Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CCCc1cnc(nc1)N1CCCN(CC1)C(=S)Nc1cccnc1
MolClass #154139
HTEJNVKXYIEMAW-UHFFFAOYSA-N
- COc1ccccc1C1CCN(CC1)c1ncnc2scc(c3ccccc3)c21
MolClass #154140
SHUOCEUWDNZWRK-UHFFFAOYSA-N
- COc1ccccc1NC(=O)N1CCCN(CC1)C(=O)c1sccc1
MolClass #154141
OKDXZRVLOSNVMM-UHFFFAOYSA-N
- CCc1cccc(C)c1NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
MolClass #154142
ZYSQSDPOGCHKPE-UHFFFAOYSA-N
- CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCN(CC1)Cc1ccccc1
MolClass #154143
LLWDCRUEZQRGCT-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1N1CCN(CCO)CC1)C(F)(F)F
MolClass #154144
CSQYNPKWTDSSNB-UHFFFAOYSA-N
- CCCCCc1ccc(cc1)C(=O)ON=Cc1c(Cl)cccc1Cl
MolClass #154145
NMVNGBONAKKXQG-UHFFFAOYSA-N
- COc1cccc(NC(=S)NCc2occc2)c1
MolClass #154146
LKCHYAMRNBVJOK-UHFFFAOYSA-N
- CCc1cc2c(cc1C(=O)CC1(O)C(=O)Nc3ccc(Br)cc31)C(C)(C)CCC2(C)C
MolClass #154147
WUZPCOHYASXWRO-UHFFFAOYSA-N
- COc1ccc(cc1)N=Cc1ccccc1O
MolClass #154148
CLPLWYCYULVJFH-UHFFFAOYSA-N
- Clc1cccc(NC(=S)NNC(=O)c2cccnc2)c1
MolClass #154149
NJYMISXXRRVNJZ-UHFFFAOYSA-N
- Clc1ccccc1C=NNC(=O)c1cccnc1
MolClass #154150
YJWAPOQYJZJMGO-UHFFFAOYSA-N
- Cc1cc2CSC(C)(SCc2cc1C)c1ccc(F)cc1
MolClass #154151
KKWTUPGSJNZZKU-UHFFFAOYSA-N
- COc1cc(cc(OC)c1OC)C1Nc2cccc3cccc(N1)c23
MolClass #154152
PPQSKZVLJQHWIG-UHFFFAOYSA-N
- COc1cccc(Nc2sc3ccccc3n2)c1
MolClass #154153
JCAWUKQDWALLIP-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)C(=O)N1C(C)CC(=O)Nc2ccccc12
MolClass #154154
LEKJMNNPWNFPBA-UHFFFAOYSA-N
- Brc1cccc(C=NCc2ccccc2)c1
MolClass #154155
BERMZNUWBAQSHR-UHFFFAOYSA-N
- COc1cc(N=Cc2ccc3OCOc3c2)c(OC)cc1Cl
MolClass #154156
WULUPRPIQJXLLC-UHFFFAOYSA-N
- Fc1ccc(cc1)N1C(SCC1=O)c1ccc(Cl)c(Cl)c1
MolClass #154157
OFOOYEPOQUIBTA-UHFFFAOYSA-N
- COc1ccc(cc1)c1nnc(S)n1c1cccc(OC)c1
MolClass #154158
AWULHWKZSSKFDX-UHFFFAOYSA-N
- CCCC(C)(SCC(O)=O)SCC(O)=O
MolClass #154159
CWAPEAHYJDCOPM-UHFFFAOYSA-N
- Cc1cccc2CCCN(C(=S)Nc3ccccc3Cl)c12
MolClass #154160
SPZONVFTRMLCCV-UHFFFAOYSA-N
- CN(C)c1ccc(C=NNC(=O)CCc2ccc(O)cc2)c(Cl)c1
MolClass #154161
SEZMEMNEWMAQAB-UHFFFAOYSA-N
- CC(=O)C1=Cc2cc(Br)ccc2OC1=O
MolClass #154162
XFQYOFLFNKCHLG-UHFFFAOYSA-N
- Cc1cc(O)c2cc(F)ccc2n1
MolClass #154163
BKXCHVFCJZJATJ-UHFFFAOYSA-N
- Cc1ccc(NS(C)(=O)=O)cc1N=Cc1ccc(Cl)c(Cl)c1
MolClass #154164
QYVSQTJDDPAMHB-UHFFFAOYSA-N
- COCCCNC(=S)Nc1ccc(C)cc1C
MolClass #154165
