Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CC1NC(=O)NC(c2ccc(Cl)cc2)C=1C(=O)OCC(F)(F)F
MolClass #152339
MTVLOCRKEGREHG-UHFFFAOYSA-N
- COc1ccccc1NCN1C(=O)SC(=Cc2ccccc2Cl)C1=O
MolClass #152340
CJKUGLHRPLKUNW-UHFFFAOYSA-N
- COc1ccc(Cl)cc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
MolClass #152341
HRSOVAQHWSPZBY-UHFFFAOYSA-N
- Cc1cccc(c1)C(=O)NNC(=O)COc1ccccc1C
MolClass #152342
GEXMWPORNATIOE-UHFFFAOYSA-N
- Cc1ccccc1OCC(=O)NNC(=O)Nc1ccccc1
MolClass #152343
UZCXPSXBULOEKW-UHFFFAOYSA-N
- Cc1ccc2OC(O)(CC(=O)c2c1)C(F)(F)C(F)F
MolClass #152344
IXEQTHCVACLUNU-UHFFFAOYSA-N
- NC(=CC(=O)c1cc(Cl)ccc1O)C(Cl)(Cl)Cl
MolClass #152345
VKHQIJDIKYMENF-UHFFFAOYSA-N
- CCn1c2ccccc2nc1C(O)(c1ccccc1)c1ccccc1
MolClass #152346
MXXLOVSZWRZIFC-UHFFFAOYSA-N
- COCCCNC(=O)C=Cc1ccc(Cl)cc1
MolClass #152347
OYGDEJQRFIXJSA-UHFFFAOYSA-N
- O=C1OC(=Nc2sc3CCCc3c12)c1occc1
MolClass #152348
IKFYXJIKWKRNCL-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(NCCCNC(=O)c2ccc(F)cc2)cc1
MolClass #152349
RMXCDUUORYKQIZ-UHFFFAOYSA-N
- COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1)C(C)C
MolClass #152350
GTCVSTGAINBYJB-UHFFFAOYSA-N
- Cc1cccc(C)c1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
MolClass #152351
LXFAXOOIJYBPIP-UHFFFAOYSA-N
- CCCC(N1C(=S)SC(=Cc2ccc(Cl)cc2Cl)C1=O)C(O)=O
MolClass #152352
GVWMZTLFUNPRTG-UHFFFAOYSA-N
- Brc1ccc(cc1)c1oc(cc1)C=NNC(=O)c1ccccn1
MolClass #152353
BXORMGAIIASWBL-UHFFFAOYSA-N
- CCc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
MolClass #152354
SGGQMEBGVWBSFW-UHFFFAOYSA-N
- Cc1ccccc1C=C1SC(=O)N(C1=O)c1ccccc1
MolClass #152355
FJQGTSHZUROGPX-UHFFFAOYSA-N
- Clc1cccc(C=C2SC(=O)NC2=O)c1Cl
MolClass #152356
WXFJSGIVYLSHAV-UHFFFAOYSA-N
- CN(C(C)=O)c1c(=O)c2ccccc2c(=O)c1N1CCCCC1
MolClass #152357
FYIHPOWCBOTWCT-UHFFFAOYSA-N
- CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1
MolClass #152358
GBZQBXHTCXZNSS-UHFFFAOYSA-N
- CC1NC2CCCC(=O)C=2C(c2ccc(Br)cc2)C=1C(=O)OC1CCCC1
MolClass #152359
IZADALXAYWOWCY-UHFFFAOYSA-N
- CCOc1cc(ccc1O)C=C1SC(=S)N(NC(=O)c2ccccc2)C1=O
MolClass #152360
LENPUVBYYKKUIH-UHFFFAOYSA-N
- Cc1cc(OCC(=O)NNC(=O)c2sccc2)cc(C)c1Cl
MolClass #152361
NWOZLWOCZFAQIF-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)NN=CCCc2ccccc2)cc1
MolClass #152362
NGZCIDRBJHNKPC-UHFFFAOYSA-N
