| 1 |
c-c49+c-b60.a-c6+a-b22+a-b25 |
C=CCn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b60 |
triazolium |
CCCCC[N-]OC |
C=CCn1cn[n+](C)c1 |
0.5050523 |
5.671536 |
4.4217687 |
279.84882 |
5.3534822 |
4.857894663958449 |
| 2 |
c-c49+c-b81.a-c6+a-b22+a-b25 |
CCCn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b81 |
triazolium |
CCCCC[N-]OC |
CCCn1cn[n+](C)c1 |
0.4912 |
6.118432 |
4.647667 |
273.64807 |
5.099349 |
4.81925765299754 |
| 3 |
c-c49+c-b10.a-c6+a-b22+a-b25 |
CCn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b10 |
triazolium |
CCCCC[N-]OC |
CCn1cn[n+](C)c1 |
0.4966299 |
5.8723063 |
4.504013 |
283.4951 |
5.119014 |
4.575937700453087 |
| 4 |
c-c140+c-b10.a-c6+a-b22+a-b25 |
CCn1cc[n+](N)n1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c140+c-b10 |
triazolium |
CCCCC[N-]OC |
CCn1cc[n+](N)n1 |
0.44763765 |
5.699606 |
4.4851165 |
290.4446 |
5.747145 |
4.550311274962439 |
| 5 |
c-c140+c-b81.a-c6+a-b22+a-b25 |
CCCn1cc[n+](N)n1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c140+c-b81 |
triazolium |
CCCCC[N-]OC |
CCCn1cc[n+](N)n1 |
0.4429859 |
6.050131 |
4.147773 |
289.67502 |
5.696674 |
4.521388830016719 |
| 6 |
c-c59+c-b81.a-c6+a-b22+a-b25 |
CCCn1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b81 |
triazolium |
CCCCC[N-]OC |
CCCn1c[n+](C)cn1 |
0.45966542 |
6.1732216 |
4.6591763 |
274.61334 |
4.820903 |
4.486974138717672 |
| 7 |
c-c49+c-b30.a-c6+a-b22+a-b25 |
CCCCn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b30 |
triazolium |
CCCCC[N-]OC |
CCCCn1cn[n+](C)c1 |
0.3244829 |
6.2017922 |
4.559802 |
271.0181 |
5.0736156 |
4.160617065056414 |
| 8 |
c-c65+c-b29.a-c6+a-b2+a-b5 |
CC(C)c1ccc[n+](C)c1.N=C(N)N[N-]C(=O)C(F)(F)F |
a-c6+a-b2+a-b5 |
c-c65+c-b29 |
pyridinium |
N=C(N)N[N-]C(=O)C(F)(F)F |
CC(C)c1ccc[n+](C)c1 |
0.7042259 |
6.1281695 |
4.1154757 |
313.55035 |
4.263684 |
4.098831811696142 |
| 9 |
c-c52+c-b10.a-c6+a-b17+a-b21 |
CCCC[n+]1ccn(CC)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c52+c-b10 |
imidazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.57074285 |
6.769787 |
4.3435864 |
254.6773 |
2.3668997 |
4.037280584653337 |
| 10 |
c-c52+c-b10.a-c6+a-b28+a-b35 |
CCCC[n+]1ccn(CC)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c52+c-b10 |
imidazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.56796026 |
6.6311736 |
4.745161 |
256.02118 |
2.444254 |
4.034303261251687 |
| 11 |
c-c52+c-b10.a-c6+a-b20+a-b28 |
CCCC[n+]1ccn(CC)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c52+c-b10 |
imidazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.53985906 |
6.628142 |
4.673829 |
259.45856 |
2.7945037 |
4.029030836743575 |
| 12 |
c-c59+c-b30.a-c6+a-b22+a-b25 |
CCCCn1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b30 |
triazolium |
CCCCC[N-]OC |
CCCCn1c[n+](C)cn1 |
0.33256972 |
6.201666 |
4.6165457 |
271.32495 |
4.809817 |
4.026367887434615 |
| 13 |
c-c49+c-b76.a-c6+a-b22+a-b25 |
COn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b76 |
triazolium |
CCCCC[N-]OC |
COn1cn[n+](C)c1 |
0.42702773 |
5.536454 |
4.905362 |
292.5634 |
5.1175303 |
4.018918908360414 |
| 14 |
c-c140+c-b10.a-c6+a-b5+a-b17 |
CCn1cc[n+](N)n1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c140+c-b10 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.6682502 |
5.6319737 |
4.8172445 |
299.26724 |
3.6984873 |
4.004600894639719 |
| 15 |
c-c49+c-b60.a-c6+a-b21+a-b30 |
C=CCn1cn[n+](C)c1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c49+c-b60 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
C=CCn1cn[n+](C)c1 |
0.44315577 |
5.893881 |
4.3797836 |
293.17044 |
4.967312 |
3.9798247207818087 |
| 16 |
c-c52+c-b10.a-c6+a-b9+a-b17 |
CCCC[n+]1ccn(CC)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c52+c-b10 |
imidazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.5408574 |
6.913375 |
4.292609 |
251.97069 |
2.357746 |
3.979701574138284 |
| 17 |
c-c145+c-b71.a-c6+a-b9+a-b17 |
CCCCCCOC[n+]1ccccc1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c145+c-b71 |
pyridinium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.3869716 |
6.5309057 |
4.8881073 |
265.41528 |
4.068084 |
3.976789417142677 |
| 18 |
c-c93+c-b10.a-c6+a-b22+a-b25 |
CCCC[n+]1ccccn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c93+c-b10 |
pyrazinium |
CCCCC[N-]OC |
CCCC[n+]1ccccn1 |
0.2975626 |
5.796785 |
4.019099 |
283.78427 |
5.55588 |
3.97670334258022 |
| 19 |
c-c71+c-b39.a-c6+a-b17+a-b21 |
CCCC[n+]1cn(COC)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c71+c-b39 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.50575405 |
6.5272827 |
4.375318 |
272.75317 |
3.5622194 |
3.972774999833301 |
| 20 |
c-c140+c-b30.a-c6+a-b22+a-b25 |
CCCCn1cc[n+](N)n1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c140+c-b30 |
triazolium |
CCCCC[N-]OC |
CCCCn1cc[n+](N)n1 |
0.33014482 |
6.1061034 |
3.8027484 |
291.02036 |
5.6543493 |
3.972012585814049 |
| 21 |
c-c140+c-b10.a-c6+a-b13+a-b30 |
CCn1cc[n+](N)n1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c140+c-b10 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
CCn1cc[n+](N)n1 |
0.42911306 |
5.743562 |
3.822869 |
302.55505 |
5.4296565 |
3.934904027633758 |
| 22 |
c-c145+c-b71.a-c6+a-b17+a-b21 |
CCCCCCOC[n+]1ccccc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c145+c-b71 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.3930861 |
6.2404594 |
4.623163 |
268.52505 |
4.0977063 |
3.933112138126577 |
| 23 |
c-c140+c-b10.a-c6+a-b28+a-b35 |
CCn1cc[n+](N)n1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c140+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.6045771 |
5.8671985 |
5.204216 |
299.16565 |
4.023127 |
3.930828806838111 |
| 24 |
c-c65+c-b29.a-c6+a-b22+a-b25 |
CC(C)c1ccc[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c65+c-b29 |
pyridinium |
CCCCC[N-]OC |
CC(C)c1ccc[n+](C)c1 |
0.52483714 |
6.1951184 |
4.5502367 |
330.19916 |
6.017493 |
3.921932225079589 |
| 25 |
c-c145+c-b71.a-c6+a-b22+a-b25 |
CCCCCCOC[n+]1ccccc1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c145+c-b71 |
pyridinium |
CCCCC[N-]OC |
CCCCCCOC[n+]1ccccc1 |
0.088458374 |
5.922771 |
4.2744627 |
259.1513 |
5.7792706 |
3.909723825706549 |
| 26 |
c-c49+c-b10.a-c6+a-b5+a-b17 |
CCn1cn[n+](C)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c49+c-b10 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.6614097 |
5.8919206 |
4.650575 |
287.67575 |
3.0431929 |
3.9048088880847223 |
| 27 |
c-c49+c-b60.a-c6+a-b13+a-b30 |
C=CCn1cn[n+](C)c1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c49+c-b60 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
C=CCn1cn[n+](C)c1 |
0.44668424 |
5.698779 |
