smiles
stringlengths 1
82
| activity
float64 -5.8
1.9
|
|---|---|
CCCCCCCC | 1.754648 |
CCCCCCCBr | 1.077697 |
CCCCCI | 0.949769 |
CC(C)OC=O | 0.448719 |
C=CCl | 0.829837 |
Cc1ccc(cc1)C(=O)N(C)C | -1.614117 |
CCOC | 0.427397 |
C[C@@H]1CCCC[C@@H]1C | 1.408177 |
c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl | 0.024958 |
CCC | 1.520114 |
CCSCC | 0.597968 |
C(=C(F)F)(C(F)(F)F)F | 1.767974 |
CC(=O)c1ccccc1 | -0.233563 |
c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl | -0.036341 |
CCS | 0.683253 |
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O | -1.734049 |
c1ccc(cc1)CCO | -0.822564 |
c1cc(ccc1N)Cl | -0.585364 |
CCCc1ccc(cc1)O | -0.401468 |
C(F)(F)Cl | 0.853823 |
Cc1ccc(cc1)C(=O)C | -0.265545 |
c1ccc2cc3ccccc3cc2c1 | -0.065658 |
CCCCN(CC)C(=O)SCCC | 0.016962 |
C(C(F)(Cl)Cl)(F)(F)Cl | 1.458815 |
CC(C)C | 1.600069 |
c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N | -2.085851 |
COc1c(c(c(c(c1Cl)C=O)Cl)OC)O | -1.326279 |
C[C@@H](CCO[N+](=O)[O-])O[N+](=O)[O-] | -0.156273 |
CCCOC | 0.544665 |
c1ccc(cc1)CBr | 0.352773 |
c1ccc2c(c1)cccc2O | -1.057098 |
C | 1.520114 |
C1CCOCC1 | 0.155551 |
C([N+](=O)[O-])(Cl)(Cl)Cl | 0.600633 |
CN(C)CCOC(c1ccccc1)c2ccccc2 | -1.50218 |
[C@@H](C(F)(F)F)(Cl)Br | 0.957765 |
CCCC[N+](=O)[O-] | 0.163546 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O | -5.801087 |
CCCCCC=O | 0.238171 |
COc1cccc(c1)N | -0.955822 |
CCCCCl | 0.944439 |
CC(C)(C)C | 1.656037 |
Cc1ccc2cc(ccc2c1)C | 0.286144 |
C1C=CC=CC=C1 | 0.723231 |
CCCCI | 0.920453 |
CCCC(C)(C)O | -0.057662 |
Cc1ccc(cc1)C | 0.773869 |
CCO | -0.3455 |
CCCC(=C)C | 1.37886 |
CCc1cnccn1 | -0.465432 |
CN(C)C=O | -1.09441 |
CNc1ccccc1 | -0.26288 |
Cc1cccc2c1cccc2 | 0.336782 |
CCCOCCC | 0.677923 |
CCOC(=O)C | 0.203524 |
CC[C@H](C)O | -0.244223 |
CCCN | -0.182925 |
c1ccc(cc1)Oc2ccccc2 | 0.22218 |
CCC(C)C | 1.62139 |
CCCCC(=O)C | 0.112908 |
CCCOC=O | 0.326121 |
CCNc1nc(nc(n1)Cl)NCC | -1.736714 |
c1ccc(cc1)C=O | -0.084314 |
C1CC1 | 1.186969 |
COCOC | 0.206189 |
CC(C)(C)OC | 0.398081 |
CCCCCCCCl | 1.064371 |
COC(=O)c1ccccc1 | -0.057662 |
c1cc(ccc1Br)Br | 0.374094 |
C(CCl)Cl | 0.510018 |
COc1ccc(cc1)N | -1.00646 |
Cc1ccncc1C | -0.404133 |
COC | 0.478036 |
C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl | -1.41423 |
c1ccc(cc1)O[C@@H](C(F)F)F | 0.643276 |
CC(C)NC(C)C | 0.128899 |
CC(=C)C(=C)C | 1.093688 |
CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C | -0.739944 |
CCCCCCCCCO | -0.047001 |
CC(=O)NC | -1.678081 |
c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl | 0.411407 |
c1ccc2c(c1)Oc3ccccc3O2 | 0.147555 |
Cc1ccnc(c1)C | -0.308187 |
CCOCCO | -0.795912 |
c1ccc(cc1)C(=O)N | -1.944597 |
CN(C)CCC=C1c2ccccc2CCc3c1cccc3 | -0.993134 |
c1c(c(=O)[nH]c(=O)[nH]1)Br | -3.855518 |
Cc1c[nH]c2c1cccc2 | -0.580034 |
COc1c(cc(c(c1O)OC)Cl)Cl | -0.729283 |
CCCBr | 0.837833 |
C[C@H]1CCCO1 | 0.107578 |
C1CCC(=O)C1 | -0.265545 |
CN(C)C(=O)c1ccc(cc1)[N+](=O)[O-] | -2.197787 |
CCC(=O)N | -1.518171 |
c1ccc(cc1)CCCO | -0.857211 |
CC(C)CO | -0.212241 |
CC(=CCC/C(=C/CO)/C)C | -0.198916 |
CCCCCCC(=O)C | 0.219515 |
CC1CCCCC1 | 1.440159 |
CCCCO[N+](=O)[O-] | 0.430063 |