- Clc1ccccc1c1oc(cc1)C=NNC(=O)c1ccccn1
MolClass #152363
PYIPHRIXTSWALS-UHFFFAOYSA-N
- Cc1ccc(cc1)N=Cc1ccccc1NS(=O)(=O)c1ccc(C)cc1
MolClass #152364
PTBJBEMSRKEAPH-UHFFFAOYSA-N
- COc1ccccc1NCN1C(=O)SC(=CC=Cc2ccccc2)C1=O
MolClass #152365
ADYYYOSHWZZGGK-UHFFFAOYSA-N
- Fc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
MolClass #152366
ATJRLQAMNWXNJH-UHFFFAOYSA-N
- [O-][N+](=O)CC(c1ccc2OCOc2c1)C1(C(=O)c2ccccc2C1=O)c1ccccc1
MolClass #152367
BMIHEQNPPNUPGK-UHFFFAOYSA-N
- O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1
MolClass #152368
YATSBBBWCRMTDG-UHFFFAOYSA-N
- Cc1cc(OCC(=O)NNC(=O)C(C)(C)C)cc(C)c1Cl
MolClass #152369
HYFVZAMFUQXEMX-UHFFFAOYSA-N
- COc1ccc(cc1NC(=O)c1sccc1)C(=O)Nc1ccccc1
MolClass #152370
JCOJRVAWPBFHJH-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(C=CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
MolClass #152371
PQFPFECZJVYLBX-UHFFFAOYSA-N
- CCOC1=C(C)C(Oc2ccccc21)c1ccccc1
MolClass #152372
JEAUVIISCKLPKN-UHFFFAOYSA-N
- Oc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1
MolClass #152373
NXSONABIEADQDJ-UHFFFAOYSA-N
- COC(=O)CSC1=Nc2ccccc2C(=O)N1c1ccccc1
MolClass #152374
QBKFJJSNKWKRRJ-UHFFFAOYSA-N
- COc1ccc2CCC3C(NC(=S)NC=3c2c1)c1ccccc1F
MolClass #152375
LGYWVRDGOVFKGS-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(NCN2C(=O)SC(=Cc3ccccc3Cl)C2=O)c1
MolClass #152376
FVFBDVDMYYVSQS-UHFFFAOYSA-N
- CC(n1c(=O)c2ccccc2c1=O)C(=O)Nc1cc(C)cc(C)c1
MolClass #152377
UGPJXIBBLHQGHT-UHFFFAOYSA-N
- CC1NC2CC(C)(C)CC(=O)C=2C(c2ccncc2)C=1C(=O)OC1CCCC1
MolClass #152378
WOLIPBJXTIJDID-UHFFFAOYSA-N
- Clc1ccccc1CC1SC(NC1=O)=Nc1ccccc1
MolClass #152379
RSAJGEYVHZOYDY-UHFFFAOYSA-N
- CC1=CC(C)(C)N(C(=O)Cn2c(=O)c3ccccc3c2=O)c2ccccc12
MolClass #152380
WKXGGFCOIKORMM-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
MolClass #152381
DDQUFGLZFPCEFY-UHFFFAOYSA-N
- Brc1ccccc1OCC(=O)NN=Cc1ccccc1Br
MolClass #152382
UNYSPQSLQXELHR-UHFFFAOYSA-N
- Cc1cc(Cl)ccc1OCC(=O)NCc1ccccc1
MolClass #152383
MGWBLPPEYBBBRU-UHFFFAOYSA-N
- COC(=O)c1ccc(NCN2C(=O)SC(=Cc3ccccc3F)C2=O)cc1
MolClass #152384
RYVJBEYHVKQYQL-UHFFFAOYSA-N
- CC(C)Oc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCC(F)(F)F
MolClass #152385
ORXSIJWKKUIEOV-UHFFFAOYSA-N
- COc1ccc(cc1)C1C(=C(C)NC2CCCC(=O)C1=2)C(=O)OCc1ccccc1
MolClass #152386
IUUQICVZNYYMIA-UHFFFAOYSA-N