3.79438 |
296.07144 |
4.938552 |
3.895435670112725 |
| 28 |
c-c140+c-b10.a-c6+a-b20+a-b28 |
CCn1cc[n+](N)n1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c140+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.5814496 |
5.876593 |
5.174659 |
302.20425 |
4.2642145 |
3.891882789256071 |
| 29 |
c-c52+c-b10.a-c6+a-b17+a-b37 |
CCCC[n+]1ccn(CC)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c52+c-b10 |
imidazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.515103 |
6.917355 |
4.470222 |
256.36414 |
2.5917528 |
3.886809005873332 |
| 30 |
c-c49+c-b60.a-c6+a-b19+a-b26 |
C=CCn1cn[n+](C)c1.c1ccc([N-]c2ccccn2)cc1 |
a-c6+a-b19+a-b26 |
c-c49+c-b60 |
triazolium |
c1ccc([N-]c2ccccn2)cc1 |
C=CCn1cn[n+](C)c1 |
0.5531911 |
5.589412 |
5.016253 |
309.79413 |
4.799521 |
3.88092824222312 |
| 31 |
c-c49+c-b77.a-c6+a-b5+a-b17 |
C[n+]1cn(CC(F)(F)F)cn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c49+c-b77 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.55415785 |
6.50309 |
4.2805076 |
282.4551 |
3.507349 |
3.8731754925788113 |
| 32 |
c-c52+c-b10.a-c6+a-b5+a-b17 |
CCCC[n+]1ccn(CC)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c52+c-b10 |
imidazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.58106285 |
6.6523485 |
4.49174 |
254.57968 |
2.00477 |
3.8643101381019593 |
| 33 |
c-c140+c-b60.a-c6+a-b22+a-b25 |
C=CCn1cc[n+](N)n1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c140+c-b60 |
triazolium |
CCCCC[N-]OC |
C=CCn1cc[n+](N)n1 |
0.37967333 |
5.620177 |
3.858916 |
304.46985 |
5.723333 |
3.846500591208076 |
| 34 |
c-c140+c-b10.a-c6+a-b21+a-b30 |
CCn1cc[n+](N)n1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c140+c-b10 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCn1cc[n+](N)n1 |
0.38093504 |
6.02931 |
4.127184 |
298.95114 |
5.451713 |
3.842972191804076 |
| 35 |
c-c49+c-b30.a-c6+a-b9+a-b17 |
CCCCn1cn[n+](C)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c49+c-b30 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.49548042 |
6.8645883 |
4.688065 |
269.50824 |
3.2605639 |
3.837007956399415 |
| 36 |
c-c140+c-b10.a-c6+a-b17+a-b21 |
CCn1cc[n+](N)n1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c140+c-b10 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.58438575 |
5.7551084 |
4.3017607 |
298.07 |
3.9548314 |
3.833427394807835 |
| 37 |
c-c49+c-b4.a-c6+a-b22+a-b25 |
C[n+]1cn(CCO)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b4 |
triazolium |
CCCCC[N-]OC |
C[n+]1cn(CCO)cn1 |
0.41197857 |
5.9786363 |
4.4345646 |
291.5024 |
4.864751 |
3.8305156249444834 |
| 38 |
c-c49+c-b60.a-c6+a-b17+a-b37 |
C=CCn1cn[n+](C)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c49+c-b60 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.4991027 |
6.348703 |
4.945657 |
280.48587 |
3.7144413 |
3.817878496526459 |
| 39 |
c-c140+c-b10.a-c6+a-b9+a-b17 |
CCn1cc[n+](N)n1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c140+c-b10 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.5862938 |
6.050212 |
4.770068 |
298.8717 |
3.9339123 |
3.806235586828176 |
| 40 |
c-c49+c-b77.a-c6+a-b17+a-b21 |
C[n+]1cn(CC(F)(F)F)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c49+c-b77 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.51009566 |
6.529275 |
4.1737456 |
281.86627 |
3.6760588 |
3.8027893036145137 |
| 41 |
c-c49+c-b10.a-c6+a-b17+a-b37 |
CCn1cn[n+](C)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c49+c-b10 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.5820444 |
6.0603547 |
4.4662266 |
288.3019 |
3.465404 |
3.802231846988097 |
| 42 |
c-c140+c-b81.a-c6+a-b13+a-b30 |
CCCn1cc[n+](N)n1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c140+c-b81 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
CCCn1cc[n+](N)n1 |
0.41190973 |
6.0477242 |
3.4862328 |
302.73032 |
5.321135 |
3.7899438903933897 |
| 43 |
c-c140+c-b10.a-c6+a-b17+a-b37 |
CCn1cc[n+](N)n1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c140+c-b10 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.5629832 |
5.872653 |
4.540276 |
299.8368 |
4.1089134 |
3.785000774657024 |
| 44 |
c-c59+c-b10.a-c6+a-b22+a-b25 |
CCn1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b10 |
triazolium |
CCCCC[N-]OC |
CCn1c[n+](C)cn1 |
0.42349827 |
5.866435 |
4.2039657 |
294.329 |
4.8330984 |
3.780861287835856 |
| 45 |
c-c140+c-b39.a-c6+a-b22+a-b25 |
COCn1cc[n+](N)n1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c140+c-b39 |
triazolium |
CCCCC[N-]OC |
COCn1cc[n+](N)n1 |
0.3521208 |
6.0093074 |
4.4107823 |
298.6056 |
5.536525 |
3.7803144217663913 |
| 46 |
c-c49+c-b81.a-c6+a-b13+a-b30 |
CCCn1cn[n+](C)c1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c49+c-b81 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
CCCn1cn[n+](C)c1 |
0.4464343 |
6.093598 |
4.402792 |
294.6739 |
4.6768713 |
3.774828190198255 |
| 47 |
c-c49+c-b60.a-c6+a-b5+a-b17 |
C=CCn1cn[n+](C)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c49+c-b60 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.556611 |
6.1200566 |
4.8679366 |
280.5251 |
3.2375462 |
3.7743294213271192 |
| 48 |
c-c71+c-b39.a-c6+a-b9+a-b17 |
CCCC[n+]1cn(COC)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c71+c-b39 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.4497566 |
6.747025 |
4.537623 |
270.9862 |
3.5395756 |
3.76804118149685 |
| 49 |
c-c140+c-b81.a-c6+a-b21+a-b30 |
CCCn1cc[n+](N)n1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c140+c-b81 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCCn1cc[n+](N)n1 |
0.3795384 |
6.2844467 |
3.704184 |
299.12244 |
5.343263 |
3.7661872073700393 |
| 50 |
c-c71+c-b10.a-c6+a-b9+a-b17 |
CCCC[n+]1cn(CC)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c71+c-b10 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.45758742 |
6.9069786 |
4.3362904 |
261.80585 |
3.0358975 |
3.755323887495352 |
| 51 |
c-c49+c-b81.a-c6+a-b21+a-b30 |
CCCn1cn[n+](C)c1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c49+c-b81 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCCn1cn[n+](C)c1 |
0.41751596 |
6.391436 |
4.7158456 |
291.91132 |
4.7095494 |
3.748424542289375 |
| 52 |
c-c49+c-b10.a-c6+a-b20+a-b28 |
CCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c49+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.5539212 |
6.0379825 |
5.202645 |
291.30048 |
3.7101965 |
3.745173076961634 |
| 53 |
c-c71+c-b39.a-c6+a-b5+a-b17 |
CCCC[n+]1cn(COC)cn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c71+c-b39 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.50953996 |
6.5495043 |
4.5295196 |
274.1023 |
3.2180417 |
3.741661694840616 |
| 54 |