REKFYTNVZWKOMQ-UHFFFAOYSA-N
- Fc1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1
MolClass #154166
MPPKSGHRQXQDSK-UHFFFAOYSA-N
- CCOC(=O)CCc1cc(N=Cc2cc(Cl)cc(Cl)c2O)c(O)c(c1)N=Cc1cc(Cl)cc(Cl)c1O
MolClass #154167
OXYQYOCSRAZHKJ-UHFFFAOYSA-N
- CC(C)N(Cc1ccc(cc1)N(C)C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
MolClass #154168
OQTXJDSXPPNKMX-UHFFFAOYSA-N
- CCOC(=O)c1ccc(cc1)N1CC2CCCCN2C1c1ccc(Cl)c(Cl)c1
MolClass #154169
ZIDZJBQDJSOOQW-UHFFFAOYSA-N
- Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1
MolClass #154170
HFZKORRFMAOCRJ-UHFFFAOYSA-N
- COc1cccc(C2SCc3cc(C)c(C)cc3CS2)c1O
MolClass #154171
JDALJVHZWXZSOW-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C
MolClass #154172
LBAIGGSVFJQRSO-UHFFFAOYSA-N
- COc1cc(cc(OC)c1OC)C=C1SC(=S)NC1=O
MolClass #154173
DIAAFVBEJDBJAC-UHFFFAOYSA-N
- COc1cccc(c1)N=C1SC(=C)C(C)(C)N1C(=O)C(C1CCCC1)c1ccccc1
MolClass #154174
RAMYAZFESKGKCS-UHFFFAOYSA-N
- Cl.Cl.C1CCN(CC1)CCC1CCCCN1
MolClass #154175
XURAXQFIEZFIRB-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(C)cc1C1OC(N(N=1)C(C)=O)c1cc(OC)c(OC)c(OC)c1
MolClass #154176
ATOXKWCMYBAWAN-UHFFFAOYSA-N
- FC(F)(F)c1cc(NC(=O)C(C2CCCC2)c2ccccc2)cc(c1)C(F)(F)F
MolClass #154177
YIOMUNPXWROPOT-UHFFFAOYSA-N
- COc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC
MolClass #154178
YFYXLTNMCQBKPV-UHFFFAOYSA-N
- FC(F)(F)c1ccc(N2CCCCC2)c(NC=C(C#N)C#N)c1
MolClass #154179
UKJPYFPIYWLDEI-UHFFFAOYSA-N
- COc1ccc(CCNc2ccc(cc2N)C(F)(F)F)cc1OC
MolClass #154180
QIHHVWJSMOCJNJ-UHFFFAOYSA-N
- CCOC(=O)C1=CNc2c(F)cccc2C1=O
MolClass #154181
MPUYCZQHTGRPNE-UHFFFAOYSA-N
- CCC(C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1
MolClass #154182
LQIKMZRBUIIRTO-UHFFFAOYSA-N
- Cl.Cc1ccc(C)c(NC(=S)N(CCc2ccccc2)CCc2ccccn2)c1
MolClass #154183
SMQSQZHVZOISLS-UHFFFAOYSA-N
- [O-][N+](=O)c1sc(cc1)C1NC(=O)c2ccccc2N1C
MolClass #154184
DSEZEYASLFCOFQ-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)C1N(CCC2CCCCN21)Cc1ccccc1
MolClass #154185
CPSBVMNHKZOJSO-UHFFFAOYSA-N
- CCOC(=O)C(=CNNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OCC
MolClass #154186
RPFXQOSGKOTDRR-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(OC)c(SCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
MolClass #154187
PSFUHQHZKIBVSP-UHFFFAOYSA-N
- CCOC(=O)C(=CNNC(=O)c1ccccc1n1cccc1)C(=O)OCC
MolClass #154188
