compound
stringlengths 2
626
| solvent
stringclasses 356
values | lambda_max
float64 162
1.09k
| source
stringclasses 7
values |
|---|---|---|---|
CC1=CC(C)=[N+]2C1=Cc1c(C)c(C=C(Br)Br)c(C)n1[B-]2(F)F
|
CC#N
| 509
|
fluodb
|
CN(C)c1ccc(-n2ncc(-c3ccccc3)n2)cc1
|
C1CCOC1
| 316
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(c1ccc([N+](=O)[O-])cc1)c1c(C)cc(C)n1[B-]2(F)F
|
CCO
| 502
|
fluodb
|
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1
|
CC#N
| 334
|
fluodb
|
Cc1cc(C)c(C2=C3C=c4c([nH]c5ccc(C(C)(C)C)cc45)=[N+]3[B-](F)(F)n3c2cc2c4cc(C(C)(C)C)ccc4[nH]c23)c(C)c1
|
C1CCCCC1
| 613
|
fluodb
|
O=C(ON1C(=O)CCC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1Cl
|
O
| 521
|
fluodb
|
CCCCCCn1c2c(c3cc(-c4ccc(/C=c5\sc(=C(C#N)C#N)nc5O)cc4)ccc31)C(CCCCCC)(CCCCCC)c1ccccc1-2
|
ClCCl
| 434
|
fluodb
|
O=S1(=O)C2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc31)C1(C3=C(c4ccccc41)S(=O)(=O)c1cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc12
|
ClCCl
| 451
|
fluodb
|
COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4cccc5c(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc(c6cccc2c63)c54)cc1
|
C1CCCCC1
| 519
|
fluodb
|
COC(=O)c1ccc(-c2nc3ccc(N(C)C)cc3s2)cc1
|
CS(C)=O
| 405
|
fluodb
|
COc1cc2c(cc1C=C(C#N)C#N)c1ccccc1n2C
|
ClCCl
| 427
|
fluodb
|
COc1cc2cc(OC)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1
|
ClC(Cl)Cl
| 336
|
fluodb
|
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)cc2)cc1
|
ClCCl
| 439
|
fluodb
|
Cc1cc(C)c(C2=C3C=CC(C=O)=[N+]3[B-](F)(F)n3cccc32)c(C)c1
|
ClCCl
| 519
|
fluodb
|
Cc1cc(/C=C/c2ccccc2OCc2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F
|
CS(C)=O
| 561
|
fluodb
|
CCCCCCc1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)c3nc(CCCCCC)c(CCCCCC)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2nc1CCCCCC
|
ClCCl
| 584
|
fluodb
|
COc1ccc(/C=C/C2=CC(/C=C/c3ccc(OC)c(OC)c3)=[O+][B-](F)(F)O2)cc1OC
|
CCO
| 492
|
fluodb
|
C[O+]=C1C=CC(=C2c3c(C)c(C=C(Br)Br)c(C)n3[B-](F)(F)n3c(C)c(C=C(Br)Br)c(C)c32)C=C1
|
C1CCOC1
| 522
|
fluodb
|
CCCCOc1c(Br)cc2cc(Br)c(OCCCC)c3c4c(OCCCC)c(Br)cc5cc(Br)c(OCCCC)c(c1c23)c54
|
ClCCl
| 443
|
fluodb
|
C[N+](C)=C1C=CC(=CC=C2C=CN(CCCN3C=CC(=CC=C4C=CC(=[N+](C)C)C=C4)C=C3)C=C2)C=C1
|
CC(C)=O
| 484
|
fluodb
|
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3[o+]c2c1)CCCN5C
|
ClC(Cl)Cl
| 610
|
fluodb
|
CCCCN=C(O)c1ccc2ccc3c(N4CCCCC4)ccc4ccc1c2c43
|
ClC(Cl)Cl
| 376
|
fluodb
|
CCN(CC)c1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1
|
ClCCl
| 509
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(C(=O)OC1CCCCC1)c1c(C)cc(C)n1[B-]2(F)F
|
CO
| 510
|
fluodb
|
CCC1=[S+]C(=c2c(C)cc3n2[B-](C#CCN(C)C)(C#CCN(C)C)n2c(cc(C)c2-c2ccc(CC)s2)C=3)C=C1
|
Cc1ccccc1
| 601
|
fluodb
|
CN1C(C(O)=Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
|
CCCCO
| 330
|
fluodb
|
CCCCCCCC[O+]=C1C=CC(=C2c3c(C)cc(C)n3[B-](F)(F)n3c(C)cc(C)c32)C=C1
|
ClCCl
| 500
|
fluodb
|
O=C(c1ccncc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
|
Cc1ccccc1
| 359
|
fluodb
|
Cc1cc(/C=C/c2ccc(N(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F
|
CS(C)=O
| 603
|
fluodb
|
COc1ccn2c3c(c(-c4ccccc4)c2c1)CN(C(C)CO)C3=O
|
ClCCl
| 320
|
fluodb
|
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1
|
CS(C)=O
| 430
|
fluodb
|
CCOC(=O)c1ccc(C2=Cc3ccccc3P2(=O)c2ccccc2)cc1
|
ClCCl
| 353
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(/C=C/C(=O)/C=C(\O)c3ccccc3)c(C)n1[B-]2(F)F
