product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
Clc1ccc(N2CCC(C2)C(C)N)c([N+]([O-])=O)c1 | 180 |
c1cc(ccc1)CN2CC(C(CC2)C(C)N)c3ccc(cc3)Cl | 181 |
C1CN(CCC1N)Cc2ccc(cc2)C | 182 |
NC(CCC=C)c1ccccc1OC | 183 |
c1(c(C(CCC2CCN(CCSc3c(ccc(F)c3)F)CC2CC(=O)OC)N)c4cc(ccc4nc1)OC)F | 184 |
c1cc(ccc1NS(=O)(=O)C)C(N)C | 185 |
C1C(CC(N)=O)CC(C)CC1 | 186 |
FC(F)(F)C1(c2ccccc2-c3c(cc(cc13)OCC(C)O)-c4cn(C(C)(C)C(N)=O)nc4)O | 186 |
C12CC(CC(CCC1)C2N3CC(COc4ccc(cn4)C#N)C(C)(C)C3=O)C(N)=O | 187 |
CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cn2)Nc3nc(c(cn3)C)CCc4ccccc4CC(=O)N | 187 |
CC(C)(C)OC(=O)Nc1cc(CCC(=O)N)ccn1 | 187 |
CC(C)(C)OC(N1CC(C(=O)N)CC(N(C(c2n(c3c(cccc3)n2)CCCCOC)=O)CC(C)C)C1)=O | 187 |
CC(C)(CCC)C(N)=O | 188 |
c1cc(ccc1CC(CCC(N)=O)NC(=O)CCCCCCc2ccccc2)OCc3ccccc3 | 189 |
c1cc(ccc1Cn2c3ccc(OC)cc3c(CC(C)CC(N)=O)c2C)Br | 190 |
c1cc(ccc1)COc2cc(ccc2Cc3ccc(cc3)CC)CC(=O)N | 191 |
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N | 192 |
CC(C)(C)OC(=O)Nc1nccc(CCC(=S)N)c1 | 193 |
c1cc(ccc1Cn2c(c(CC(C)CC(=S)N)c3c2ccc(OC)c3)C)Br | 194 |
CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O | 195 |
C1CC(CCC1C(NCc2c(O)nc(nn2)N)=O)C(=O)OC | 196 |
C1CN2CCC1C(NC(Cc3cc4ccccc4n3C)=O)C2 | 197 |
C1CC(CCC1C(NCC)=O)CC(=O)OCC | 198 |
c1cc(ccc1C#N)C(NNC(=O)C(Nc2cc(c(C#N)cc2)Cl)C(C)O)=O | 199 |
c1cc(ccc1C#N)C(=O)NNC(=O)C(C(O)C)Nc2ccc(c3ccccc23)C#N | 200 |
C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3 | 201 |
C(C)C(CC)N1C(c2ccc(cc2)Cl)C(CC(CC(=N)NO)(C1=O)C)c3cc(Cl)ccc3 | 202 |
CC1(C)c2c(C(C1)NS(=O)(=O)C)cccc2 | 203 |
CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cc(C#N)cc2)Oc3c(Br)cccc3 | 204 |
C1CCC(C1)Oc2cc(CC(=O)Nc3c(O)c([N+](=O)[O-])ccc3)ccc2OC | 205 |
CC(Nc1c(Cl)nn(-c2cccnc2)c1)=O | 206 |
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1Cc2c(C)[nH]c3c2cccc3 | 207 |
CC(C)(C)OC(N1CC(CC1C(=O)Nc2ccc(cc2)N3C(=O)COCC3)N=[N+]=[N-])=O | 207 |
C1COCCC1C(N=[N+]=[N-])C | 208 |
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)OC | 208 |
CC(C)(C)OC(C1N(C(=O)OC(C)(C)C)CC(C1)N=[N+]=[N-])=O | 208 |
c1cc(ccc1Cl)C2(O)CN(Cc3cc(ccc3)OC)CC2 | 209 |
FC(F)(F)C(CC1(C)c2cc(SC)ccc2OCC1)O | 210 |
C1CC(CCC1CCCCC)c2cc(c(cc2)C3CCC(CC3)C4CCC(CC4)O)F | 211 |
FC(F)(F)CC(C(NS(=O)(=O)c1sc(cc1)Cl)C(O)C)C | 212 |
CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O | 213 |
CC(C)(C)OC(N1CC(CC1)C(c2ccc(c(F)c2)Cl)O)=O | 214 |
CC1(C)C(n2cncc2C(O)C)c3c(C(=O)O1)cccc3 | 215 |
C1(c2cc(OC)c(cc2)OC)CC(CCC1[N+](=O)[O-])OC(=O)C | 216 |
CC(C)(C)OC(=O)NC1CCC(OS(=O)(=O)C)C1 | 217 |
O=S(=O)(OC(C1C(C)(C)C1C(OCC)=O)C(Cl)Cl)c2ccc(cc2)C | 218 |
CC(C)N1CC(Oc2ccc(Cl)cc2Br)CC1 | 219 |
FC(F)(F)c1cc(C2CCN(CC2)C(=O)OC(C)(C)C)c(cc1)Sc3ccc(cc3)Cl | 220 |
O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3 | 220 |
c1ccccc1C(C2CC(N(C2)C(c3ccccc3)C)=O)O | 221 |
c1cc(c2c(c1)C(=O)C(C)C2)-c3ccccn3 | 222 |
