smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
COCCC(C)NC(=O)C1(CN)CC1 | 300 |
CCCCCCC(=O)Nc1ncc([N+](=O)[O-])cc1C | 301 |
C#CCOC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 | 302 |
Cc1cccc(NC(=O)CSc2nnc3c4sc(N5CCCC5)nc4ncn23)c1C | 303 |
O=C([C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccccc2)C1)N1CCCC1 | 304 |
CCc1ccccc1CN1CCc2sccc2C1C(=O)O | 305 |
COCC(C)NCCCOc1ccc(F)cc1 | 306 |
O=C(NCCc1ccc(F)cc1)c1cc(N2CCCCC2)ncn1 | 307 |
CC(=O)N1CCC(Nc2cc(Cl)nc(N)n2)CC1 | 308 |
CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCNS(C)(=O)=O | 309 |
CSc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 | 310 |
CC(C)c1noc(CCC(=O)NC(CN)c2ccc3ccccc3c2)n1 | 311 |
O=C(C(Cl)c1ccc(Br)cc1F)N1CCCCC1 | 312 |
CN1CCN(NC(=O)N2CCCC2C(=O)O)CC1 | 313 |
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)OCCO2 | 314 |
CC(Cc1cnc(Cl)c(Cl)c1)C(=O)O | 315 |
COc1ccc(-c2nc(C(=O)N3CCCC3c3ccc4c(c3)OCCCO4)cs2)cc1 | 316 |
Cc1nn(CC(=O)N2CCCC(c3nccn3C)C2)c(=O)c2ccccc12 | 317 |
CCC(C(=O)c1ccc(O)cc1)c1ccccc1 | 318 |
COCCC(=O)c1cnccc1C | 319 |
CC1(C)C(N)C(C)(C)C1NS(=O)(=O)CC#N | 320 |
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNS(=O)(=O)c1ccc(C)cc1 | 321 |
CCN(CC1CCN(C(=O)c2cccc(C)c2C)CC1)C(=O)OC(C)(C)C | 322 |
CC1(C)OCCNC1C1CCCCCC1 | 323 |
OCC(Nc1nsnc1Cl)c1ccccc1 | 324 |
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(F)c1F | 325 |
O=C(Nc1nc2cccnc2s1)C1(O)CCC1 | 326 |
CC(C)N1CCN(CCCC(=O)Nc2cc(Br)cn(C)c2=O)CC1 | 327 |
COC(=O)c1cc(C#N)cc(C)c1CN | 328 |
CC(C)c1ccc(C(=O)N(Cc2ccco2)C(C)C(C)C)c(=O)n1C | 329 |
O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCCc2ccccc21 | 330 |
CCCCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 | 331 |
Cc1sc(-c2ccccn2)nc1-c1ccc2c(c1)N(C(C)C(=O)Nc1ccc(F)cc1)C(=O)C(C)O2 | 332 |
COc1ccc(SCC(C)C)cc1N | 333 |
CCc1c(N)nnn1Cc1noc(C)n1 | 334 |
CC(CN1CCOCC1)NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 | 335 |
CCCC(N)c1ncc(-c2cnn(C)c2)[nH]1 | 336 |
CCC(OC1CCCC1)C(=O)N1CC(N)Cc2ccccc21 | 337 |
CC(Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1cccc(Cl)c1 | 338 |
O=c1c2c3c(sc2nc(SCc2nnc(-c4ccccc4Cl)o2)n1Cc1ccco1)CCC3 | 339 |
CC(=O)N(Cc1ccc(NC(=O)C(=O)NC(CCO)c2ccccc2)cc1)C1CC1 | 340 |
Cc1ccc(C(=O)NC(C)c2ncon2)cc1Br | 341 |
CCc1cccc(OCC(=O)N2CCC(NC(=O)COc3c(C)cccc3C)CC2)c1 | 342 |
CCC(CNC)Oc1cccc(C(C)(C)C)c1 | 343 |
Cn1cc(CC2CN(C(=O)C(O)c3ccc(Cl)cc3F)C2)cn1 | 344 |
O=C(CSc1nc2ccccc2o1)NNc1c(F)c(F)c(F)c(F)c1F | 345 |
CN(C)C(=O)CNC(=O)C1COCCN1 | 346 |
CC(C)N(CCCCl)c1nccn2nccc12 | 347 |
Cc1csc(NC(=O)C(C)Sc2nnc(COc3c(C)cccc3C)n2C(C)C)n1 | 348 |
Cc1nc(CN2CCN(S(=O)(=O)N3CCC(C)C3)CC2)no1 | 349 |
Cc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1S(=O)(=O)N1CCCCC1 | 350 |