|
CCO
| 542
|
fluodb
|
C1=Cc2cccc3cccc1c23
|
C1CCCCC1
| 325
|
fluodb
|
NCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCN)C5=O
|
CN(C)C=O
| 523
|
fluodb
|
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(N(C)C)cc1
|
ClC(Cl)Cl
| 383
|
fluodb
|
F[B-]1(F)n2cccc2C=C2C=CC=[N+]21
|
CC(C)=O
| 497.5
|
fluodb
|
Cc1cc(/C=C/c2ccc(SC(F)(F)F)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F
|
CS(C)=O
| 556
|
fluodb
|
CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1
|
CN(C)C=O
| 412
|
fluodb
|
CN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1
|
CC(O)CO
| 502
|
fluodb
|
F[B-]1(F)n2cccc2C(c2c(Cl)cccc2Cl)=C2C=CC(c3ccc[nH]3)=[N+]21
|
CO
| 580
|
fluodb
|
CCCCCCN1C(=O)c2c(-c3ccc(C=C(C#N)C(=O)O)s3)sc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)s3)c2C1=O
|
C1CCOC1
| 510
|
fluodb
|
Cc1ccc(N=Nc2c(O)nc3nc4ccccc4n3c2N)cc1
|
ClC(Cl)Cl
| 422
|
fluodb
|
c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ncccc54)cc(-n4c5ccccc5c5ncccc54)c3)n2)cc1
|
Cc1ccccc1
| 346
|
fluodb
|
C[N+](C)=C1C=CC(=C2C=C3c4ccccc4C=CN3[B-](F)(F)O2)C=C1
|
CC#N
| 458
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F
|
CC(=O)C(C)(C)C
| 499
|
fluodb
|
CCc1ccc2n1[B-](F)(F)n1c(CC)ccc1C2=C1C=CC(=[N+](c2ccccc2)c2ccccc2)C=C1
|
C1CCCCC1
| 512
|
fluodb
|
COC1=C2C=C(Cl)C(=[Cl+])N2[B-](F)(F)n2c1cc(Cl)c2Cl
|
CC#N
| 476
|
fluodb
|
c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)nc2-n2c3ccccc3c3ccccc32)nn1
|
ClCCl
| 337
|
fluodb
|
C#Cc1ccc(/C=C/C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)cc1
|
ClC(Cl)Cl
| 572
|
fluodb
|
CCC1=C(C)C2=C(c3ccccc3)c3c(C)c(CC)c(C)n3[B-](F)(F)[N+]2=C1C=O
|
ClCCl
| 506
|
fluodb
|
CC1=CC(C)=[N+]2C1C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(O)c(O)c3)n1[B-]2(F)F
|
CCO
| 574
|
fluodb
|
CC(C)n1nc(C#Cc2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21
|
O
| 350
|
fluodb
|
O=C(O)CCCCCn1c2ccc(Br)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(Br)ccc1n3CCCCCC(=O)O
|
CO
| 533
|
fluodb
|
CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc(N(c4ccccc4)c4ccc(/C=c5/s/c(=C6/SC(=S)N(CCCCCCCC)C6=O)n(CC(=O)O)c5=O)cc4)cc3)c(=O)n2CC(=O)O)SC1=S
|
ClC(Cl)Cl
| 535
|
fluodb
|
CCN1c2ccccc2Sc2cc(/C=C(\C#N)c3ccccc3)ccc21
|
CN(C)C=O
| 414
|
fluodb
|
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1
|
ClCCl
| 484
|
fluodb
|
CN(C)c1ccc2c(c1)-c1ccccc1C2=O
|
CC#N
| 431
|
fluodb
|
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2c1
|
CC#N
| 341
|
fluodb
|
c1ccc2sc(-c3ccc(-c4nnc(-c5ccc(-c6nnc(-c7ccc(-c8cc9ccccc9s8)s7)o6)cc5)o4)s3)cc2c1
|
CS(C)=O
| 344
|
fluodb
|
CC1(C)c2ccccc2N(c2cc3c4ccccc4n4c5ccccc5c(c2)c34)c2ccccc21
|
C1CCOC1
| 368
|
fluodb
|
CCc1c(C)c2n(c1C)[B-]1(c3ccc(OC)cc3)Oc3ccccc3C3=[N+]1C(=C2)c1ccccc13
|
ClCCl
| 627
|
fluodb
|
C1=C2B(Nc3ccccc31)c1sccc1C(c1ccccc1)=C2c1ccccc1
|
ClCCl
| 382
|
fluodb
|
N#Cc1cc2ccccc2oc1=O
|
ClC(Cl)Cl
| 340
|
fluodb
|
N#Cc1ccc(C[C@H](N)C(=O)O)cc1
|
C1CCOC1
| 237
|
fluodb
|
Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1
|
ClCCl
| 358
|
fluodb
|
c1ccc(N(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
|
CC#N
| 333
|
fluodb
|
CCCCCCCCN1C(=O)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3c4c(cc(-c5ccc(C=C(C#N)C(=O)O)s5)c(c24)C1=O)C(=O)N(CCCCCCCC)C3=O
|
ClC(Cl)Cl
| 533
|
fluodb
|