IFYVCJZSDSJFLJ-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(c(cc1N1CCCCC1)N1CCCCC1)C(F)(F)F
MolClass #154189
WKOVRIIMHHRCCU-UHFFFAOYSA-N
- Clc1ccc(cc1)c1noc(CCC(=O)NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1
MolClass #154190
FDAQAEHJSGKQAO-UHFFFAOYSA-N
- Cc1cccc(n1)N1C(=O)C2C3CC(C=C3)C2C1=O
MolClass #154191
AIFNWZHPCZBGMK-UHFFFAOYSA-N
- CC(=NN=C1NCCN1)c1ccc(F)cc1
MolClass #154192
CJSKSMLEANLTMU-UHFFFAOYSA-N
- CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
MolClass #154193
GBMCQAFUZADKNA-UHFFFAOYSA-N
- S=C1NCN(CCN2CCCC2)CN1
MolClass #154194
CFDJCPDGDDCVCR-UHFFFAOYSA-N
- CCOC(=O)C(=CNc1ccccc1N1CCOCC1)C(=O)OCC
MolClass #154195
FZTIOFBMUPVNSU-UHFFFAOYSA-N
- Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1cccc2cccnc12
MolClass #154196
KWBIQRJDSQWSED-UHFFFAOYSA-N
- Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(c1)C(=O)Nc1ccc(F)cc1
MolClass #154197
SSDODFZBYHFBEF-UHFFFAOYSA-N
- CCOC(=O)C(=CNc1cccc(c1)C#N)C(=O)OCC
MolClass #154198
VTCVHSVVBDHVIN-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1N(C)C)C1=NNC(=O)c2ccccc21
MolClass #154199
ZYPOHWIILXUBAJ-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(ccc1N(C)NC(C)=O)C(F)(F)F
MolClass #154200
IGVUCBLNYDMPSU-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1
MolClass #154201
VZDUQPHKUBZMLW-UHFFFAOYSA-N
- CCOC(=O)C(C#N)C1c2cc(Br)ccc2OC(N)=C1C(=O)OCC
MolClass #154202
SXJDCULZDFWMJC-UHFFFAOYSA-N
- Br.Cc1cc(ccc1Cl)C1=CSC2=NCCN21
MolClass #154203
BQPIAHDUUPFZDB-UHFFFAOYSA-N
- Cc1ccc(SC(=O)c2cccnc2Oc2ccccc2)cc1
MolClass #154204
NXJQQWUPGXZKQX-UHFFFAOYSA-N
- NNC(=O)c1cccnc1Oc1ccccc1
MolClass #154205
LZIVTMKZXYGBTB-UHFFFAOYSA-N
- Clc1cc(Cl)cc(Br)c1
MolClass #154206
DZHFFMWJXJBBRG-UHFFFAOYSA-N
- Clc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
MolClass #154207
LUZPCLURXBMOQH-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc2OC(=O)C(NC(=O)c3c(F)cccc3F)=Cc2c1
MolClass #154208
JMKKAGMOJJCQLK-UHFFFAOYSA-N
- FC(F)(F)c1cc(cc(c1)S(=O)(=O)NCCc1ccncc1)C(F)(F)F
MolClass #154209
LZFUUQFIJSRLEK-UHFFFAOYSA-N
- CCOC(=O)CCC(C#N)(N1CCOCC1)c1ccc(Cl)cc1
MolClass #154210
KZXJRUAAZBWJDV-UHFFFAOYSA-N
- Nc1c(Cl)cc(cc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1
MolClass #154211
FTIJAJZMCMUIAK-UHFFFAOYSA-N
- Cc1nn(nc1C(=O)NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1
MolClass #154212
NMXOXNBLZRBCNL-UHFFFAOYSA-N
- O=C(Nc1scnn1)c1ccncc1
MolClass #154213
