| RI01714151 | pppGpp,2TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O | TMS | 820.9587 | Standard polar | 7016.1997 |
| RI01714150 | pppGpp,2TMS,isomer#2 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O[Si](C)(C)C)C(=O)[NH]1 | TMS | 820.9587 | Standard polar | 6523.5405 |
| RI01714149 | pppGpp,2TMS,isomer#1 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)[NH]C2=O | TMS | 820.9587 | Standard polar | 6675.2646 |
| RI01714148 | pppGpp,3TMS,isomer#7 | JsmolC[Si](C)(C)N(C1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C | TMS | 892.9982 | Semi standard non polar | 4191.9272 |
| RI01714147 | pppGpp,3TMS,isomer#6 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Semi standard non polar | 4160.319 |
| RI01714146 | pppGpp,3TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)([O-])OP(=O)([O-])OC1C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1O | TMS | 892.9982 | Semi standard non polar | 4175.3115 |
| RI01714145 | pppGpp,3TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O[Si](C)(C)C)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Semi standard non polar | 4149.3936 |
| RI01714144 | pppGpp,3TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O | TMS | 892.9982 | Semi standard non polar | 4162.0938 |
| RI01714143 | pppGpp,3TMS,isomer#2 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O | TMS | 892.9982 | Semi standard non polar | 4212.735 |
| RI01714142 | pppGpp,3TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)[NH]1 | TMS | 892.9982 | Semi standard non polar | 4149.077 |
| RI01714141 | pppGpp,2TMS,isomer#7 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C | TMS | 820.9587 | Semi standard non polar | 4181.8076 |
| RI01714140 | pppGpp,2TMS,isomer#6 | JsmolC[Si](C)(C)N(C1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)[NH]1)[Si](C)(C)C | TMS | 820.9587 | Semi standard non polar | 4203.0776 |
| RI01714139 | pppGpp,2TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)([O-])OP(=O)([O-])OC1C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1O | TMS | 820.9587 | Semi standard non polar | 4210.361 |
| RI01714138 | pppGpp,2TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O)C(=O)[NH]1 | TMS | 820.9587 | Semi standard non polar | 4157.2754 |
| RI01714137 | pppGpp,2TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O | TMS | 820.9587 | Semi standard non polar | 4210.832 |
| RI01714136 | pppGpp,2TMS,isomer#2 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O[Si](C)(C)C)C(=O)[NH]1 | TMS | 820.9587 | Semi standard non polar | 4158.8887 |
| RI01714135 | pppGpp,2TMS,isomer#1 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)[NH]C2=O | TMS | 820.9587 | Semi standard non polar | 4268.249 |
| RI01714134 | pppGpp,3TMS,isomer#7 | JsmolC[Si](C)(C)N(C1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C | TMS | 892.9982 | Standard non polar | 4629.2324 |
| RI01714133 | pppGpp,3TMS,isomer#6 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Standard non polar | 4530.0933 |
| RI01714132 | pppGpp,3TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)([O-])OP(=O)([O-])OC1C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1O | TMS | 892.9982 | Standard non polar | 4634.7935 |
| RI01714131 | pppGpp,3TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O[Si](C)(C)C)C(=O)N1[Si](C)(C)C | TMS | 892.9982 | Standard non polar | 4414.6694 |
| RI01714130 | pppGpp,3TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O | TMS | 892.9982 | Standard non polar | 4479.2686 |
| RI01714129 | pppGpp,3TMS,isomer#2 | JsmolC[Si](C)(C)OC1C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC1N1C=NC2=C1N=C(N)N([Si](C)(C)C)C2=O | TMS | 892.9982 | Standard non polar | 4413.7812 |
| RI01714128 | pppGpp,3TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)[NH]1 | TMS | 892.9982 | Standard non polar | 4411.69 |
| RI01714127 | pppGpp,2TMS,isomer#7 | JsmolC[Si](C)(C)NC1=NC2=C(N=CN2C2OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C2O)C(=O)N1[Si](C)(C)C | TMS | 820.9587 | Standard non polar | 4514.813 |