC(O)=O CC(C)(C)OC(=O)N1CC(C1)OCC(O)=O Molport-000-002-682
CC(C)(C)OC(=O)N1CCC(C1)OCC(O)=O CC(C)(C)OC(=O)N1CCC(C1)OCC(O)=O Molport-000-002-683
CC(C)(C)OC(=O)N1CCC[C@@H](CC(O)=O)C1 CC(C)(C)OC(=O)N1CCC[C@@H](CC(O)=O)C1 Molport-000-002-684
OC(=O)CC1CN(C1)C(=O)OCC1=CC=CC=C1 OC(=O)CC1CN(C1)C(=O)OCc1ccccc1 Molport-000-002-685
CC(C)(C)OC(=O)N1CCCC(C1)OCC(O)=O CC(C)(C)OC(=O)N1CCCC(C1)OCC(O)=O Molport-000-002-686
CC(C)(C)OC(=O)N1CCC(COCC(O)=O)C1 CC(C)(C)OC(=O)N1CCC(COCC(O)=O)C1 Molport-000-002-687
OC(=O)CC1CCCCN1C(=O)OCC1=CC=CC=C1 OC(=O)CC1CCCCN1C(=O)OCc1ccccc1 Molport-000-002-688
COC(=O)C1=C(Cl)C2=CC=CC=C2N1 COC(=O)c1[nH]c2ccccc2c1Cl Molport-000-002-691
OC1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Oc1ccccc1NC(=O)c1cccnc1Cl Molport-000-002-692
ClCC(=O)C1=CNC(\C=C2/C(=O)NC3=C2C=CC=C3)=C1 ClCC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1 Molport-000-002-693
CCOC(=O)CC(=O)CC1=CC(Cl)=CC=C1 CCOC(=O)CC(=O)Cc1cccc(Cl)c1 Molport-000-002-696
CC(C)(C)OC(=O)N1CCC(CC1)N1CCC[C@@H]1C(O)=O CC(C)(C)OC(=O)N1CCC(CC1)N1CCC[C@@H]1C(O)=O Molport-000-002-697
CCOC(=O)C1=NNC2=CC=C(Cl)C=C12 CCOC(=O)c1n[nH]c2ccc(Cl)cc12 Molport-000-002-698
OC(=O)C1=CN=C(N2CCNCC2)C(Cl)=C1 OC(=O)c1cnc(N2CCNCC2)c(Cl)c1 Molport-000-002-703
NC(=N)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 NC(=N)C1CCN(CC1)C(=O)OCc1ccccc1 Molport-000-002-704
OC(=O)CC1COCCN1C(=O)OCC1=CC=CC=C1 OC(=O)CC1COCCN1C(=O)OCc1ccccc1 Molport-000-002-705
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(O)=O CC(C)(C)OC(=O)N1CCCC[C@H]1CC(O)=O Molport-000-002-706
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(O)=O CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(O)=O Molport-000-002-707
OC(=O)C1=C(O)C2=CC(Cl)=CC=C2N=C1 OC(=O)c1cnc2ccc(Cl)cc2c1O Molport-000-002-710
ClCC(=O)C1=CNC2=CC=C(Cl)C=C12 ClCC(=O)c1c[nH]c2ccc(Cl)cc12 Molport-000-002-711
NCC1=CC2=CC=CC=C2N1 NCc1cc2ccccc2[nH]1 Molport-000-002-712
NC[C@H]1CCCN1 NC[C@H]1CCCN1 Molport-000-002-713
NCC1=C2C=CNC2=CC=C1 NCc1cccc2[nH]ccc12 Molport-000-002-714
NCC1=C2NC=CC2=CC=C1 NCc1cccc2cc[nH]c12 Molport-000-002-715
NNC(=O)C1=NNC=C1Cl NNC(=O)c1n[nH]cc1Cl Molport-000-002-721
NCC1COCCN1CC1=CC=CC=C1 NCC1COCCN1Cc1ccccc1 Molport-000-002-722
NCC1=NC2=CC=CC=C2N1CC1=CC=CC=C1 NCc1nc2ccccc2n1Cc1ccccc1 Molport-000-002-723
CC(C)(C)OC(=O)N1CCNC(CC(O)=O)C1 CC(C)(C)OC(=O)N1CCNC(CC(O)=O)C1 Molport-000-002-724