- CCC(C)=NNC(=O)C(C)Sc1ccccc1
MolClass #152387
NKZXUUSDVCHXJX-UHFFFAOYSA-N
- COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
MolClass #152388
OOFNBDZVOOWLDB-UHFFFAOYSA-N
- FC(F)(F)c1ccccc1N1C(=O)CC(Nc2ccc(cc2)N2CCOCC2)C1=O
MolClass #152389
QVURHNHXWQUAMB-UHFFFAOYSA-N
- Cc1occc1C(=O)NN=C(C)c1ccccn1
MolClass #152390
OGFCQTWCOCKSOE-UHFFFAOYSA-N
- Clc1cccc(OCC(=O)NN=Cc2cccc3ccccc32)c1
MolClass #152391
ROUPLPZRKUQIMG-UHFFFAOYSA-N
- COc1ccc(cc1)N=Cc1cc(I)cc(I)c1OC
MolClass #152392
NITIWVOUSYOOTD-UHFFFAOYSA-N
- Brc1ccc(OCC(=O)NN=Cc2cccnc2)cc1
MolClass #152393
YKVDVHANVYVFCX-UHFFFAOYSA-N
- Cc1ccc(NCN2C(=O)SC(=CC=Cc3ccccc3)C2=O)cc1
MolClass #152394
QXLRMJQVNQLTPB-UHFFFAOYSA-N
- COc1cc(Cl)ccc1NC(=O)C1=C(O)c2ccccc2N(CC=C)C1=O
MolClass #152395
KEWYNQFNICAEHG-UHFFFAOYSA-N
- CCCOC(=O)C1C(NC(=O)NC=1C)c1cc2OCOc2cc1Br
MolClass #152396
VSHNGTSABVWOTR-UHFFFAOYSA-N
- COc1ccc(OC)c(NC(=S)Nc2ccccc2)c1
MolClass #152397
DYIPNXQBWVUFEX-UHFFFAOYSA-N
- Cc1cc(C)n(n1)c1cc(C)c2ccccc2n1
MolClass #152398
KKPBXAJPJDFRRM-UHFFFAOYSA-N
- Clc1ccccc1N1C(=O)CSC1=NC(=O)c1ccccc1
MolClass #152399
OTHWTCCOPJDHAU-UHFFFAOYSA-N
- OC(C(=O)NN=Cc1cc(O)c(Br)cc1Br)c1ccccc1
MolClass #152400
SFGCHGPSWQQDRA-UHFFFAOYSA-N
- Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1
MolClass #152401
UFZSULMSCDXVDT-UHFFFAOYSA-N
- FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CN3C(=O)CCC3=O)c2c1
MolClass #152402
QLDVHKRDRZKZQQ-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1C=Nc1ccc2n(cnc2c1)c1ccc(C)cc1
MolClass #152403
YMNFRJBHCAQSOJ-UHFFFAOYSA-N
- CSc1nc2cc(C)ccc2n1C
MolClass #152404
IRGIZPUPSWFOCF-UHFFFAOYSA-N
- Fc1ccccc1NC(=S)NC(=O)c1ccccc1
MolClass #152405
FJMNYNZDRMVVGH-UHFFFAOYSA-N
- CC(Sc1nc(C)cc(C)n1)C(=O)NN=Cc1ccc(OC2CSC2)cc1
MolClass #152406
IEVPUMRXKJKZLC-UHFFFAOYSA-N
- FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2)cc1
MolClass #152407
JCTUPGHJPIIZOK-UHFFFAOYSA-N
- Ic1ccccc1NC=c1nc(oc1=O)c1ccccc1
MolClass #152408
XSKNEJVVFQMNPU-UHFFFAOYSA-N
- Cn1c2ccccc2nc1C(C)=NNc1ccc(cc1)C(O)=O
MolClass #152409
OUTUVHKPTSVOEZ-UHFFFAOYSA-N
- Cc1nc2SC=Cn2c1C(=O)NN=Cc1cccc2ccccc21
MolClass #152410
BAHDODVBCWHXND-UHFFFAOYSA-N
- Cn1c(CNc2cccc(C)c2)nc2ccccc12
MolClass #152411
YBRFBWIXMFNIFY-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc2n(cnc2c1)c1ccccc1
MolClass #152412
