smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CCSc1nnc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 | 200 |
Cc1onc(-c2ccccc2)c1CNC(=O)c1c(-c2ccccc2)noc1C | 201 |
CCOc1ccc(CC(=O)N2CCCC(c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 | 202 |
COc1cccc(CNCc2cccnc2)c1OCc1ccc(Cl)cc1Cl | 203 |
Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(c1nnc(SCc2ccccc2)s1)C3=O | 204 |
Cc1cn2c(=O)c(C(=O)N3CC4(CCC4)C3C3CCOCC3)cnc2s1 | 205 |
CC(C)(O)c1ccc(C2CCC2)cc1 | 206 |
Cc1cc(CC2CC2)cc(C(=O)O)c1 | 207 |
N#Cc1ccc(C(=O)N(CCBr)C2CC2)nc1 | 208 |
CN1CCCC1c1cccnc1NC(=O)OC(C)(C)C | 209 |
CCN(C(=O)c1cccc(C(=O)Nc2c(F)cccc2F)n1)c1ccccc1 | 210 |
COC(=O)c1cccc(-c2nc(C(C#N)=C(C)N)cs2)c1 | 211 |
CC(C)Cc1c(-c2ccc(Br)cc2F)noc1N | 212 |
CN(C)c1ccc(S(=O)(=O)Cl)o1 | 213 |
COc1ccc(C2c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1 | 214 |
Cc1c(C(=O)NS(=O)(=O)NC(C)(C)C)ccn1C | 215 |
CCCOc1cccc(C2C(c3cccc(OCC)c3)=C(O)C(=O)N2c2ccccc2C(=O)OCC)c1 | 216 |
CCOC(C)c1ncc(C(=O)N2CCC(C(=O)O)C2)s1 | 217 |
CC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 | 218 |
CCc1ccc2nc(N3CCN(c4cc(Cl)nc(CC)n4)CC3)sc2c1 | 219 |
Cc1nsc(C)c1COc1ccc(OC(C)C(N)=O)cc1 | 220 |
O=C(C1CCCO1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 | 221 |
Cc1cccc([N+](=O)[O-])c1-n1ccnc1C#N | 222 |
CC(C)C[C@H](Nc1cccc(C(F)(F)F)n1)C(=O)O | 223 |
COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CC3CCCO3)C2c2ccc(F)cc2)c1 | 224 |
CC1CC(C(=O)N2CCc3ccccc32)CCC1=O | 225 |
O=S(=O)(Nc1cc(F)ccc1F)c1cc(Cl)cc(Cl)c1 | 226 |
COCCONC(C)c1cc(F)cc(F)c1 | 227 |
OC1(CCC2CCCC2)CCCCC1 | 228 |
O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)NC1CCCCC1 | 229 |
Cc1cccc(NC(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)c1 | 230 |
CC(C)c1cc(N2CCC(C3CCCNC3)CC2)n2ncnc2n1 | 231 |
COc1ccc(-c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 | 232 |
Cc1cc(OCCCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)cc(C)c1Cl | 233 |
CN1CCN(C(=O)CN(C)S(=O)(=O)CC2CCCCO2)CC1 | 234 |
NCC1CCCC1NC(=O)c1nccnc1N | 235 |
CCc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 | 236 |
c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 | 237 |
O=C(Nc1cc2n(n1)CCOC2)c1c(Cl)cccc1OCC1CC1 | 238 |
Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cn2c(-c4ccccc4)noc2=O)C3CCC1 | 239 |
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nnc(-c2ccco2)s1 | 240 |
CCc1cccc(CC)c1N1CC(C(=O)NCCc2cccc(OC)c2)CC1=O | 241 |
C#CC1(O)C=CC(CCC)CC1 | 242 |
COc1ccc(Br)c2c(Cl)c3c(nc12)CCCC3 | 243 |
CCC(C)(C)N(C)c1nc(C)c(C(C)=O)s1 | 244 |
CC(C)n1cnnc1SCC(=O)NC1(CO)CC1 | 245 |
Cc1nnnn1-c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1 | 246 |
CCC(=O)C(C)Cc1cc(Br)ccc1OC | 247 |