CC(C)(C)OC(=O)N1C=C(CCC(O)=O)C2=CC=CC=C12 CC(C)(C)OC(=O)n1cc(CCC(O)=O)c2ccccc12 Molport-000-002-726
CCOC(=O)N1CCN(CC1)C(N)=N CCOC(=O)N1CCN(CC1)C(N)=N Molport-000-002-727
NCC1=CC=C2NC=CC2=C1 NCc1ccc2[nH]ccc2c1 Molport-000-002-728
OC(=O)CCCC(Cl)=C OC(=O)CCCC(Cl)=C Molport-000-002-729
OC(=O)CCC1=NC2=CC=C(Cl)C=C2N1 OC(=O)CCc1nc2ccc(Cl)cc2[nH]1 Molport-000-002-731
OC(=O)C1=C(Cl)C=C2C(NC3=C2CCCC3)=C1 OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl Molport-000-002-732
OC(=O)C1=C2C=C(Cl)C=CC2=NC(=C1)C1=CC=CC(O)=C1 OC(=O)c1cc(nc2ccc(Cl)cc12)-c1cccc(O)c1 Molport-000-002-733
CC(C)C(=O)C1=CC=C(Cl)N=C1 CC(C)C(=O)c1ccc(Cl)nc1 Molport-000-002-749
CCC(=O)C1=CC=C(Cl)N=C1 CCC(=O)c1ccc(Cl)nc1 Molport-000-002-750
CCC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O CCC(=O)c1ccc(Cl)c(c1)[N+]([O-])=O Molport-000-002-751
COC1=C(C=C(Cl)C=C1)C(C)=O COc1ccc(Cl)cc1C(C)=O Molport-000-002-752
ClC1=CC=C(C=N1)C(=O)C1CC1 Clc1ccc(cn1)C(=O)C1CC1 Molport-000-002-755
CC1=CC=CC=C1C(=O)C1=CC=C(Cl)N=C1 Cc1ccccc1C(=O)c1ccc(Cl)nc1 Molport-000-002-756
COC1=C(C=C(Cl)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1 COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(Cl)c1 Molport-000-002-757
CCOC(=O)C1=CC=C(C=C1)C(=O)C1=CC=C(Cl)N=C1 CCOC(=O)c1ccc(cc1)C(=O)c1ccc(Cl)nc1 Molport-000-002-758
CC1=CC=C(NC2=NC3=C(Cl)N=CN=C3S2)C=C1 Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 Molport-000-002-763
[O-][N+](=O)C1=CC=C(NC2=NC3=C(Cl)N=CN=C3S2)C=C1 [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 Molport-000-002-766
CC(C)NC1=NC2=C(Cl)N=CN=C2S1 CC(C)Nc1nc2c(Cl)ncnc2s1 Molport-000-002-768
FC1(F)CCN(C1)C(=O)OCC1=CC=CC=C1 FC1(F)CCN(C1)C(=O)OCc1ccccc1 Molport-000-002-771
OC(=O)C1=C(NC2=CC(Cl)=CC=C2)C=CC=C1 OC(=O)c1ccccc1Nc1cccc(Cl)c1 Molport-000-002-772
COC1=CC=C(NC2=C(C=CC(Cl)=C2)C(O)=O)C=C1 COc1ccc(Nc2cc(Cl)ccc2C(O)=O)cc1 Molport-000-002-774
NC1=C2NC=NC2=NC(Cl)=N1 Nc1nc(Cl)nc2nc[nH]c12 Molport-000-002-775
ClC1=CC=CC(Br)=C1Br Clc1cccc(Br)c1Br Molport-000-002-777
[Na+].OC(=O)C1=CC=C(Cl)C=C1C([O-])=O [Na+].OC(=O)c1ccc(Cl)cc1C([O-])=O Molport-000-002-784
ClC1=CC=C2SC3=CC=CC=C3C(=O)C2=C1 Clc1ccc2sc3ccccc3c(=O)c2c1 Molport-000-002-785
[O-][N+](=O)C1=CC=CN=C1C#N [O-][N+](=O)c1cccnc1C#N Molport-000-002-786
OC(=O)C1(CC1)C1=CC=C(Cl)C=C1 OC(=O)C1(CC1)c1ccc(Cl)cc1 Molport-000-002-789