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-n3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc6c(c5)C5CCCC5N6c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc43)cc2)cc1
|
ClCCl
| 544
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(c1ccccc1OCc1ccccc1[N+](=O)[O-])c1c(C)cc(C)n1[B-]2(F)F
|
CC(C)=O
| 501
|
fluodb
|
C/C(=C\c1ccc2n1[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C)NC(C)C
|
Cc1ccccc1
| 585
|
fluodb
|
N#CC(=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccc(C=C(C#N)C(=O)O)s4)cc3)cc2)s1)C(=O)O
|
CCO
| 468
|
fluodb
|
CC1=CC(C)=[N+]2C1=C(C=O)c1c(C)cc(C)n1[B-]2(F)F
|
CS(C)=O
| 512
|
fluodb
|
CCCCCCc1cc2c3c(c1)c(=C(c1ccccc1)c1ccccc1)c1cc(CCCCCC)cc4c1-n-3-c1c(cc(CCCCCC)cc1c4=C(c1ccccc1)c1ccccc1)c2=C(c1ccccc1)c1ccccc1
|
ClCCl
| 405
|
fluodb
|
COc1ccc(-n2nc(C#N)c(N3CCCC3)n2)cc1OC
|
CC#N
| 344
|
fluodb
|
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21
|
CC#N
| 302
|
fluodb
|
N#C/C(=C\c1cc2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2s1)C(=O)O
|
ClC(Cl)Cl
| 493
|
fluodb
|
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
|
CO
| 334
|
fluodb
|
O=C(O)CCCCCN=C(O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C4=S=CC=C4)C=CC2=C3)cc1
|
CO
| 625
|
fluodb
|
CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc23)S1
|
CN(C)C=O
| 447
|
fluodb
|
CCc1c(C)[nH]c(C2=[N+]3C(=C(C)c4c(C)c(CC)c(C)n4[B-]3(F)F)c3ccccc32)c1C
|
CO
| 613
|
fluodb
|
Cc1cc(C)c(C2=C3C=C([Si](C)(C)[Si](C)(C)C)C=[N+]3[B-](F)(F)n3cc([Si](C)(C)[Si](C)(C)C)cc32)c(C)c1
|
Cc1ccccc1
| 532
|
fluodb
|
F[B-]1(F)n2cccc2C(NCc2ccco2)=C2C=CC=[N+]21
|
OC(F)(F)CF
| 403.5
|
fluodb
|
CCCCCCOc1ccc(-c2cc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc4c3n2-c2ccccc2S4)cc1
|
ClCCl
| 400
|
fluodb
|
CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccccc2-c2ccc(C(=O)O)cc2)c(=O)oc31
|
CC#N
| 407
|
fluodb
|
CCCN1C=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C1
|
CC(C)O
| 485
|
fluodb
|
CCN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC)C2=O)Sc2ccccc21
|
ClCCl
| 670
|
fluodb
|
CCOC(=O)/C=C/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C=C/C(=O)OCC)cn3[B-](F)(F)[N+]2=C1
|
ClCCl
| 633
|
fluodb
|
N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1O
|
CS(C)=O
| 414
|
fluodb
|
CCN(CC)c1ccc2c(-c3ccc(C)cc3)c3ccc(=[NH2+])cc-3[nH]c2c1
|
O
| 480
|
fluodb
|
CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)[O-])C(=O)N(CCCS(=O)(=O)[O-])C1=O)C=C2c1cc(S(=O)(=O)O)c(OC)cc1C
|
CCO
| 626
|
fluodb
|
COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(=N)[nH]c(N4CCCC4)c(C#N)c3n2)cc1
|
ClC(Cl)Cl
| 420
|
fluodb
|
O=C1C(=CC=CC=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=O)c2ccccc21
|
ClCCl
| 599
|
fluodb
|
c1ccc(-n2c3ccccc3c3cc(-c4ccn5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc5c4)ccc32)cc1
|
C1CCOC1
| 341
|
fluodb
|
O=C(O)/C=C/c1ccc2c(c1)c1ccccc1n2-c1ccccc1
|
CC#N
| 396
|
fluodb
|
CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1
|
CCCCO
| 425
|
fluodb
|
CCCCCCCCc1ccc(-c2nc3c(-c4ccc(/C=C(/C#N)C(=O)O)cc4)sc(-c4cc(CCCCCCCC)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c3nc2-c2ccc(CCCCCCCC)s2)s1
|
ClCCl
| 605
|
fluodb
|
COc1ccc(Nc2ccc3n2[B-](F)(F)n2cccc2C3=C2C=CC(=[O+]C)C=C2)c(C)c1
|
C1CCOC1
| 501
|
fluodb
|
Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1
|
CC#N
| 353
|
fluodb
|
N#Cc1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1
|
ClC(Cl)Cl
| 343
|
fluodb
|
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