c-c93+c-b10.a-c6+a-b9+a-b17 |
CCCC[n+]1ccccn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c93+c-b10 |
pyrazinium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.5070097 |
6.2013726 |
4.0436473 |
287.8652 |
3.8685207 |
3.736757951236565 |
| 55 |
c-c49+c-b81.a-c6+a-b19+a-b26 |
CCCn1cn[n+](C)c1.c1ccc([N-]c2ccccn2)cc1 |
a-c6+a-b19+a-b26 |
c-c49+c-b81 |
triazolium |
c1ccc([N-]c2ccccn2)cc1 |
CCCn1cn[n+](C)c1 |
0.5289631 |
5.8972273 |
5.4953556 |
305.06424 |
4.5097117 |
3.734333926994959 |
| 56 |
c-c49+c-b39.a-c6+a-b22+a-b25 |
COCn1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b39 |
triazolium |
CCCCC[N-]OC |
COCn1cn[n+](C)c1 |
0.32809785 |
6.0255823 |
4.1267533 |
290.8547 |
5.2617927 |
3.7292531360458314 |
| 57 |
c-c52+c-b10.a-c6+a-b18+a-b20 |
CCCC[n+]1ccn(CC)c1.O=S(=O)([N-]C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b18+a-b20 |
c-c52+c-b10 |
imidazolium |
O=S(=O)([N-]C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.50735384 |
6.914845 |
5.0579305 |
251.85165 |
2.1698658 |
3.7246834992871194 |
| 58 |
c-c49+c-b10.a-c6+a-b28+a-b35 |
CCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c49+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.5684461 |
6.041071 |
5.2312064 |
287.63208 |
3.3998013 |
3.722789016334741 |
| 59 |
c-c93+c-b10.a-c6+a-b2+a-b5 |
CCCC[n+]1ccccn1.N=C(N)N[N-]C(=O)C(F)(F)F |
a-c6+a-b2+a-b5 |
c-c93+c-b10 |
pyrazinium |
N=C(N)N[N-]C(=O)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.47910544 |
5.7314987 |
4.064104 |
287.33875 |
4.012712 |
3.719232395513646 |
| 60 |
c-c49+c-b81.a-c6+a-b10+a-b13 |
CCCn1cn[n+](C)c1.CCCCCCCCCC[N-]CCCCCC |
a-c6+a-b10+a-b13 |
c-c49+c-b81 |
triazolium |
CCCCCCCCCC[N-]CCCCCC |
CCCn1cn[n+](C)c1 |
0.41200456 |
6.202082 |
4.429366 |
288.45795 |
4.539005 |
3.718752118121029 |
| 61 |
c-c71+c-b39.a-c6+a-b22+a-b25 |
CCCC[n+]1cn(COC)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c71+c-b39 |
triazolium |
CCCCC[N-]OC |
CCCC[n+]1cn(COC)cn1 |
0.15143372 |
6.159805 |
4.311836 |
266.7489 |
5.3705273 |
3.717252178038867 |
| 62 |
c-c49+c-b77.a-c6+a-b17+a-b37 |
C[n+]1cn(CC(F)(F)F)cn1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c49+c-b77 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.47293162 |
6.7360706 |
4.1451707 |
282.96194 |
3.8485293 |
3.716707268103536 |
| 63 |
c-c49+c-b10.a-c6+a-b21+a-b30 |
CCn1cn[n+](C)c1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c49+c-b10 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCn1cn[n+](C)c1 |
0.4436567 |
6.2642674 |
4.4780245 |
297.89304 |
4.7399225 |
3.71011331526099 |
| 64 |
c-c49+c-b30.a-c6+a-b5+a-b17 |
CCCCn1cn[n+](C)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c49+c-b30 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.5226607 |
6.6126504 |
4.6943583 |
272.10446 |
2.978111 |
3.7087995697711498 |
| 65 |
c-c145+c-b71.a-c6+a-b5+a-b17 |
CCCCCCOC[n+]1ccccc1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c145+c-b71 |
pyridinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.405238 |
6.25414 |
4.508071 |
270.10837 |
3.7163925 |
3.7087971501802657 |
| 66 |
c-c71+c-b60.a-c6+a-b9+a-b17 |
C=CCn1cn[n+](CCCC)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c71+c-b60 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
C=CCn1cn[n+](CCCC)c1 |
0.4502742 |
6.6876326 |
4.7949862 |
270.27774 |
3.40345 |
3.707563796001709 |
| 67 |
c-c49+c-b30.a-c6+a-b17+a-b21 |
CCCCn1cn[n+](C)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c49+c-b30 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.47058594 |
6.6529226 |
4.688843 |
270.8591 |
3.2752175 |
3.700564930963242 |
| 68 |
c-c49+c-b60.a-c6+a-b10+a-b13 |
C=CCn1cn[n+](C)c1.CCCCCCCCCC[N-]CCCCCC |
a-c6+a-b10+a-b13 |
c-c49+c-b60 |
triazolium |
CCCCCCCCCC[N-]CCCCCC |
C=CCn1cn[n+](C)c1 |
0.3969708 |
5.8354683 |
4.026576 |
293.11774 |
4.825537 |
3.6963865404889886 |
| 69 |
c-c49+c-b10.a-c6+a-b13+a-b30 |
CCn1cn[n+](C)c1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c49+c-b10 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
CCn1cn[n+](C)c1 |
0.4672141 |
5.915074 |
4.1750574 |
301.35 |
4.7076306 |
3.6940337389722058 |
| 70 |
c-c49+c-b60.a-c6+a-b7+a-b15 |
C=CCn1cn[n+](C)c1.CC[N-]c1ccccc1O |
a-c6+a-b7+a-b15 |
c-c49+c-b60 |
triazolium |
CC[N-]c1ccccc1O |
C=CCn1cn[n+](C)c1 |
0.5563711 |
5.7829885 |
3.568701 |
318.39474 |
4.856609 |
3.685946111389964 |
| 71 |
c-c93+c-b10.a-c6+a-b21+a-b30 |
CCCC[n+]1ccccn1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c93+c-b10 |
pyrazinium |
CC(=O)[N-]C1CCCCC1 |
CCCC[n+]1ccccn1 |
0.3497267 |
6.080203 |
3.918435 |
295.33713 |
5.230264 |
3.676320957211914 |
| 72 |
c-c71+c-b60.a-c6+a-b22+a-b25 |
C=CCn1cn[n+](CCCC)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c71+c-b60 |
triazolium |
CCCCC[N-]OC |
C=CCn1cn[n+](CCCC)c1 |
0.20280497 |
6.14718 |
4.500652 |
273.2638 |
5.2410197 |
3.6752326639793074 |
| 73 |
c-c49+c-b81.a-c6+a-b7+a-b15 |
CCCn1cn[n+](C)c1.CC[N-]c1ccccc1O |
a-c6+a-b7+a-b15 |
c-c49+c-b81 |
triazolium |
CC[N-]c1ccccc1O |
CCCn1cn[n+](C)c1 |
0.5535266 |
6.012544 |
4.20308 |
313.32755 |
4.622808 |
3.674961753835887 |
| 74 |
c-c145+c-b71.a-c23+a-b3+a-b18 |
CCCCCCOC[n+]1ccccc1.CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
a-c23+a-b3+a-b18 |
c-c145+c-b71 |
pyridinium |
CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.35068786 |
6.308094 |
4.5256834 |
274.47305 |
4.249032 |
3.674346286988087 |
| 75 |
c-c49+c-b10.a-c6+a-b19+a-b26 |
CCn1cn[n+](C)c1.c1ccc([N-]c2ccccn2)cc1 |
a-c6+a-b19+a-b26 |
c-c49+c-b10 |
triazolium |
c1ccc([N-]c2ccccn2)cc1 |
CCn1cn[n+](C)c1 |
0.5785123 |
5.6428394 |
5.2862134 |
316.1972 |
4.5773177 |
3.673624067633208 |
| 76 |
c-c59+c-b28.a-c6+a-b22+a-b25 |
C=CCCn1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b28 |
triazolium |
CCCCC[N-]OC |
C=CCCn1c[n+](C)cn1 |
0.37091678 |
5.878495 |
4.014077 |
285.64417 |
4.623254 |
3.67278013858366 |
| 77 |
c-c140+c-b10.a-c6+a-b13+a-b27 |
CCn1cc[n+](N)n1.CCCCCCCCCCCC[N-]CCCCCC |
a-c6+a-b13+a-b27 |
c-c140+c-b10 |
triazolium |
CCCCCCCCCCCC[N-]CCCCCC |
CCn1cc[n+](N)n1 |
0.36488923 |
5.725029 |
3.9833086 |
299.3964 |
5.304752 |
3.6719855061112456 |
| 78 |
c-c52+c-b10.a-c6+a-b3+a-b17 |
CCCC[n+]1ccn(CC)c1.CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b3+a-b17 |
c-c52+c-b10 |
imidazolium |
CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.5484854 |
6.5001483 |
4.5975304 |
244.23218 |
1.4367021 |
3.6715915799927217 |
| 79 |
c-c71+c-b10.a-c6+a-b17+a-b21 |
CCCC[n+]1cn(CC)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c71+c-b10 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.46053177 |
6.801583 |
4.377359 |
265.6586 |
3.056507 |