C1CC(CCC1CCCCC)c2cccc(F)c2F | 223 |
C1CC(CCC1c2c(F)cc(cc2)Br)CCC | 223 |
O1CCOC12CCC(CC2)c3c(F)cc(F)c(F)c3 | 223 |
c1(C(CCCC)N)cc(c(OC)cc1)OC | 224 |
c1cc(ccc1)-c2c(c3c([nH]2)cccc3)C4CCNCC4 | 225 |
Brc1ncc(c(C(=O)C)c1)F | 226 |
FC(F)(F)c1cc(N2C(C)=C(C(c3ccc(cc3[N+]([O-])=O)C#N)NC2=O)C#N)ccc1 | 227 |
Clc1cc(c(C2CC(=O)NC(=C2C(Nc3cc(Cl)c4n[nH]cc4c3)=O)C)cc1)F | 228 |
C1CN(CCO1)CC=C(C[N+](=O)[O-])C | 229 |
CC(C)CC(=CCCC(CC)=CCOc1cc2c(OCO2)cc1)C | 230 |
c1ccccc1C(C)=NNC(c2c(c(ccc2)[N+]([O-])=O)O)=O | 231 |
C(C(=NO)c1c(F)cnc2ccc(OC)cc12)CC3CCN(CCSc4c(ccc(F)c4)F)CC3CC(=O)OC | 232 |
FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C | 233 |
FCC(CF)(C(C(Oc1ccc(cc1)Cl)Br)=O)C | 234 |
CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br | 235 |
CC(C)(CF)C(=O)C(Oc1ccc(Cl)cc1Cl)Br | 236 |
c1ccccc1C(c2ccccc2)N3CCN(CC3)CCOC(C(C(=O)C)=Cc4cc([N+](=O)[O-])ccc4)=O | 237 |
C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4 | 238 |
C1CC(CCO1)CC(C(=O)CCC(=O)c2sc(cn2)COC3OCCCC3)c4nn(C)c(SC)c4 | 239 |
CC(C)(CF)C(COc1ccc(Cl)cc1Cl)=O | 240 |
c1cc(ccc1OCC(C(CF)(CF)C)=O)Cl | 240 |
C(CN1C(=O)CCCC1C=CC(=O)CCCCC)#CCCCC(OC)=O | 241 |
C1COCCC1CC(c2cc(n(C)n2)SC)C(C=C)=O | 242 |
FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O | 243 |
FC(F)(F)CC(C)C(NS(=O)(=O)c1sc(cc1)Cl)C(C)=O | 244 |
CC(C)(C)c1c(O)c(c(c(C)c1)CC(=O)Cl)C | 245 |
c1cc(ccc1COC(CC(=O)Cl)CCCCCCCCCCC)OC | 246 |
c1cc(ccc1C=2C(N(C3(CCCCC3)N=2)CC(=O)Cl)=O)C | 247 |
c1c(c(cc(c1)CNc2c3c(sc4c3cccc4)nc(n2)CCC(Cl)=O)Cl)OC | 248 |
c1cc(Cl)c(c(Cl)c1OC(C)C(Cl)=O)C | 249 |
c1cc(ccc1CCC)OC(C)C(Cl)=O | 249 |
FC(F)(F)c1cc(C(C(c2cc(F)ncc2)N(C(=O)C)C3CCCC3)O)ccc1 | 250 |
c1cc(ccc1-c2ccccc2)C(N(C(=O)CN3C(=O)Oc4c3cc(c(C)c4)OC)C)CN5CCOCC5 | 251 |
C(C(N1CC(F)CC1C(NCc2cccc(Cl)c2F)=O)=O)n3c4ccc(O)cc4c(C(=O)C)c3 | 252 |
CC(C)(C)OC(C1N(C(=O)C2N(C(C(NC(CSCCCCCCC)C(=O)OCC)C)=O)CCC2)CCC1)=O | 253 |
OC1C(O)CN(C1)C(=O)CNC(=O)c2[nH]c3ccc(Cl)cc3c2 | 254 |
C1CC(CCN1C(C)=O)CC(NC(=O)C2CCCCC2NC(c3n(C)c4ccccc4c3)=O)C#N | 255 |
O=S(=O)(c1nc2CCN(C(C)=O)Cc2c(n1)-c3c(Cl)cc(Cl)cc3)C | 255 |
c1cc(ccc1OCCC2CCCCN2C(C)=O)-c3[nH]c4cc(ccc4n3)C(N)=O | 255 |
CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCCCC(N2CCN(CC2)C(OC(C)(C)C)=O)=O | 256 |
CC(C)(C)C(C(=O)N1C2C(c3c4ccc(cc4[nH]c3)F)CN(C2CC1)C5CCCC5)NC(OC(C)(C)C)=O | 257 |
CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C | 257 |
CC(C)(C)OC(=O)NCC1CCCCN1C(CCCCCCCCCCCC)=O | 258 |
C1N(CC1Nc2cncc(N3C(c4c(cc(cc4)Cl)C3(C)C)=O)c2)C(C)=O | 259 |
FC(F)(F)c1cc(n(CC(=O)N2CCC(CC2)c3scc(n3)C#Cc4c5c(ccc4)cccc5)n1)C | 260 |
c1cc(ccc1-c2nn(C3CCCN(C(CC#N)=O)C3)c4c2c(ncn4)N)Oc5c(cccc5)F | 260 |
c1cc(ccc1-c2nn(c3ncnc(N)c23)C4CN(CCC4)C(CC#N)=O)Oc5c(ccc(F)c5)F | 260 |
CC(C)(C)NC(=O)C1(CCN(CC1)C(C2C(CC(=C)C2)c3ccc(F)cc3F)=O)C4CCCCC4 | 261 |
CC(C)(C)OC(NC(C(=O)N1CCC(F)C1)C(C)C2CCC(CC2)N(C)C(=O)C)=O | 262 |
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