CCc1ccc(-c2ccc(CNCC3CCS(=O)(=O)C3)o2)cc1 | 248 |
CCOCC(NC)C1CCCS1 | 249 |
O=C(CBr)NNC(=O)c1ccccc1 | 250 |
CC1CCN(C(=O)NCc2ccc(N(C)C)nc2)CCS1(=O)=O | 251 |
O=C(CCCc1ccc2c(c1)OCCCO2)N1CCOC[C@H]1CO | 252 |
Oc1cc(C(F)(F)F)c2nc[nH]c2c1 | 253 |
Cc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C | 254 |
COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccc(OC(C)=O)cc1 | 255 |
O=C(NC1CSc2ccccc21)NC1c2ccccc2CC12CCOCC2 | 256 |
N#Cc1ccc(Nc2cncc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 | 257 |
CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)C1c1ccc(OCC(C)C)cc1 | 258 |
O=C(NC(Cn1nccn1)c1ccccc1)c1ccno1 | 259 |
Cc1cccnc1NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C | 260 |
O=C(O)CC(C=Cc1ccc(F)cc1)C(=O)O | 261 |
COc1ccc(C2CC(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=O)[nH]c3C2)cc1 | 262 |
COc1ccccc1CNc1ccc(NC(=O)c2ccccc2Cl)nn1 | 263 |
Cc1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)oc2c(Cl)cc(Cl)cc2c1=O | 264 |
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 | 265 |
CC(C)n1c(CC2CC2)nc2cc(CN)ccc21 | 266 |
CCNCCNC(=O)c1ccccc1S(=O)(=O)C(C)C | 267 |
CCC(Cn1cc(C(F)(F)F)ccc1=O)NC | 268 |
O=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc2c(c1)OCCO2 | 269 |
CCc1cc(N2CCC(Br)CC2)nc(C)n1 | 270 |
CC(C)(CO)CNc1ccc(S(C)(=O)=O)cc1 | 271 |
O=C(NCc1ccccc1)N1C[C@@H](O)C[C@H]1CO | 272 |
CC(C)(C)c1cn2nc(N3CCCC3C(=O)NCC(F)(F)F)sc2n1 | 273 |
O=C(NC1CCc2c(F)cccc21)c1nn[nH]c1C1CCCN1 | 274 |
CN=C(NC)SCC1CCCC1(F)F | 275 |
CC1CC(CCNC(=O)N(C)CCc2ccncc2)CC(C)O1 | 276 |
Cc1cc(C)c(OCC2CCC2)c(N)c1 | 277 |
CC1CCN(C(=O)C2CCN(C(=O)CCc3ccc(C(=O)O)cc3)CC2)CC1 | 278 |
CCc1ccccc1C(N)c1cc(Br)ccc1Br | 279 |
COc1cccc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 | 280 |
N#CC(C#N)C(=O)c1cc(Br)ccc1I | 281 |
Cc1ccc(Cl)cc1NC(=O)CC(=O)NCCc1ccc(Cl)cc1Cl | 282 |
Cc1ccccc1CCc1cc(N)n[nH]1 | 283 |
O=S(=O)(N=S1(=O)CCCC1)NC1C=CCCC1 | 284 |
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 | 285 |
CCC(C)C(CN)N(CC(C)C)C1CCCC1 | 286 |
Cc1cccc(NCc2nc(C)c(C)o2)c1 | 287 |
C#CCC(C)NCc1ccc([N+](=O)[O-])cc1 | 288 |
COc1cccc(CC(=O)N2CCC(OCCc3noc(CC(C)C)n3)CC2)c1 | 289 |
COC(=O)CCNCc1ccccc1OC(C)C | 290 |
O=C(CCBr)Nc1cccc(F)c1F | 291 |
O=C(O)c1cccc2c1CCN2C(=O)C1(c2cccnc2)CC1 | 292 |
C[C@@H](O)CN(C)C(=O)NC(c1ccc(F)cc1)C1CCCO1 | 293 |
C=CC(O)c1ccc(OC)nn1 | 294 |
Cc1ccc(NC(=O)c2ccnc(Nc3ccc(F)c(F)c3)n2)c(C)c1 | 295 |
CNc1nnc(CN(C)Cc2ccc(C)cc2)s1 | 296 |
O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccc2F)CC1 | 297 |
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CC2(CC2)C1 | 298 |
CN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)C1Cc2ccccc2C1 | 299 |
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