3.6715018281353 |
| 80 |
c-c49+c-b60.a-c6+a-b17+a-b21 |
C=CCn1cn[n+](C)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c49+c-b60 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.47539058 |
6.194168 |
4.6103964 |
279.0391 |
3.5691335 |
3.668445724123022 |
| 81 |
c-c137+c-b76.a-c6+a-b9+a-b17 |
COC[n+]1nn(C)c2ccccc21.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c137+c-b76 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
COC[n+]1nn(C)c2ccccc21 |
0.55795425 |
6.2971416 |
4.818859 |
289.03915 |
3.4493976 |
3.667974792928275 |
| 82 |
c-c140+c-b10.a-c6+a-b10+a-b13 |
CCn1cc[n+](N)n1.CCCCCCCCCC[N-]CCCCCC |
a-c6+a-b10+a-b13 |
c-c140+c-b10 |
triazolium |
CCCCCCCCCC[N-]CCCCCC |
CCn1cc[n+](N)n1 |
0.36599618 |
5.7150593 |
4.0279226 |
299.3964 |
5.289627 |
3.667554313489252 |
| 83 |
c-c93+c-b10.a-c6+a-b17+a-b21 |
CCCC[n+]1ccccn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c93+c-b10 |
pyrazinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.50018734 |
5.7714334 |
3.82855 |
289.64972 |
3.8853507 |
3.667134691769693 |
| 84 |
c-c80+c-b39.a-c6+a-b17+a-b21 |
CCCCCCC[n+]1cn(COC)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c80+c-b39 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCC[n+]1cn(COC)cn1 |
0.4914976 |
6.5312734 |
4.166442 |
275.55948 |
3.2909758 |
3.667125411908703 |
| 85 |
c-c140+c-b81.a-c6+a-b10+a-b13 |
CCCn1cc[n+](N)n1.CCCCCCCCCC[N-]CCCCCC |
a-c6+a-b10+a-b13 |
c-c140+c-b81 |
triazolium |
CCCCCCCCCC[N-]CCCCCC |
CCCn1cc[n+](N)n1 |
0.3794836 |
6.13148 |
3.5219097 |
299.19116 |
5.1807117 |
3.665190471073792 |
| 86 |
c-c49+c-b10.a-c6+a-b17+a-b21 |
CCn1cn[n+](C)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c49+c-b10 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.5593978 |
6.037001 |
4.3275056 |
286.42117 |
3.3116314 |
3.6645181170131886 |
| 87 |
c-c140+c-b81.a-c6+a-b13+a-b27 |
CCCn1cc[n+](N)n1.CCCCCCCCCCCC[N-]CCCCCC |
a-c6+a-b13+a-b27 |
c-c140+c-b81 |
triazolium |
CCCCCCCCCCCC[N-]CCCCCC |
CCCn1cc[n+](N)n1 |
0.37706697 |
6.145745 |
3.4853663 |
299.19116 |
5.1958365 |
3.663985727119041 |
| 88 |
c-c49+c-b60.a-c6+a-b2+a-b5 |
C=CCn1cn[n+](C)c1.N=C(N)N[N-]C(=O)C(F)(F)F |
a-c6+a-b2+a-b5 |
c-c49+c-b60 |
triazolium |
N=C(N)N[N-]C(=O)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.49542847 |
6.2341866 |
4.83287 |
284.24527 |
3.657151 |
3.66086090901623 |
| 89 |
c-c145+c-b71.a-c6+a-b20+a-b28 |
CCCCCCOC[n+]1ccccc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c145+c-b71 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.31766707 |
6.2734103 |
4.9136014 |
273.16763 |
4.392739 |
3.656551305335368 |
| 90 |
c-c49+c-b30.a-c6+a-b28+a-b35 |
CCCCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c49+c-b30 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.46319273 |
6.59999 |
5.350196 |
272.2758 |
3.3205278 |
3.656206779189805 |
| 91 |
c-c49+c-b81.a-c6+a-b13+a-b27 |
CCCn1cn[n+](C)c1.CCCCCCCCCCCC[N-]CCCCCC |
a-c6+a-b13+a-b27 |
c-c49+c-b81 |
triazolium |
CCCCCCCCCCCC[N-]CCCCCC |
CCCn1cn[n+](C)c1 |
0.39736485 |
6.217919 |
4.383937 |
288.45795 |
4.5390997 |
3.655812086795538 |
| 92 |
c-c52+c-b10.a-c6+a-b17+a-b28 |
CCCC[n+]1ccn(CC)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b28 |
c-c52+c-b10 |
imidazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.460122 |
6.680357 |
4.2567015 |
254.02373 |
2.480898 |
3.6490515106226535 |
| 93 |
c-c145+c-b71.a-c6+a-b17+a-b37 |
CCCCCCOC[n+]1ccccc1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c145+c-b71 |
pyridinium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.31413332 |
6.5653586 |
4.897971 |
269.9408 |
4.2522044 |
3.647221945007185 |
| 94 |
c-c93+c-b10.a-c6+a-b20+a-b28 |
CCCC[n+]1ccccn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c93+c-b10 |
pyrazinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.48659047 |
5.9090853 |
4.1291685 |
295.5099 |
4.2197843 |
3.6461048252166255 |
| 95 |
c-c140+c-b30.a-c6+a-b9+a-b17 |
CCCCn1cc[n+](N)n1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c140+c-b30 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1cc[n+](N)n1 |
0.52790815 |
6.6500587 |
4.273753 |
293.7907 |
3.843248 |
3.643651384679258 |
| 96 |
c-c140+c-b30.a-c6+a-b17+a-b21 |
CCCCn1cc[n+](N)n1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c140+c-b30 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1cc[n+](N)n1 |
0.53618973 |
6.3974047 |
4.147054 |
295.5757 |
3.8609939 |
3.639566601153619 |
| 97 |
c-c145+c-b71.a-c6+a-b28+a-b35 |
CCCCCCOC[n+]1ccccc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c145+c-b71 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.33593106 |
6.2684436 |
4.9396286 |
270.56842 |
4.107415 |
3.6352435361725153 |
| 98 |
c-c49+c-b60.a-c6+a-b13+a-b27 |
C=CCn1cn[n+](C)c1.CCCCCCCCCCCC[N-]CCCCCC |
a-c6+a-b13+a-b27 |
c-c49+c-b60 |
triazolium |
CCCCCCCCCCCC[N-]CCCCCC |
C=CCn1cn[n+](C)c1 |
0.38245636 |
5.8479204 |
3.991937 |
293.11774 |
4.825632 |
3.63398575340194 |
| 99 |
c-c93+c-b10.a-c6+a-b28+a-b35 |
CCCC[n+]1ccccn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c93+c-b10 |
pyrazinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.50489104 |
5.902833 |
4.174904 |
291.92636 |
3.9028027 |
3.6335630226424422 |
| 100 |
c-c49+c-b60.a-c6+a-b20+a-b28 |
C=CCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c49+c-b60 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.44539377 |
6.1950445 |
5.365534 |
284.29565 |
3.9650779 |
3.63131744699358 |
| 101 |
c-c140+c-b81.a-c6+a-b7+a-b15 |
CCCn1cc[n+](N)n1.CC[N-]c1ccccc1O |
a-c6+a-b7+a-b15 |
c-c140+c-b81 |
triazolium |
CC[N-]c1ccccc1O |
CCCn1cc[n+](N)n1 |
0.52812785 |
5.9910474 |
3.137956 |
324.85315 |
5.2653003 |
3.630103793431633 |
| 102 |
c-c59+c-b35.a-c6+a-b22+a-b25 |
CCC(C)n1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b35 |
triazolium |
CCCCC[N-]OC |
CCC(C)n1c[n+](C)cn1 |
0.41938725 |
6.2018304 |
4.7561545 |
302.70737 |
4.9945617 |
3.624243801095537 |
| 103 |
c-c71+c-b39.a-c6+a-b28+a-b35 |
CCCC[n+]1cn(COC)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c71+c-b39 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.43031535 |
6.531359 |
4.9102645 |
274.4044 |
3.5983078 |
3.62336094880851 |
| 104 |
c-c49+c-b10.a-c6+a-b9+a-b17 |
CCn1cn[n+](C)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c49+c-b10 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCn1cn[n+](C)c1 |
0.5579765 |
6.262916 |
4.670684 |
287.48132 |
3.3006678 |
3.62173815182482 |
| 105 |
c-c71+c-b10.a-c6+a-b5+a-b17 |
CCCC[n+]1cn(CC)cn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c71+c-b10 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.4930016 |
6.7166877 |
4.4298425 |