GPHIIJFSNURPGL-UHFFFAOYSA-N
- CC(C)(C)c1ccc(cc1)C(=O)NN=Cc1cc(Cl)cc(Cl)c1O
MolClass #154214
RKNGGARTXFDLGZ-UHFFFAOYSA-N
- NC(=O)c1ccccc1N1CCCCC1
MolClass #154215
VTXYPPVXMJMLCY-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(Oc2c(Cl)cccc2Cl)c(Cl)c1Oc1c(Cl)cccc1Cl
MolClass #154216
LXKVABKZOZYWBR-UHFFFAOYSA-N
- Cl.CC1CN(CC(C)O1)Cc1cc(C)c(O)c(C)c1
MolClass #154217
CTVPJAPKZPACNH-UHFFFAOYSA-N
- Nc1cccc(NC=C(C#N)C#N)n1
MolClass #154218
PTMIYYJKHUBSIO-UHFFFAOYSA-N
- Fc1ccc(OC(=O)c2sccc2)cc1
MolClass #154219
COJRBDCVQMYEQY-UHFFFAOYSA-N
- Fc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1Cl
MolClass #154220
JHBPQHKGWKVVNA-UHFFFAOYSA-N
- CC(C)(C)C(=O)Nc1ccc(F)cc1
MolClass #154221
DDRGTIBAQBROSP-UHFFFAOYSA-N
- Br.N#Cc1cccc(CSC2NCN(CN=2)C2CC2)c1
MolClass #154222
DCKHCUPNIMANAM-UHFFFAOYSA-N
- COc1ccc(OC)c(c1)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1C
MolClass #154223
VZRJQENMYZZVQT-UHFFFAOYSA-N
- COc1ccccc1Oc1ccc(cc1NC(=O)NC(=O)c1ccccc1F)C(F)(F)F
MolClass #154224
MOLHXRXDKWFUFF-UHFFFAOYSA-N
- COc1ccc2N(CCCc2c1)C(=O)NC(=O)c1c(F)cccc1Cl
MolClass #154225
ZIEIHUKUJBJBKT-UHFFFAOYSA-N
- CC(C=NO)=NNc1ccccc1
MolClass #154226
KZGITHRMSUWQHM-UHFFFAOYSA-N
- CCCc1cc(Br)c(n2cccc2)c(Br)c1
MolClass #154227
XEAOVTSAXNZMEH-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(Oc2c(Cl)cc(cc2Cl)S(=O)(=O)NC(=N)c2cccnc2)c(Cl)c1
MolClass #154228
OUUWWIAGYLCKIF-UHFFFAOYSA-N
- Fc1ccccc1C(=O)NC(=O)NNc1c(Cl)cc(Cl)cc1Cl
MolClass #154229
IKMYVBPWQLVSFS-UHFFFAOYSA-N
- Clc1ccc(Cl)c(NC(=S)NCCCn2ccnc2)c1
MolClass #154230
XMJNRTDSBPHWBY-UHFFFAOYSA-N
- CSc1cccc(NC(=S)N=CN(C)C)c1
MolClass #154231
MOADCVUHNJTBLV-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(C)c(C)cc1NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
MolClass #154232
XATIMBFNNAWCPN-UHFFFAOYSA-N
- COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl
MolClass #154233
YPBMBIJWYMAVLS-UHFFFAOYSA-N
- Nc1ccccc1C(=O)NCCc1ccc(Cl)cc1
MolClass #154234
YPXWKWNBLJVVBY-UHFFFAOYSA-N
- CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)ccc1OC(=O)c1ccccc1F
MolClass #154235
RHXJEIZBXVKKAW-UHFFFAOYSA-N
- Br.OC1(CSc2nc3cc(ccc3n21)C(F)(F)F)c1ccc(Cl)cc1
MolClass #154236
MSLPLCUDEWBKEP-UHFFFAOYSA-N
- Cc1onc(c2ccccc2)c1C(=O)ON1C(=O)c2ccccc2N=C1c1ccccc1
MolClass #154237
KCJXNCHVYQLMJX-UHFFFAOYSA-N
- NNC(=S)Nc1cc(ccc1Cl)C(F)(F)F
MolClass #154238
MXGYRNPXMHSZKJ-UHFFFAOYSA-N