Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
28,303,180 |
C1CCN(CC1)CCSC2=NN=C3N2C=C(C=C3)N
|
28,303,182 |
CN(C)CCCSC1=NN=C2N1C=C(C=C2)N
|
28,303,183 |
C1COCCN1CCSC2=NN=C3N2C=C(C=C3)N
|
28,303,184 |
C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,185 |
C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,186 |
C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,187 |
C1=CC(=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,188 |
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,189 |
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,190 |
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C
|
28,303,191 |
CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,192 |
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C
|
28,303,193 |
C1=CC(=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)F
|
28,303,194 |
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,195 |
CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,196 |
CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,197 |
CCC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,198 |
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)OC
|
28,303,199 |
C1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C(F)(F)F
|
28,303,200 |
C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)F
|
28,303,201 |
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,202 |
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,203 |
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,204 |
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,206 |
C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,207 |
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,208 |
COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,209 |
C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,210 |
C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,211 |
COC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,212 |
C1=CC(=C(C=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl)F
|
28,303,213 |
CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,214 |
C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,215 |
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,216 |
C1=CC2=NN=C(N2C=C1N)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl
|
28,303,217 |
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,218 |
COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,219 |
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C
|
28,303,220 |
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,221 |
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C
|
28,303,222 |
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,223 |
COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,224 |
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,225 |
C1=CC(=C(C=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl)Cl
|
28,303,226 |
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,227 |
C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,228 |
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C
|
28,303,229 |
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,271 |
C1=CC2=NN=C(N2C=C1N)SCC(=O)O
|
28,303,276 |
C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,277 |
C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)F
|
28,303,278 |
C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)Br
|
28,303,279 |
C1=CC(=CC(=C1)Cl)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,280 |
COC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,282 |
C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)C(=O)O
|
28,303,283 |
CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,284 |
CC(C)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,285 |
CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,286 |
CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,287 |
CCCOC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,289 |
C1=CC(=CC(=C1)C(=O)O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,290 |
COC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,291 |
CCOC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,292 |
CC(C)OC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,293 |
CCCOC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,294 |
C=CCSC1=NN=C2N1C=C(C=C2)N
|
28,303,295 |
C1=CC2=NN=C(N2C=C1N)SCC#N
|
28,303,296 |
C1=CC2=NN=C(N2C=C1N)SCCO
|
28,303,297 |
CC(=C)CSC1=NN=C2N1C=C(C=C2)N
|
28,303,299 |
CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,302 |
C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,303 |
CC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,304 |
C1=CC(=CC=C1C(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl
|
28,303,305 |
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,306 |
COC1=CC=CC(=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,307 |
COC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N)OC
|
28,303,308 |
C1=CC(=CC=C1C(=O)CSC2=NN=C3N2C=C(C=C3)N)Br
|
28,303,310 |
C1CCN(C1)CCSC2=NN=C3N2C=C(C=C3)N
|
28,303,311 |
C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,312 |
C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)C#N
|
28,303,313 |
C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C4N3C=C(C=C4)N
|
28,303,315 |
CN(C)CCSC1=NN=C2N1C=C(C=C2)N
|
28,303,316 |
CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N
|
28,303,317 |
CC1=C(SC(=N1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C(=O)C
|
28,303,319 |
CC(=O)NC1=CN=C(C=C1)S(=O)(=O)CC(=O)O
|
28,303,321 |
CC1=CC2=C(C=C1C)N(N=N2)CC3=CC=C(C=C3)C(=O)O
|
28,303,323 |
CC1=CC2=C(C=C1C)N(N=N2)CC3=CC=C(O3)C(=O)O
|
28,303,325 |
CC1=CC2=C(C=C1C)N(N=N2)CC3=CC(=CC=C3)C(=O)O
|
28,303,326 |
CC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,327 |
CC1=C(C=C(C=C1)C2=CN3C=CC=C(C3=N2)N)C
|
28,303,328 |
CCC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,329 |
CC(C)C1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N
|
28,303,330 |
C1CCC2=C(C1)C=CC(=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,331 |
C1=CN2C=C(N=C2C(=C1)N)C3=CC=C(C=C3)Br
|
28,303,332 |
C1=CN2C=C(N=C2C(=C1)N)C3=CC=C(C=C3)F
|
28,303,333 |
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)N
|
28,303,334 |
C1=CN2C=C(N=C2C(=C1)N)C3=C(C=C(C=C3)Cl)Cl
|
28,303,335 |
C1=CC=C2C=C(C=CC2=C1)C3=CN4C=CC=C(C4=N3)N
|
28,303,336 |
CC1=CC(=C(C=C1)C2=CN3C=CC=C(C3=N2)N)C
|
28,303,337 |
C1COC2=C(O1)C=CC(=C2)C3=CN4C=CC=C(C4=N3)N
|
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