smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Fc1ccc(OCCSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 | 10,200 |
CC1CCC(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)O1 | 10,201 |
O=C(O)CCC(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S | 10,202 |
COc1ccc2cc(NC(=O)c3[nH]nc4c3CCCCC4)cnc2c1 | 10,203 |
Cn1ncc(Cl)c(Oc2ccc(Cl)cc2)c1=O | 10,204 |
CCNC(=O)C1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 | 10,205 |
CC1(C)C(O)CC1NC1CCCCC1CN | 10,206 |
CC(C)(C)OC(=O)NC1CC12CCCN(C(=O)OCc1ccccc1)C2 | 10,207 |
CCc1ccc2ncn(CC3CCN(C)C3)c(=O)c2c1 | 10,208 |
O=C1CCc2cc(OCC(=O)N3CCOc4ccccc43)ccc2N1 | 10,209 |
CC(NC(=O)N1CCC(C)(O)C1)c1ccc2c(c1)OCCO2 | 10,210 |
Cn1cc2c(n1)CCCC2NC1CCN(C(=O)C2CCCC2)C1 | 10,211 |
O=C(OCc1ccccc1)N1CCCCC1c1ccc(OCc2ccccc2)nc1 | 10,212 |
CCCN(CC1CC1)C(=O)c1ccc(NC)cc1 | 10,213 |
COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)C2c2sccc2C)c1 | 10,214 |
CC(C)c1ccn(-c2ccccc2[C@@H](C)O)n1 | 10,215 |
CC(C)(C)NC(=O)C(Cl)C(C)(C)C | 10,216 |
CCC(O)(CC)CNCc1cnc(-c2ccccc2)s1 | 10,217 |
NCCC1CCCCN1Cc1cncc(Br)c1 | 10,218 |
COc1c(OC(F)(F)F)ncc(O)c1CN | 10,219 |
CCN(CC)C(=O)CN(C)C(=O)c1cccc2cc[nH]c12 | 10,220 |
Cc1cccc(-c2nc(N)c3cc(C)sc3n2)n1 | 10,221 |
Cc1ccccc1NC(=O)C(C)Nc1cnn(C(C)(C)C)c1 | 10,222 |
Cc1ccc(C#N)nc1N1CCn2ncc(Cl)c2C1 | 10,223 |
Cc1ccccc1C(C(C)C)N(C)C(=O)C=Cc1cncs1 | 10,224 |
COc1ccc(C2=Nc3ccccc3N(Cc3cccc(Cl)c3)C(=O)C2)cc1 | 10,225 |
Cc1oc(C(=O)NS(=O)(=O)C2CCC2)cc1S(=O)(=O)N1CCCC1 | 10,226 |
CCC(O)(CC)CNC(=O)c1sccc1Cl | 10,227 |
Cc1cc(-c2nnc3ccc(N)cn23)on1 | 10,228 |
COc1cccc(O)c1C(=O)NC(C)C1CCOCC1 | 10,229 |
COCCCNC(=O)c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12 | 10,230 |
Cc1cccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(c3ccccc3)C2=O)c1 | 10,231 |
C#CCCCC(N)c1ncc(Cl)cc1Cl | 10,232 |
Cc1ccccc1Oc1ccc(I)cn1 | 10,233 |
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1C2c1ccccc1OCC(=O)O | 10,234 |
Cc1cnccc1N1CCCC(c2nccn2CCN(C)C)C1 | 10,235 |
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCCOC[C@@H](O)[C@H]1O | 10,236 |
CC(C)CNC(=O)Nc1ccc(C(=O)O)cc1O | 10,237 |
C#CCC(NC(=O)N(CCC)C1CC1)C(=O)O | 10,238 |
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cnn(C)c4Cl)CC3)cc2)n(-c2ccc(F)cc2)n1 | 10,239 |
COC(=O)c1cccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1 | 10,240 |
Fc1ccccc1N1CCN(c2cnnc(NCCCc3ccccc3)n2)CC1 | 10,241 |
Cc1c(C(=O)N(C)C2CCS(=N)(=O)C2)cnn1-c1ccccn1 | 10,242 |
CN(C(=O)c1cccs1)C1CC2C=CC1C2 | 10,243 |
Cn1cnnc1SCCCOc1ccc(Cl)cc1 | 10,244 |
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 | 10,245 |
COc1ccccc1CNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O | 10,246 |
CN(Cc1ccoc1)Cc1cccc(N)n1 | 10,247 |
CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C)c2)C1c1c(C)[nH]c2ccccc12 | 10,248 |
COC(=O)C1CN(C(=O)c2ccc(C)cc2)c2ccccc2O1 | 10,249 |
Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)c(C)o1 | 10,250 |
CS(=O)(=O)c1ccc(COc2ccc3c(c2)CCNC3)cc1 | 10,251 |
CC(C)(C)Nc1cc(-c2ccccn2)n[nH]1 | 10,252 |
CCS(=O)(=O)N1CCCC(C(=O)N2CCCC2C2CCCCC2=O)C1 | 10,253 |
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)C1c1ccccn1 | 10,254 |
COc1cc(NC(C)CN(C)C)cc([N+](=O)[O-])c1 | 10,255 |
NCC1(C2CCCCN2C(=O)Cn2nc3ccccn3c2=O)CCC1 | 10,256 |
CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)cc1 | 10,257 |
CCCOC1(C=O)CCSCC1 | 10,258 |
C[C@@H]1c2ccccc2CN1C(=O)Cc1n[nH]c(C2CC2)n1 | 10,259 |
O=C(Cn1cnnn1)NC[C@H]1CCO[C@@H]1c1ccccc1 | 10,260 |
O=C(CC1(O)CCOC1)NC1CCCN(c2ccccc2F)C1=O | 10,261 |
COc1ccc(-c2ncnc(N3CC(N(C)C(=O)c4ccnn4C)C3)c2F)cc1 | 10,262 |
O=C(NCCc1ccccc1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 | 10,263 |
Cc1ncsc1CNC(=O)CC(C)CN | 10,264 |
N#CC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 | 10,265 |
CC(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2)cn1 | 10,266 |
O=C(Cn1cc(C(=O)O)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl | 10,267 |
N#Cc1ccc(NCC(=O)NC2(c3ncc[nH]3)CC2)cc1 | 10,268 |
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CN1CCCC1 | 10,269 |
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(NC(=O)C(C)C)nc3=O)[C@H](OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1 | 10,270 |
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 | 10,271 |
Cc1[nH]nc(O)c1C(CC(N)=O)C1=Cc2ccccc2OC1 | 10,272 |
Cc1ccccc1CNC(=O)c1nn[nH]c1Nc1cccc(Cl)c1 | 10,273 |
N#Cc1nnc2ccccc2c1N | 10,274 |
CS(=O)(=O)NCCC(=O)N1CCN(C2CCc3ccccc3C2)CC1 | 10,275 |
CCC(C)N(C)c1ccc(CC(C)N)cn1 | 10,276 |
O=C(NC1CCCOCC1)N1CCC[C@@H](CN2CCOCC2)C1 | 10,277 |
Cn1ncc(N)c1CO | 10,278 |
Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 | 10,279 |
CC1CC(CNC(=O)c2ccnc3ccccc23)CC(C)O1 | 10,280 |
O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)NCCc1ccc(Cl)cc1 | 10,281 |
Cc1csc(C(C)C(=O)N2CC(C)(C)CCC2CO)n1 | 10,282 |
Cc1cccc(CNC(=O)c2cc(Nc3cccc(Br)c3)ncn2)c1 | 10,283 |
Cc1nccn1CCCn1cc2cccc(Br)c2n1 | 10,284 |
CC(C)(C)c1ccc(NC2CCSCC2)cc1 | 10,285 |
Cc1cc(C)c(-n2cccn2)c(CN2CCC[C@H]2C(=O)N2CCOCC2)c1 | 10,286 |
CCOc1c(C)cc(CCl)cc1F | 10,287 |
CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2CC2CCCO2)nc2ccccc21 | 10,288 |
COc1ccc(S)c(OC)c1F | 10,289 |
CCC1(CN2CCCC2)CCCNC1 | 10,290 |
CC(N)C(=O)Nc1ccc(I)cc1C(=O)O | 10,291 |
CCNC(=O)Cn1c(N)nc2ccc(C)cc21 | 10,292 |
O=C(N1CCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 | 10,293 |
CC1(C)CN(S(=O)(=O)NC2CCN(c3cccc(Cl)c3)C2=O)CCO1 | 10,294 |
C(CNc1nc(C2CC2)ns1)CNC1CC1 | 10,295 |
COCC(C)CNc1nc(N)nc2ccccc12 | 10,296 |
COCCOc1c(Cl)cccc1CNC(C)(C)C | 10,297 |
COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)C2c2cccc(OC(C)C)c2)cc1 | 10,298 |
Cc1cccc(C(=O)N[C@@H](C)CO)c1Cl | 10,299 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.