product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
COc1cc2CC3(C(=CC(=O)CC3)c2cc1)C | 339 |
c1c(c(c2c(c1)C3=CC(=O)CCC3(CCCC)C2)C)OC | 339 |
CC1(C)CC2(CC1)CNC(=O)C2 | 340 |
O=S(=O)(c1ccc(c(Cl)c1C=2CC(ON=2)C)C(=O)OC)C | 341 |
c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)C=4CC(ON=4)C(OC)OC | 342 |
c1ccccc1C(c2ccccc2)C3OC3 | 343 |
CC1(C)OB(OC1(C)C)c2ccc(cc2)NC(C3=C(N(CC(C)(C)O)N(c4ccccc4)C3=O)C)=O | 344 |
c1ccccc1N2N(C(=C(C(Nc3cc(F)c(O)cc3Cl)=O)C2=O)C)C | 345 |
COc1ccc(CCBr)c([N+]([O-])=O)c1 | 346 |
C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O | 347 |
C(C)N(CC)C(c1ccc(cc1)C(CCBr)c2cccc(OC)c2)=O | 348 |
n1c(c2c(nc1NCc3ccc(c(Cl)c3)Cl)ncn2CCCCBr)O | 349 |
C(CCCCCCCCCCCCBr)CCCCOC(C)=O | 350 |
O=S1(=O)CCC(CC1)CCBr | 351 |
CC(C)(n1ncc(c1)-c2ncnc3c2cc[nH]3)CCC#N | 352 |
CC1(C)C(Cl)(Cl)C1CC#N | 352 |
C[Si](C)(C)CCOC(C(CC)c1c(I)cccc1)=O | 353 |
CC(C)(C)OC(=O)NC1CCC(CC1)Nc2ncnc3sc4CCC(CC(CC)O)c4c23 | 354 |
CC(C)C(c1cc(C)ccc1OC)CCC(N)=O | 355 |
CC(C)(C)[Si](C)(C)OC1C(C(c2cnccc2)OC1)CCC(=O)OC | 356 |
C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C | 357 |
C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC | 357 |
C(CCCCCCCC(OC)=O)CCCCCCCCC(CC)C | 358 |
C(CCc1c(OC)c(cc(C(=O)OC)c1)OC)CCC | 358 |
CC(C)(CC=C)CCO | 359 |
c1cc(ccc1S(=O)(=O)n2c3ccc(cc3c(C4C(CCO)C4)c2)C#N)C | 360 |
c1ccccc1-c2ccc(cc2)CCCCCO | 361 |
c1cc(ccc1C2CCC(CC2)C(=O)OC)CCC3CCC(CC3)CCC | 362 |
c1cc(ccc1Cl)-c2c(ncc(C(=O)NC3CCCCC3O)c2)CCCOC | 363 |
C12CC3CC(C1)CC(C2)(C3)CNC(=O)c4c(Cl)cnc(CCCO)c4 | 364 |
c1ccc(CCC)cc1OCOC | 365 |
c1nn(c2c1C(CCCl)CCC2)-c3cc(c(cc3)Cl)Cl | 366 |
c1ccccc1OCCCCC(CCl)C | 367 |
c1ccccc1OCCCCC(CCl)C | 368 |
C(OC(=O)CCOCCCl)C | 369 |
CC(C)(C)OC(Nc1ccc(CCI)nc1)=O | 370 |
FC(F)(CI)c1ncc(cc1)C | 370 |
FC(F)(F)CCC(c1cccc(c1)Cl)CI | 371 |
C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O | 372 |
C(OC)(=O)C1C=CCN2N1C(C(CCI)(C2=O)C)=O | 373 |
ICC(COCCCCCCCC)OCCCCCCCC | 373 |
CC(C)(C)[Si](C)(C)OC(Cc1cc(-c2ccccc2)ccc1)CCC3CCC(N3CCCc4ccc(cc4)C(=O)OC)=O | 374 |
CC(C)(C)OC(N(C1CCN(CC1)C(OCc2ccccc2)=O)CCNC(OC(C)(C)C)=O)=O | 375 |
CC(C)(C)OC(N(C1CCN(CC1)Cc2ccccc2)CCP(OCC)(OCC)=O)=O | 376 |
C1CCCCN1CCCN(CC(OC)OC)C(C(C)Nc2ccc(Cl)c(c2)Cl)=O | 377 |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(Cc2ccc(cc2)Cl)CCN(CC)CC | 378 |
C1CN(CCN1CCOc2c(cc3c(c(Nc4cc(ccc4)Br)ncn3)c2)OC)CC(=O)OCC | 379 |
c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O | 380 |
c1cc(ccc1C)NC(CC2(NC(Nc3cccc(c3)OC)=O)C(N(c4ccccc24)CCN(C)C)=O)=O | 381 |
C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC | 382 |
C1CN(CCN1c2ccccn2)CC3CCCC4(OCCO4)C3 | 383 |
c1cc(ccc1C#N)-c2nnn(Cc3cc(C(=O)Nc4sc5CC(CCc5n4)N(CCOC)C)ccc3)c2 | 384 |
C1CC(CCC1N(CCCOc2c(Cl)cc(c(c2)OC)CO)C)OC(C(c3cccs3)(c4cccs4)O)=O | 385 |
C1N(CC1(O)c2cc(cc(F)c2)Cl)CC | 386 |