266.2555 |
2.7724254 |
3.6216398904110014 |
| 106 |
c-c137+c-b10.a-c6+a-b9+a-b17 |
CCC[n+]1nn(C)c2ccccc21.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c137+c-b10 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCC[n+]1nn(C)c2ccccc21 |
0.5083119 |
6.679521 |
3.8734882 |
280.2785 |
3.3076775 |
3.616100180142284 |
| 107 |
c-c49+c-b30.a-c6+a-b20+a-b28 |
CCCCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c49+c-b30 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.4373013 |
6.60194 |
5.3352685 |
276.73013 |
3.6446698 |
3.6157958051178847 |
| 108 |
c-c145+c-b71.a-c9+a-b17 |
CCCCCCOC[n+]1ccccc1.O=S(=O)([O-])NS(=O)(=O)C(F)(F)F |
a-c9+a-b17 |
c-c145+c-b71 |
pyridinium |
O=S(=O)([O-])NS(=O)(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.3960657 |
5.7366304 |
3.9314904 |
268.25354 |
3.5391238 |
3.614049653614763 |
| 109 |
c-c52+c-b10.a-c6+a-b3+a-b18 |
CCCC[n+]1ccn(CC)c1.CC(F)(F)S(=O)(=O)[N-]C(F)(F)F |
a-c6+a-b3+a-b18 |
c-c52+c-b10 |
imidazolium |
CC(F)(F)S(=O)(=O)[N-]C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.472123 |
7.194191 |
4.160841 |
253.22148 |
2.292572 |
3.608910378399947 |
| 110 |
c-c49+c-b60.a-c6+a-b9+a-b17 |
C=CCn1cn[n+](C)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c49+c-b60 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.4577233 |
6.3572693 |
4.9152675 |
278.15063 |
3.554809 |
3.608852842455943 |
| 111 |
c-c140+c-b10.a-c6+a-b7+a-b15 |
CCn1cc[n+](N)n1.CC[N-]c1ccccc1O |
a-c6+a-b7+a-b15 |
c-c140+c-b10 |
triazolium |
CC[N-]c1ccccc1O |
CCn1cc[n+](N)n1 |
0.5084238 |
5.6418667 |
3.2532642 |
324.9487 |
5.3723025 |
3.607657130275869 |
| 112 |
c-c49+c-b60.a-c6+a-b28+a-b35 |
C=CCn1cn[n+](C)c1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c49+c-b60 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
C=CCn1cn[n+](C)c1 |
0.45903054 |
6.1919303 |
5.4037166 |
280.5224 |
3.6434884 |
3.6012734023648494 |
| 113 |
c-c80+c-b39.a-c6+a-b22+a-b25 |
CCCCCCC[n+]1cn(COC)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c80+c-b39 |
triazolium |
CCCCC[N-]OC |
CCCCCCC[n+]1cn(COC)cn1 |
0.12686801 |
6.184384 |
4.142234 |
264.301 |
5.23871 |
3.6006761057266585 |
| 114 |
c-c44+c-b39+c-b81.a-c6+a-b17+a-b21 |
CCCCC[N+](=COCOC)CC.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c44+c-b39+c-b81 |
secondaryammonium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCC[N+](=COCOC)CC |
0.5836048 |
5.4997754 |
3.6050901 |
265.83408 |
2.0728843 |
3.5981913043324547 |
| 115 |
c-c59+c-b30.a-c6+a-b17+a-b21 |
CCCCn1c[n+](C)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c59+c-b30 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.4898028 |
6.6738496 |
4.736397 |
272.13586 |
3.0259748 |
3.5956137542891167 |
| 116 |
c-c145+c-b71.a-c16+a-b5+a-b8+a-b9+a-b15 |
CCCCCCOC[n+]1ccccc1.CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
a-c16+a-b5+a-b8+a-b9+a-b15 |
c-c145+c-b71 |
pyridinium |
CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.39826244 |
5.8323455 |
4.503432 |
256.39624 |
2.935906 |
3.59232611829534 |
| 117 |
c-c59+c-b30.a-c6+a-b5+a-b17 |
CCCCn1c[n+](C)cn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c59+c-b30 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.53480744 |
6.635837 |
4.8374863 |
274.26218 |
2.7995336 |
3.5914538698746266 |
| 118 |
c-c49+c-b77.a-c6+a-b28+a-b35 |
C[n+]1cn(CC(F)(F)F)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c49+c-b77 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.46419364 |
6.489328 |
4.635556 |
283.0428 |
3.7076797 |
3.591194200507565 |
| 119 |
c-c49+c-b30.a-c6+a-b17+a-b37 |
CCCCn1cn[n+](C)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c49+c-b30 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCCn1cn[n+](C)c1 |
0.4312867 |
6.9083285 |
4.9713206 |
271.6768 |
3.4104035 |
3.590494818220399 |
| 120 |
c-c133+c-b71+c-b76.a-c6+a-b17+a-b21 |
CCCCCCc1cc[n+](CCOC)cc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c133+c-b71+c-b76 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCc1cc[n+](CCOC)cc1 |
0.434235 |
6.3321004 |
3.7346365 |
271.2818 |
3.3707185 |
3.59023435951788 |
| 121 |
c-c72+c-b29.a-c6+a-b22+a-b25 |
CC(C)C[n+]1ccn(C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c72+c-b29 |
imidazolium |
CCCCC[N-]OC |
CC(C)C[n+]1ccn(C)c1 |
0.44816166 |
6.4843535 |
4.793213 |
293.28647 |
4.289961 |
3.586315176129746 |
| 122 |
c-c49+c-b77.a-c6+a-b9+a-b17 |
C[n+]1cn(CC(F)(F)F)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c49+c-b77 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.4625129 |
6.695674 |
4.141886 |
281.73343 |
3.6469169 |
3.5840745142302426 |
| 123 |
c-c49+c-b29.a-c6+a-b22+a-b25 |
CC(C)n1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b29 |
triazolium |
CCCCC[N-]OC |
CC(C)n1cn[n+](C)c1 |
0.51253444 |
6.320152 |
5.0260353 |
322.1908 |
5.1742315 |
3.582976962621792 |
| 124 |
c-c49+c-b80.a-c6+a-b22+a-b25 |
CC(C)n1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b80 |
triazolium |
CCCCC[N-]OC |
CC(C)n1cn[n+](C)c1 |
0.51253444 |
6.320152 |
5.0260353 |
322.1908 |
5.1742315 |
3.582976962621792 |
| 125 |
c-c71+c-b10.a-c6+a-b28+a-b35 |
CCCC[n+]1cn(CC)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c71+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.4466188 |
6.606123 |
4.9212127 |
266.71112 |
3.0581536 |
3.582849464717151 |
| 126 |
c-c93+c-b10.a-c6+a-b5+a-b17 |
CCCC[n+]1ccccn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c93+c-b10 |
pyrazinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCC[n+]1ccccn1 |
0.54049635 |
5.6475887 |
3.482568 |
291.87967 |
3.5612853 |
3.5804895589034964 |
| 127 |
c-c49+c-b6.a-c6+a-b22+a-b25 |
C[n+]1cn(CCN)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b6 |
triazolium |
CCCCC[N-]OC |
C[n+]1cn(CCN)cn1 |
0.34140205 |
5.955549 |
4.0584216 |
294.43332 |
5.0889773 |
3.5801839229562757 |
| 128 |
c-c79+c-b39.a-c6+a-b17+a-b21 |
COCCC[n+]1c(C)cc(C)n1C.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c79+c-b39 |
pyrazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COCCC[n+]1c(C)cc(C)n1C |
0.60920537 |
6.3114133 |
4.2531385 |
278.19067 |
2.4295104 |
3.575498612543484 |
| 129 |
c-c59+c-b30.a-c6+a-b17+a-b37 |
CCCCn1c[n+](C)cn1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c59+c-b30 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.46227977 |
6.9134636 |
5.0921955 |
273.35556 |
3.239266 |
3.572324509437728 |
| 130 |
c-c71+c-b10.a-c6+a-b17+a-b37 |
CCCC[n+]1cn(CC)cn1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c71+c-b10 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.42804843 |
6.909042 |
4.5868483 |
267.37234 |
3.1976836 |
3.569048480202082 |