CC(NC(N)=O)C12CC3CC(CC(C3)C1)C2 | 351 |
Cc1nn(CC(=O)NC2CCCCc3cc(Br)ccc32)c(=O)o1 | 352 |
COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)C1c1cccc(OCc2ccccc2)c1 | 353 |
O=S(=O)(c1cccc2scnc12)N1CCC2(CC1)COCCO2 | 354 |
CCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc(OCC)c1OCC | 355 |
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCS(=O)(=O)N1CCSCC1 | 356 |
CC(C)(C)c1cc(NCc2ncccn2)nc(C(C)(C)C)n1 | 357 |
CNC(CSCCO)c1ccc2ccccc2c1 | 358 |
CCNC(Cc1cc(OC)ncn1)c1cccs1 | 359 |
COCCc1ccc(OCC2CCNCC2)cc1 | 360 |
Cc1cccnc1NC(N)=O | 361 |
COc1cc(OC)c(CNC[C@H]2CC[C@@H](c3ncn[nH]3)O2)cc1F | 362 |
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CC3)C2=O)cc1 | 363 |
O=C(Nc1ccc2scnc2c1)c1ocnc1-c1ccccc1 | 364 |
CNC(=O)CCNC(=O)CCC1CCCC(N)C1 | 365 |
Cc1cc2c(cc1NC(=O)N1CCNC(=O)C1C)sc(=O)n2C | 366 |
CC(C)N1CCCC(C(=O)N2C[C@@H]3CCCC[C@@H]32)C1 | 367 |
CCOC1CC(CCNC(=O)c2ccc(C(=O)O)o2)C1 | 368 |
CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 | 369 |
CN1CCC2(CCC(NC(=O)c3cc(C4CC4)ccn3)CC2)CC1 | 370 |
O=C(Cc1cccc(F)c1F)C1CCOC1 | 371 |
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 | 372 |
CCS(=O)(=O)N(C)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 | 373 |
Cc1nc(Nc2ccc(Br)cc2)cc(C(=O)Nc2ccccc2)n1 | 374 |
COc1cccc(C(N)c2ncc(Cl)cc2Cl)c1 | 375 |
Fc1cccc(CN[C@@H]2CCC[C@H]2F)c1 | 376 |
Nc1ccc(C2(O)CCOCC2)cc1 | 377 |
COc1cnc2ccccc2c1C(=O)Nc1cccc(NC(C)=O)c1 | 378 |
CCOc1cc(C#N)c(CCl)cc1C(=O)OC | 379 |
COc1ccc(-n2nnnc2CNS(=O)(=O)N(C)C)cc1 | 380 |
O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 381 |
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccc(OC)c(OC)c1 | 382 |
N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C12C(=O)Nc1ccccc12 | 383 |
O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1F | 384 |
COc1ccccc1OCC(=O)Nc1ccc(NCc2cccc(C)c2)nn1 | 385 |
O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)cc2)cc1 | 386 |
CCn1c(=O)c2cc(C(=O)Nc3ccccc3OC)sc2c2ccccc21 | 387 |
Cc1n[nH]c(C)c1C1COCCN1C(=O)CCSc1nnnn1C | 388 |
CN1CCC(N(C)C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccco3)C2=O)CC1 | 389 |
CCCOc1ccccc1/C=N\n1c(S)nnc(C(C)(C)C)c1=O | 390 |
O=C(Nc1nccs1)c1ccc2nc(C(F)(F)F)sc2c1 | 391 |
O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(F)cc1F | 392 |
CCCOc1ccccc1/C=C/C(=O)Nc1ccc(O)c(C(=O)O)c1 | 393 |
CC1CC(N2CCC(C)(CN)C2)C1 | 394 |
Cc1cccc(CC(CNC(=O)COc2cccc(C)c2)C(=O)O)c1 | 395 |
O=C(Cc1c[nH]c2ccccc12)NCCc1nc2c(s1)CCC2 | 396 |
O=c1ccn(Cc2ccc(C#CCO)s2)c(=O)[nH]1 | 397 |
CCc1cccc(OCC(=O)Nc2cc(C(=O)OC)ccc2Cl)c1 | 398 |
Cn1cnnc1Sc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] | 399 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.