Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,461,076 | CC(C1=CC=CC=C1Br)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,077 | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,078 | C1COC2=C(O1)C=CC(=C2)N(C/C=C/C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,079 | CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,080 | CC(C1=C(C=CC(=C1)OC)OC)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,081 | CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,082 | C1=CC2=C(C=C1C(=O)NC3=CC=NN3CC4=C(C=C(C=C4)Cl)Cl)NC(=N2)C(F)F |
56,461,083 | C1CCC(C1)OC2=CC=CC(=C2)CCC(=O)NC3=C(C=C(C=C3)NC(=O)C4=CC=CO4)C(F)(F)F |
56,461,084 | C1=CC=C(C=C1)/C(=C\C(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(F)(F)F)/C(F)(F)F |
56,461,085 | CCN(CC)CCOC1=CC=CC=C1NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,086 | COC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,087 | COCCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,088 | C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C(C4=CC=CC=C4)N5CCCC5)Cl |
56,461,089 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4 |
56,461,090 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC4=CC=CC=C4C=C3 |
56,461,091 | CC(=O)NCC1=CC=C(S1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,092 | CC(=O)NCC1=CC=C(S1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,093 | CCOC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C)S(=O)(=O)N(C)C |
56,461,094 | CC(C)C(C1=CC=CS1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,095 | CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,096 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC4=C(C=C3)OCCO4 |
56,461,097 | COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NC(=O)CCC3=CC(=CC=C3)OC4CCCC4 |
56,461,098 | COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,099 | C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,100 | CC1=NC2=C(O1)C=C(C=C2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,101 | CCS(=O)(=O)C1=CC=CC=C1NC(=O)CCC2=CC(=CC=C2)OC3CCCC3 |
56,461,102 | CCOC(=O)C1=NN(C(C1)C(=O)N(CCOC)CC2=CC=CO2)C3=CC=CC=C3 |
56,461,103 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=NN=C(S2)C(C)C)C3=CC=CC=C3 |
56,461,104 | CC1=CC=C(C=C1)OCCN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,105 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)NC(=O)C(C)(C)C |
56,461,106 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4 |
56,461,107 | CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,108 | CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,109 | CCN(CC1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3)C(=O)C(F)(F)F |
56,461,110 | CCN(CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C(=O)C(F)(F)F |
56,461,111 | C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,112 | C1=CC2=NN(C(=O)N2C=C1)CC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,113 | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,114 | C1CCOC(C1)COC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,115 | CCN(C1CCS(=O)(=O)C1)C(=O)C2CC(=NN2C3=CC=CC=C3)C(=O)OCC |
56,461,116 | CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,117 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C)(C)C3=CC=CC=C3 |
56,461,118 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4CCCC4 |
56,461,119 | C1CC(=O)N(C1)CC(C2=CC(=CC=C2)C(F)(F)F)NC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,120 | CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,121 | CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC=CN3C |
56,461,122 | CN1C=CN=C1SC2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3Cl |
56,461,123 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)S(=O)(=O)/N=C\4/CCCN4C |
56,461,124 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)/N=C\3/CCCN3C)C4=CC=CC=C4 |
56,461,125 | C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)N |
56,461,126 | CC1=NN=NN1C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)F)F |
56,461,127 | CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC(=O)N(C)C)OCC |
56,461,128 | CN(C)C(=O)SC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-] |
56,461,129 | C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4 |
56,461,130 | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3 |
56,461,131 | CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4 |
56,461,132 | CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4 |
56,461,133 | CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5 |
56,461,140 | CCNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N |
56,461,141 | C1=CC=C(C(=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)OC(F)(F)F |
56,461,142 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl |
56,461,143 | CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,144 | CC1=CC=C(O1)C2=NC(=C(S2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)C |
56,461,145 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCCC2=NC(=NO2)C(C)(C)C |
56,461,146 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N |
56,461,147 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCN2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C |
56,461,148 | CC1=CN2C=C(N=C2C=C1)COC3=CC=CC(=C3)C(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N |
56,461,149 | CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,150 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC2=NC=C(O2)C3=CC=CC=C3Cl |
56,461,151 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl |
56,461,152 | CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N |
56,461,153 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C |
56,461,154 | CCOC1=C(C=CC(=C1)/C=C/C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)OC |
56,461,155 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)COC2=C(C=CC(=C2)Cl)Cl |
56,461,156 | CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,157 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCN2C=NC3=C(C2=O)C4=C(S3)CCCC4 |
56,461,158 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl |
56,461,159 | CC1=C(C(=NN1CC(C)C)C)CCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,160 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3 |
56,461,161 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3 |
56,461,162 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3 |
56,461,163 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CSC2=NC=C(C=C2)C(F)(F)F |
56,461,164 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CC2C(=O)NC3=CC=CC=C3S2 |
56,461,165 | CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,166 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3 |
56,461,167 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3 |
56,461,168 | CC1=C(C=C(C=C1)SCCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)C |
56,461,169 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-] |
56,461,170 | CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,171 | CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,172 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CN2C(=O)COC3=CC=CC=C32 |
56,461,173 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3 |
56,461,174 | CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3=C(C=CC=C3F)N4CCCC4)C(=O)NC1=O |
56,461,175 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4 |
56,461,176 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5 |
56,461,177 | COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4)OC |
56,461,178 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br |
56,461,179 | COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4)NC1=S |
56,461,180 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)/C=C/C3=CC=C(C=C3)Cl |
56,461,181 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5 |