| 131 |
c-c84+c-b10.a-c6+a-b20+a-b28 |
CCCC[n+]1ccc(CC)cc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c84+c-b10 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.41236618 |
6.495848 |
3.912323 |
284.28766 |
4.095195 |
3.568518537367828 |
| 132 |
c-c71+c-b60.a-c6+a-b17+a-b21 |
C=CCn1cn[n+](CCCC)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c71+c-b60 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
C=CCn1cn[n+](CCCC)c1 |
0.432831 |
6.5406165 |
4.6121583 |
273.12277 |
3.4270983 |
3.566372696442964 |
| 133 |
c-c49+c-b77.a-c6+a-b20+a-b28 |
C[n+]1cn(CC(F)(F)F)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c49+c-b77 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
C[n+]1cn(CC(F)(F)F)cn1 |
0.43993703 |
6.4965043 |
4.623922 |
287.2759 |
4.035098 |
3.566069998531351 |
| 134 |
c-c21+c-b10+c-b39+c-b60.a-c6+a-b17+a-b21 |
C=CCn1cc(COC)[n+](CCC)c1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c21+c-b10+c-b39+c-b60 |
imidazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
C=CCn1cc(COC)[n+](CCC)c1 |
0.53429544 |
6.295253 |
5.058861 |
267.07617 |
2.4263008 |
3.565700952600612 |
| 135 |
c-c49+c-b35.a-c6+a-b22+a-b25 |
CCC(C)n1cn[n+](C)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c49+c-b35 |
triazolium |
CCCCC[N-]OC |
CCC(C)n1cn[n+](C)c1 |
0.38797805 |
6.3581085 |
5.026215 |
303.5654 |
5.1550436 |
3.5623624936217144 |
| 136 |
c-c140+c-b30.a-c6+a-b5+a-b17 |
CCCCn1cc[n+](N)n1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c140+c-b30 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCCn1cc[n+](N)n1 |
0.5643026 |
6.395258 |
4.3974466 |
296.5084 |
3.577315 |
3.5616984989044687 |
| 137 |
c-c18+c-b46.a-c6+a-b9+a-b17 |
Cc1ccc(C[n+]2ccccc2)cc1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c18+c-b46 |
pyridinium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
Cc1ccc(C[n+]2ccccc2)cc1 |
0.6432163 |
6.300706 |
4.604035 |
322.5447 |
4.2298656 |
3.5612245755804715 |
| 138 |
c-c52+c-b10.a-c16+a-b5+a-b8+a-b9+a-b15 |
CCCC[n+]1ccn(CC)c1.CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
a-c16+a-b5+a-b8+a-b9+a-b15 |
c-c52+c-b10 |
imidazolium |
CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.44558463 |
5.927476 |
4.6004987 |
231.8284 |
1.4055959 |
3.5608677769822656 |
| 139 |
c-c113+c-b39+c-b53.a-c6+a-b22+a-b25 |
COC[N+]1(c2cccnc2)CCCCC1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c113+c-b39+c-b53 |
piperidinium |
CCCCC[N-]OC |
COC[N+]1(c2cccnc2)CCCCC1 |
0.2619606 |
5.9568095 |
3.2759895 |
269.27634 |
4.447772 |
3.5604017094683584 |
| 140 |
c-c93+c-b76.a-c6+a-b17+a-b21 |
COCC[n+]1ccccn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c93+c-b76 |
pyrazinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COCC[n+]1ccccn1 |
0.44819546 |
5.6288614 |
3.9952734 |
275.04388 |
3.3960705 |
3.559265512056764 |
| 141 |
c-c52+c-b10.a-c6+a-b23+a-b35 |
CCCC[n+]1ccn(CC)c1.O=S(=O)([N-]CC(F)(F)F)C(F)(F)C(F)(F)F |
a-c6+a-b23+a-b35 |
c-c52+c-b10 |
imidazolium |
O=S(=O)([N-]CC(F)(F)F)C(F)(F)C(F)(F)F |
CCCC[n+]1ccn(CC)c1 |
0.46039328 |
6.8865924 |
4.7898583 |
256.43246 |
2.440744 |
3.5576493225734627 |
| 142 |
c-c71+c-b81.a-c6+a-b9+a-b17 |
CCCC[n+]1cn(CCC)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c71+c-b81 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(CCC)cn1 |
0.44627818 |
6.9037747 |
4.397743 |
267.06195 |
3.035248 |
3.5575317925599865 |
| 143 |
c-c71+c-b10.a-c6+a-b20+a-b28 |
CCCC[n+]1cn(CC)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c71+c-b10 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1cn(CC)cn1 |
0.42006248 |
6.6097736 |
4.8921547 |
270.60413 |
3.3797617 |
3.5539205719486624 |
| 144 |
c-c49+c-b76.a-c6+a-b21+a-b30 |
COn1cn[n+](C)c1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c49+c-b76 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
COn1cn[n+](C)c1 |
0.38602716 |
5.781762 |
4.7242208 |
296.3066 |
4.8057103 |
3.547006191459898 |
| 145 |
c-c111+c-b39+c-b74.a-c6+a-b5+a-b17 |
COCc1ccc2cccc[n+]2c1C(C)=O.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c111+c-b39+c-b74 |
pyridinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
COCc1ccc2cccc[n+]2c1C(C)=O |
0.59972733 |
5.935485 |
4.798186 |
290.58066 |
3.0231783 |
3.5450103141046347 |
| 146 |
c-c140+c-b10.a-c6+a-b19+a-b26 |
CCn1cc[n+](N)n1.c1ccc([N-]c2ccccn2)cc1 |
a-c6+a-b19+a-b26 |
c-c140+c-b10 |
triazolium |
c1ccc([N-]c2ccccn2)cc1 |
CCn1cc[n+](N)n1 |
0.526764 |
5.560914 |
5.247835 |
325.96432 |
5.186407 |
3.5448322800735004 |
| 147 |
c-c84+c-b10.a-c6+a-b2+a-b5 |
CCCC[n+]1ccc(CC)cc1.N=C(N)N[N-]C(=O)C(F)(F)F |
a-c6+a-b2+a-b5 |
c-c84+c-b10 |
pyridinium |
N=C(N)N[N-]C(=O)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.36291835 |
6.285615 |
4.399632 |
273.34695 |
3.8924437 |
3.542068522378345 |
| 148 |
c-c137+c-b76.a-c6+a-b17+a-b21 |
COC[n+]1nn(C)c2ccccc21.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c137+c-b76 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COC[n+]1nn(C)c2ccccc21 |
0.53092706 |
6.0912642 |
4.447843 |
289.43198 |
3.4501886 |
3.5410363730960155 |
| 149 |
c-c71+c-b39.a-c6+a-b17+a-b37 |
CCCC[n+]1cn(COC)cn1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c71+c-b39 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.3993301 |
6.843858 |
4.5157614 |
274.4664 |
3.6826167 |
3.5395229309587046 |
| 150 |
c-c84+c-b10.a-c6+a-b28+a-b35 |
CCCC[n+]1ccc(CC)cc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c84+c-b10 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.42992586 |
6.501413 |
3.978322 |
280.5686 |
3.748381 |
3.538487955771512 |
| 151 |
c-c71+c-b39.a-c6+a-b20+a-b28 |
CCCC[n+]1cn(COC)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c71+c-b39 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.40111265 |
6.534859 |
4.913096 |
279.27042 |
3.8891335 |
3.5367980964707195 |
| 152 |
c-c84+c-b10.a-c6+a-b17+a-b21 |
CCCC[n+]1ccc(CC)cc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c84+c-b10 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.43311858 |
6.606903 |
3.873349 |
280.37863 |
3.7128806 |
3.5360214267595023 |
| 153 |
c-c145+c-b71.a-c6+a-b3+a-b17 |
CCCCCCOC[n+]1ccccc1.CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b3+a-b17 |
c-c145+c-b71 |
pyridinium |
CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.40069458 |
6.103055 |
4.456331 |
259.39062 |
2.961355 |
3.5335311013773083 |
| 154 |
c-c59+c-b50.a-c6+a-b22+a-b25 |
C=Cc1ccc(-n2c[n+](C)cn2)cc1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b50 |
triazolium |
CCCCC[N-]OC |
C=Cc1ccc(-n2c[n+](C)cn2)cc1 |
0.29023227 |
5.530913 |
4.3273478 |
305.65924 |
5.896195 |
3.5330460932766425 |
| 155 |