YXIZJJZDLDWOFR-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(NCN2C(=S)SC(=Cc3ccccc3F)C2=O)c1
MolClass #152413
PWQGZAKTLNCZMS-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)C=Cc1occc1
MolClass #152414
WHXVZPQFWIDOMI-UHFFFAOYSA-N
- CC(C)C(=O)NC(=S)Nc1ccccc1Cl
MolClass #152415
WQHYLIJMHBPXDF-UHFFFAOYSA-N
- COc1cc(OC)c(NC(=O)c2sccc2)cc1Cl
MolClass #152416
JDRIZMAQPSCKBR-UHFFFAOYSA-N
- CCCCN1c2ccccc2n2c1nc(C)c2C(C)=O
MolClass #152417
OAPKXEKJEVWREP-UHFFFAOYSA-N
- Cc1cccc(c1)c1oc(nn1)c1ccc(Br)cc1
MolClass #152418
IYWDDNPHOZFWFW-UHFFFAOYSA-N
- CC(=O)c1cc(sc1Nc1ccc(C)cc1)C(=O)c1ccccc1
MolClass #152419
VICIILCGHNTVTC-UHFFFAOYSA-N
- CCOC(=O)C1CC(O)(N(N=1)C(=O)c1cccc(OC)c1)C(C)(C)C
MolClass #152420
GWNMOHNDSLXMQY-UHFFFAOYSA-N
- COc1ccc2n(C)c(SCC(=O)C(C)(C)C)nc2c1
MolClass #152421
VGIUEAVXLPQMSX-UHFFFAOYSA-N
- Cn1c(CNc2ccc(Cl)cc2)nc2ccccc12
MolClass #152422
AITINQVEJBXDAD-UHFFFAOYSA-N
- Cc1cc(C)nc(SCC(=O)NN=Cc2cccc(c2)C(F)(F)F)n1
MolClass #152423
UUWHRTNJZLAAMY-UHFFFAOYSA-N
- COC(=O)c1c(N)scc1c1ccc(Br)cc1
MolClass #152424
FTCYGPXJXBDSIU-UHFFFAOYSA-N
- O=C1NC(=O)C(=CNC2CCCCC2)C(=O)N1
MolClass #152425
GFPIQZBNRHCDPV-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1I
MolClass #152426
IPFQFCPJNNXZTJ-UHFFFAOYSA-N
- Clc1cccc(NCCC(=O)c2occc2)c1
MolClass #152427
DJPRWCZFMGHZRR-UHFFFAOYSA-N
- Clc1ccccc1CNC=C1C(=O)CC(CC1=O)c1ccccc1
MolClass #152428
KCEHUOWQQQLHLA-UHFFFAOYSA-N
- COc1ccc(cc1)n1cnc2ccccc12
MolClass #152429
KLXBTJMLKGVJTR-UHFFFAOYSA-N
- Cn1c(Cc2ccccc2)nc2ccccc12
MolClass #152430
BAXXIBXLWXEPGF-UHFFFAOYSA-N
- Cn1c(C)nc2cc(ccc12)N=Cc1c(O)ccc2ccccc21
MolClass #152431
RCFGPKDUWWBSLL-UHFFFAOYSA-N
- Clc1cccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1
MolClass #152432
YYQHBZPYYSOYHE-UHFFFAOYSA-N
- Cc1cc(ccc1Cl)C(=O)c1ccccc1C(O)=O
MolClass #152433
XNHZUUJHQSXXIJ-UHFFFAOYSA-N
- COC(=O)c1ccc(cc1)C1Nc2ccc3ccccc3c2C2CCCC(=O)C1=2
MolClass #152434
OVTMPSWIMRNODU-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(c1)C1SCCN1S(=O)(=O)c1ccccc1
MolClass #152435
GSNNFWZJCFMPQL-UHFFFAOYSA-N
- O=C1CC(CC(=O)C1=CNC1CCCCCC1)c1ccccc1
MolClass #152436
QXSCANMFBZEKMJ-UHFFFAOYSA-N
- COc1ccc(Cl)cc1NC(=O)Cn1nc(cc1C)C(F)(F)F
MolClass #152437
MKMWBFLKELMTTD-UHFFFAOYSA-N
- CCn1c(nc2ccccc12)C(O)c1ccccc1OC
MolClass #152438
FJWZIUOFMBGGPP-UHFFFAOYSA-N