C1CCCN1c2c3c4ccccc4n(c3nc(N5CCCC5)n2)CCN6CCCCC6 | 387 |
C1CN(CCO1)CCCCn2cnc3nc(NCc4ccc(c(Cl)c4)Cl)nc(O)c23 | 387 |
CC(C)(C)OC(NC(Cc1cnccc1)CN2CCC(CC2)C(c3ccc(cc3)F)=O)=O | 387 |
CC(C)(C)OC(NCC(CN1CCC(CC1)Oc2ccc(cc2)F)NC(OCc3ccccc3)=O)=O | 387 |
c1ccccc1COC(NCC2CCCN(C2)CCN3C(=O)C=Nc4ccc(nc34)OC)=O | 388 |
CC(C)(C)OC(NC(C(NC1C(O)CN(CCC)C(CC1)C)=O)CC2CCCCC2)=O | 389 |
FC(F)(F)c1ccc(cc1)C23CN(CCCN4C=C(C(=O)NC4=O)c5c(F)nc(C)cc5)CC2C3 | 390 |
C1CCCN(CC1)CCC2CCCc3n(ncc23)-c4ccccc4 | 391 |
CC(C)(C)[Si](C)(C)OCc1cccc(n1)CCCN2CCOCC2 | 391 |
CC(C)(Sc1cc2sc(N)nc2cc1)CN3CCCC3 | 391 |
C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F | 392 |
c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3 | 393 |
c1cc(ccc1S(=O)(=O)n2c(cc3c2nccc3)-c4c5c(n(c4)CCN6CCOCC6)cc(c(OC)n5)OC)C | 394 |
C1C(CN1CC2Oc3c4ccc(C)nc4ccc3OC2)Cc5cn(c6c5cc(F)cc6)C | 395 |
C1CC(CCN1CCC2CCC(CC2)NC(=O)C)C(=O)c3ccc(F)s3 | 395 |
C1CCCN1CC2(CCN(CC2)c3ncnc4nc[nH]c34)c5cccc(-c6cnn(C)c6)c5 | 395 |
C1CN(CCN1CC(OC)c2ccc3c(c2C)COC3=O)CCc4ccc(C#N)c(c4)OC | 395 |
C1CN(CCN1CCc2c(cccc2)[N+]([O-])=O)c3nsc4c3cccc4 | 395 |
C1CN(CCN1CCc2cc3c(C(=O)OC3)cc2)CCc4c(cc(C#N)c(OC)c4)F | 395 |
C1CNCCN1CCOc2c(cc(F)cc2)F | 395 |
C1COCCN1CCc2sc3c(c2)c(N)nc(-c4cccc(C#N)c4)n3 | 395 |
CC(C)(C)OC(N1CCN(CC1)CCCCc2cn(c3c(nc(CCCC)nc23)N)COCc4ccccc4)=O | 395 |
CC1(C)Oc2c(c(CCN3CCC(CC3)C(=O)OCC)ccc2)CO1 | 395 |
CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O | 395 |
CN(C)CCCn1c2c(ccc(-c3c(nn4CCCc34)-c5nc(ccc5)C)c2)nc1 | 395 |
CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1 | 395 |
FC(F)(F)C1c2c(ncnc2NC(C1)=O)N3CCC(CC3)c4nc(CC(F)(F)F)cn4CCN5CCC5 | 395 |
FC(F)(F)c1ccc(cc1)-c2sc(COc3ccc(c(OC)c3)C=4NOC(=O)N=4)c(n2)CCCN5CCC5 | 395 |
c12c(OC(CO1)CN3CC(Cc4c[nH]c5cc(F)ccc45)CCC3)c6c(nc(cc6)C)cc2 | 395 |
c1cc(ccc1)C2=CN(C(c3ccccc23)=O)CCCN4CCCCC4 | 395 |
c1cc(ccc1)C2CCN(CC2)CCC3c4cnn(-c5cc(c(cc5)Cl)Cl)c4CCC3 | 395 |
c1cc(ccc1)CN2CC3CCC(C2)C3N(C)CCCC(c4ccc(cc4)C#N)Oc5ccc(c(OC)c5)OC | 395 |
c1cc(ccc1OCc2ccccn2)-c3nc(CCN4CCCC4)c(C)o3 | 395 |
CN(C)CCc1cc(Nc2ncc3C(N(C(N(c3n2)c4cccc(C#N)c4)=O)c5ccc(cc5)OC)C)ccc1 | 396 |
CC1(C)c2sc(Br)cc2C(N1CCN3CCOCC4(CC4)C3)=O | 397 |
c1cc(ccc1)C(C)(CN(C)S(=O)(=O)c2ccccc2)CC=C(C)C | 398 |
FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O | 399 |
FC(F)(F)c1cc(c(cc1)N(CC)CC2CCC(CC2)CC(=O)OCC)C=O | 400 |
c12c(cccc1)C(=O)N(C2=O)CCCCC=C | 401 |
c1ccc2c(c1)C(=O)N(C2=O)CC3CS(=O)(=O)N(C3)CC | 402 |
c12c(cccc1)C(=O)N(C2=O)CCCc3ccc(cc3)CCCCC | 403 |
FC(F)(F)COc1ccc(cc1N2CCNCC2)F | 404 |
CC(C)(C)OC(N(C(CCN1c2c(N(c3c(F)cccc3)S1(=O)=O)cccc2)c4ccccc4)C)=O | 405 |
c1c2c(CC(N(CCCNC(=O)Cc3cc(OC)c(OC)cc3[N+]([O-])=O)C)CC2)cc(c1)OC | 406 |
C1CCC(C1)C(=O)NCCn2c3CCN(Cc3c4cc(ccc24)C)C | 407 |
CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O | 408 |
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