c-c71+c-b60.a-c6+a-b17+a-b37 |
C=CCn1cn[n+](CCCC)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c71+c-b60 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
C=CCn1cn[n+](CCCC)c1 |
0.41679862 |
6.7376146 |
4.792555 |
274.6341 |
3.5559633 |
3.5329543659695144 |
| 156 |
c-c113+c-b39+c-b53.a-c6+a-b21+a-b30 |
COC[N+]1(c2cccnc2)CCCCC1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c113+c-b39+c-b53 |
piperidinium |
CC(=O)[N-]C1CCCCC1 |
COC[N+]1(c2cccnc2)CCCCC1 |
0.31931448 |
6.1361313 |
3.0716298 |
275.63892 |
4.2882447 |
3.5301875943600947 |
| 157 |
c-c59+c-b60.a-c6+a-b22+a-b25 |
C=CCn1c[n+](C)cn1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b60 |
triazolium |
CCCCC[N-]OC |
C=CCn1c[n+](C)cn1 |
0.44895503 |
5.64725 |
3.8779871 |
305.3253 |
4.751422 |
3.5295938171609875 |
| 158 |
c-c140+c-b10.a-c23+a-b3+a-b18 |
CCn1cc[n+](N)n1.CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
a-c23+a-b3+a-b18 |
c-c140+c-b10 |
triazolium |
CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
CCn1cc[n+](N)n1 |
0.51242125 |
5.8881555 |
4.787794 |
300.5583 |
4.0776 |
3.527970687358434 |
| 159 |
c-c71+c-b39.a-c16+a-b5+a-b8+a-b9+a-b15 |
CCCC[n+]1cn(COC)cn1.CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
a-c16+a-b5+a-b8+a-b9+a-b15 |
c-c71+c-b39 |
triazolium |
CCO[B-](OC(=O)O)(OC(=O)CF)OC(=O)C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.46306974 |
6.0427804 |
4.270899 |
256.58554 |
2.3772254 |
3.526221462949457 |
| 160 |
c-c59+c-b81.a-c6+a-b21+a-b30 |
CCCn1c[n+](C)cn1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c59+c-b81 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCCn1c[n+](C)cn1 |
0.39392433 |
6.4728374 |
4.562984 |
290.51007 |
4.441405 |
3.5235487433255948 |
| 161 |
c-c140+c-b10.a-c23+a-b18+a-b35 |
CCn1cc[n+](N)n1.O=C([O-])C(C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F |
a-c23+a-b18+a-b35 |
c-c140+c-b10 |
triazolium |
O=C([O-])C(C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F |
CCn1cc[n+](N)n1 |
0.54483473 |
6.103007 |
5.386433 |
302.18814 |
3.9136846 |
3.521687349059643 |
| 162 |
c-c145+c-b71.a-c23+a-b25+a-b35 |
CCCCCCOC[n+]1ccccc1.CCCCCC(C(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)F |
a-c23+a-b25+a-b35 |
c-c145+c-b71 |
pyridinium |
CCCCCC(C(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.3396693 |
6.2851577 |
4.6854753 |
274.49927 |
4.071673 |
3.5183711863229323 |
| 163 |
c-c59+c-b30.a-c6+a-b28+a-b35 |
CCCCn1c[n+](C)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c59+c-b30 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.47311074 |
6.617449 |
5.3287163 |
274.58524 |
3.1309958 |
3.518317805428432 |
| 164 |
c-c140+c-b30.a-c6+a-b21+a-b30 |
CCCCn1cc[n+](N)n1.CC(=O)[N-]C1CCCCC1 |
a-c6+a-b21+a-b30 |
c-c140+c-b30 |
triazolium |
CC(=O)[N-]C1CCCCC1 |
CCCCn1cc[n+](N)n1 |
0.34780544 |
6.3331814 |
3.483594 |
302.65442 |
5.323083 |
3.517422249700522 |
| 165 |
c-c137+c-b76.a-c6+a-b28+a-b35 |
COC[n+]1nn(C)c2ccccc21.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c137+c-b76 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
COC[n+]1nn(C)c2ccccc21 |
0.52955985 |
6.157388 |
5.2623577 |
291.06046 |
3.4915576 |
3.5142206363474067 |
| 166 |
c-c80+c-b39.a-c6+a-b9+a-b17 |
CCCCCCC[n+]1cn(COC)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c80+c-b39 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCC[n+]1cn(COC)cn1 |
0.44634008 |
6.7278876 |
4.3584027 |
273.61243 |
3.2670977 |
3.513383344497522 |
| 167 |
c-c71+c-b39.a-c23+a-b3+a-b18 |
CCCC[n+]1cn(COC)cn1.CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
a-c23+a-b3+a-b18 |
c-c71+c-b39 |
triazolium |
CC(F)(F)S(=O)(=O)C(C(=O)[O-])C(F)(F)F |
CCCC[n+]1cn(COC)cn1 |
0.4253231 |
6.5553355 |
4.54826 |
279.4916 |
3.6884358 |
3.51271590851392 |
| 168 |
c-c58+c-b10+c-b39+c-b53+c-b61.a-c6+a-b17+a-b21 |
CCCCCCCC[N+](CC)(COC)c1cccnc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c58+c-b10+c-b39+c-b53+c-b61 |
quaternaryammonium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCCCCC[N+](CC)(COC)c1cccnc1 |
0.548867 |
6.326686 |
3.868913 |
270.75217 |
2.3983767 |
3.5074105803498723 |
| 169 |
c-c87+c-b76.a-c6+a-b20+a-b28 |
COCC[n+]1ccc(C)cc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c87+c-b76 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
COCC[n+]1ccc(C)cc1 |
0.41194108 |
6.0249333 |
4.1681113 |
285.29184 |
4.039108 |
3.504178287738864 |
| 170 |
c-c49+c-b76.a-c6+a-b13+a-b30 |
COn1cn[n+](C)c1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c49+c-b76 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
COn1cn[n+](C)c1 |
0.41775203 |
5.545201 |
4.371502 |
300.70233 |
4.7152915 |
3.504172740060736 |
| 171 |
c-c65+c-b29.a-c6+a-b9+a-b17 |
CC(C)c1ccc[n+](C)c1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c65+c-b29 |
pyridinium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CC(C)c1ccc[n+](C)c1 |
0.61356056 |
6.489951 |
4.238012 |
316.11978 |
4.04527 |
3.503198033123199 |
| 172 |
c-c59+c-b81.a-c6+a-b13+a-b30 |
CCCn1c[n+](C)cn1.CCCCCC[N-]C1CCCCC1 |
a-c6+a-b13+a-b30 |
c-c59+c-b81 |
triazolium |
CCCCCC[N-]C1CCCCC1 |
CCCn1c[n+](C)cn1 |
0.41489926 |
6.1905046 |
4.2521434 |
294.78394 |
4.4521465 |
3.499400641957331 |
| 173 |
c-c59+c-b36.a-c6+a-b22+a-b25 |
C[n+]1cnn(-c2ccccc2)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b36 |
triazolium |
CCCCC[N-]OC |
C[n+]1cnn(-c2ccccc2)c1 |
0.44898883 |
5.5056725 |
4.471175 |
322.81815 |
5.5113225 |
3.49669600169862 |
| 174 |
c-c140+c-b30.a-c6+a-b28+a-b35 |
CCCCn1cc[n+](N)n1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c140+c-b30 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCn1cc[n+](N)n1 |
0.5052343 |
6.454288 |
4.790342 |
296.79788 |
3.896908 |
3.493607784718398 |
| 175 |
c-c133+c-b35+c-b76.a-c6+a-b17+a-b21 |
CCC(C)c1cc[n+](CCOC)cc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c133+c-b35+c-b76 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCC(C)c1cc[n+](CCOC)cc1 |
0.3607311 |
6.2737036 |
4.2688704 |
268.5269 |
3.6029296 |
3.493050666044024 |
| 176 |
c-c111+c-b39+c-b74.a-c6+a-b17+a-b21 |
COCc1ccc2cccc[n+]2c1C(C)=O.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c111+c-b39+c-b74 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COCc1ccc2cccc[n+]2c1C(C)=O |
0.5411938 |
5.9494753 |
4.6176176 |
288.3514 |
3.247359 |
3.4924913840338205 |
| 177 |
c-c71+c-b60.a-c6+a-b5+a-b17 |
C=CCn1cn[n+](CCCC)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c71+c-b60 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
C=CCn1cn[n+](CCCC)c1 |
0.47305578 |
6.5071697 |
4.848513 |
274.25537 |
3.0726786 |
3.4919640636946565 |
| 178 |
c-c137+c-b76.a-c6+a-b20+a-b28 |
COC[n+]1nn(C)c2ccccc21.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c137+c-b76 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
COC[n+]1nn(C)c2ccccc21 |
0.5144731 |
6.169051 |
5.2573476 |
295.00333 |
3.7442067 |
3.4913159342840454 |
| 179 |
c-c59+c-b30.a-c6+a-b9+a-b17 |
CCCCn1c[n+](C)cn1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c59+c-b30 |
triazolium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.46357 |
6.8933253 |
4.7463646 |
271.67728 |
3.0183346 |
3.49106061693461 |
| 180 |
c-c93+c-b76.a-c6+a-b5+a-b17 |
COCC[n+]1ccccn1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c93+c-b76 |
pyrazinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
COCC[n+]1ccccn1 |
0.48267263 |
5.5499225 |
3.9237404 |
277.21545 |
3.1403558 |
3.490727766997816 |
| 181 |
c-c49+c-b10.a-c6+a-b7+a-b15 |
CCn1cn[n+](C)c1.CC[N-]c1ccccc1O |
a-c6+a-b7+a-b15 |
c-c49+c-b10 |
triazolium |
CC[N-]c1ccccc1O |
CCn1cn[n+](C)c1 |
0.567907 |
5.737409 |
3.8386173 |
322.83932 |
4.6575475 |
3.4888083322254686 |
| 182 |
c-c49+c-b81.a-c6+a-b5+a-b17 |
CCCn1cn[n+](C)c1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c49+c-b81 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCn1cn[n+](C)c1 |
0.48546177 |
6.5643992 |
4.832283 |
273.97147 |
2.9664402 |
3.488799756786126 |
| 183 |
c-c113+c-b39+c-b53.a-c6+a-b17+a-b21 |
COC[N+]1(c2cccnc2)CCCCC1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c113+c-b39+c-b53 |
piperidinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COC[N+]1(c2cccnc2)CCCCC1 |
0.5874451 |
6.1340523 |
3.944379 |
280.32843 |
2.5399187 |
3.488486009158838 |
| 184 |
c-c87+c-b76.a-c6+a-b17+a-b21 |
COCC[n+]1ccc(C)cc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c87+c-b76 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
COCC[n+]1ccc(C)cc1 |
0.40571192 |
5.968609 |
3.9147372 |
279.22177 |
3.7735076 |
3.487676322791098 |
| 185 |
c-c145+c-b71.a-c23+a-b5+a-b35 |
CCCCCCOC[n+]1ccccc1.O=C([O-])C(C(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F |
a-c23+a-b5+a-b35 |
c-c145+c-b71 |
pyridinium |
O=C([O-])C(C(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.3307995 |
6.3528237 |
5.2789683 |
271.43002 |
3.9365518 |
3.48491156328353 |
| 186 |
c-c84+c-b10.a-c6+a-b9+a-b17 |
CCCC[n+]1ccc(CC)cc1.O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b9+a-b17 |
c-c84+c-b10 |
pyridinium |
O=C(CF)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.40852723 |
6.7268896 |
4.0437245 |
278.06503 |
3.6943474 |
3.4844011426020183 |
| 187 |
c-c71+c-b81.a-c6+a-b17+a-b21 |
CCCC[n+]1cn(CCC)cn1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c71+c-b81 |
triazolium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCC[n+]1cn(CCC)cn1 |
0.45141625 |
6.806163 |
4.293439 |
270.9147 |
3.0563378 |
3.483441727709466 |
| 188 |
c-c137+c-b76.a-c6+a-b5+a-b17 |
COC[n+]1nn(C)c2ccccc21.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c137+c-b76 |
triazolium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
COC[n+]1nn(C)c2ccccc21 |
0.56781447 |
6.074732 |
4.545863 |
290.96515 |
3.161699 |
3.4810109652813277 |
| 189 |
c-c87+c-b76.a-c6+a-b28+a-b35 |
COCC[n+]1ccc(C)cc1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c87+c-b76 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
COCC[n+]1ccc(C)cc1 |
0.4082889 |
6.010621 |
4.2255397 |
280.01282 |
3.7811184 |
3.481007992294233 |
| 190 |
c-c59+c-b3.a-c6+a-b22+a-b25 |
C[n+]1cnn(C2CCCC2)c1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c59+c-b3 |
triazolium |
CCCCC[N-]OC |
C[n+]1cnn(C2CCCC2)c1 |
0.37651858 |
6.156738 |
4.220802 |
295.3632 |
4.719537 |
3.4803986621121727 |
| 191 |
c-c145+c-b71.a-c23+a-b13+a-b35 |
CCCCCCOC[n+]1ccccc1.CCCCCCC(C(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)F |
a-c23+a-b13+a-b35 |
c-c145+c-b71 |
pyridinium |
CCCCCCC(C(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.34247786 |
6.298537 |
4.712779 |
276.11047 |
4.0603776 |
3.4779984438392035 |
| 192 |
c-c145+c-b71.a-c6+a-b2+a-b5 |
CCCCCCOC[n+]1ccccc1.N=C(N)N[N-]C(=O)C(F)(F)F |
a-c6+a-b2+a-b5 |
c-c145+c-b71 |
pyridinium |
N=C(N)N[N-]C(=O)C(F)(F)F |
CCCCCCOC[n+]1ccccc1 |
0.27812114 |
6.182027 |
4.9043946 |
270.167 |
4.2378078 |
3.477101753569676 |
| 193 |
c-c113+c-b39+c-b60.a-c6+a-b28+a-b35 |
C=CC[N+]1(COC)CCCCC1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c113+c-b39+c-b60 |
piperidinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
C=CC[N+]1(COC)CCCCC1 |
0.6039403 |
5.525872 |
3.4644175 |
274.79733 |
2.1464634 |
3.47679621753051 |
| 194 |
c-c133+c-b30+c-b39.a-c6+a-b17+a-b21 |
CCCCc1cc[n+](CCCOC)cc1.CC(=O)[N-]S(=O)(=O)C(F)(F)F |
a-c6+a-b17+a-b21 |
c-c133+c-b30+c-b39 |
pyridinium |
CC(=O)[N-]S(=O)(=O)C(F)(F)F |
CCCCc1cc[n+](CCCOC)cc1 |
0.4083 |
6.3185987 |
3.8606093 |
264.9024 |
3.0681636 |
3.475222339709915 |
| 195 |
c-c49+c-b81.a-c6+a-b17+a-b37 |
CCCn1cn[n+](C)c1.O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
a-c6+a-b17+a-b37 |
c-c49+c-b81 |
triazolium |
O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)C(F)(F)F |
CCCn1cn[n+](C)c1 |
0.42275962 |
6.810735 |
4.975723 |
274.1097 |
3.3919609 |
3.4737461413008432 |
| 196 |
c-c100+c-b6.a-c6+a-b22+a-b25 |
C[n+]1ccc(CCN)cc1.CCCCC[N-]OC |
a-c6+a-b22+a-b25 |
c-c100+c-b6 |
pyridinium |
CCCCC[N-]OC |
C[n+]1ccc(CCN)cc1 |
0.28156027 |
5.451606 |
3.9303935 |
291.4998 |
5.1992545 |
3.4727207717473045 |
| 197 |
c-c84+c-b10.a-c6+a-b5+a-b17 |
CCCC[n+]1ccc(CC)cc1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c84+c-b10 |
pyridinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
CCCC[n+]1ccc(CC)cc1 |
0.45731452 |
6.57739 |
3.8183863 |
280.48666 |
3.43837 |
3.470207085673381 |
| 198 |
c-c59+c-b30.a-c6+a-b20+a-b28 |
CCCCn1c[n+](C)cn1.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
a-c6+a-b20+a-b28 |
c-c59+c-b30 |
triazolium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F |
CCCCn1c[n+](C)cn1 |
0.44788885 |
6.6155796 |
5.310704 |
278.74918 |
3.4134624 |
3.4636702922918863 |
| 199 |
c-c111+c-b39+c-b74.a-c6+a-b28+a-b35 |
COCc1ccc2cccc[n+]2c1C(C)=O.O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
a-c6+a-b28+a-b35 |
c-c111+c-b39+c-b74 |
pyridinium |
O=C(O)C[N-]S(=O)(=O)C(F)(F)C(F)(F)F |
COCc1ccc2cccc[n+]2c1C(C)=O |
0.49955666 |
6.0251236 |
5.310662 |
290.15112 |
3.577675 |
3.463193932998313 |
| 200 |
c-c113+c-b39+c-b53.a-c6+a-b5+a-b17 |
COC[N+]1(c2cccnc2)CCCCC1.O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
a-c6+a-b5+a-b17 |
c-c113+c-b39+c-b53 |
piperidinium |
O=C([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F |
COC[N+]1(c2cccnc2)CCCCC1 |
0.61595994 |
6.177259 |
4.0210633 |
282.30203 |
2.381813 |
3.4592304682647823 |