Train.csv

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C=C[Si](O[C@@H](C)C(=O)OCC)(O[C@@H](C)C(=O)OCC)O[C@@H](C)C(=O)OCC,-1.9956786262173567
CC1(C)CCC[C@]2(C)[C@H]3CCO[C@]3(C)CC[C@@H]12,-1.1804560644581312
N=C1N=C(N)c2ccccc21,-2.441291429466834
CC(O)COC(C)CO,-0.8696662315049939
Cc1cc(O)c(C)c(C)c1O,-3.0757207139381184
Nc1ncccc1Br,0.255272505103306
Cc1ccc(C2OC[C@@H]3OC(c4ccc(C)c(C)c4)O[C@H]([C@H](O)CO)[C@@H]3O2)cc1C,-6.0
c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1,-4.1938200260161125
Cc1cccc(C)c1N,1.3010299956639813
CC(C)c1ccc(Cl)cc1CNC1CC1,-0.6382721639824072
CN(C)CCN(C)CCO,1.7596678446896306
C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,0.9542425094393248
CC(=O)Oc1cccc(OC(C)=O)c1,0.2624510897304295
C=CN(C)C(C)=O,2.3891660843645326
CN1CCN(C)CCN(C)CC1,2.089905111439398
CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F,-4.455931955649724
COc1ccc(CC(C#N)C(=O)O)cc1OC,-5.275724130399211
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1,-3.521433504406157
Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1,-4.086186147616283
C=CCCCCCCCCC(=O)OC,2.322219294733919
CC(CC(C)C)=NCCN=C(C)CC(C)C,0.119915410257991
CC(C)(O)C(=O)c1ccccc1,0.0
CN(C)C=Nc1ccc(NC(=S)NC(C)(C)CO)cc1C#N,-4.327902142064283
O=C(CCS)OCCOC(=O)CCS,0.4548448600085102
COC1CCCC1,3.630427875025024
CCC(C)=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,-2.616184634019569
CCCC(C)C1OCC(C)(CCC)CO1,0.7075701760979364
O=C(/C=C/c1ccccc1)OCc1ccccc1,0.9542425094393248
CCCCC(CC)CNCC(CC)CCCC,-0.4202164033831898
C=C(C)C(=O)OCCOC(=O)c1c(CC(O)CCl)cccc1C(=O)O,-1.431798275933005
Cc1ncc(CN)c(N)n1,-1.728158393463501
CC(=O)CC(=O)OC(C)C,1.7160033436347992
C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1,-0.0457574905606751
CCC(=O)OC,4.051152522447381
CCCCCCCCCCCC(=O)N(C)CC(=O)OC(C)C,-3.8538719643217614
CC1=C2CC(C=O)C(C1)C(C(C)C)C2,0.3884564527002667
COC(=O)CCCC(=O)OC,1.146128035678238
CC(C1CC1)C(O)c1ccc(Cl)cc1,-1.0506099933550872
O=C(O)C(CCBr)(c1ccccc1)c1ccccc1,-3.677780705266081
CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,3.2273724422896364
Cc1c(C#N)c(O)n(C)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1,-6.0
Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,-4.698970004336019
CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC,-3.204119982655925
C=C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,-1.473660722610156
CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O,-6.657577319177793
C[Si](C)O[Si](C)C,4.2552725051033065
C[Si](C)(C)NC(=O)N[Si](C)(C)C,-2.078313524516398
CCOC(C)(C)C,4.230448921378274
CCC(CC)C(=O)N(C)c1cccc(OC)c1,-1.359518563029578
O=C(Nc1ccnc(=O)[nH]1)c1ccccc1,-4.443697499232713
CCCCCCCOCC(C)CC=O,1.9590413923210936
FC(F)CNCc1ccc(Cl)nc1,-1.3665315444204136
CC(=O)NNC(C)=O,-3.744727494896694
C1CCCCCCC1,2.8698182079793284
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1,-2.8041003475907664
CC(C)OCCO,2.7774268223893115
COc1ccc(CC(C)C=O)cc1,-0.4559319556497244
CCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1,-9.045757490560677
Cc1cccc(C)c1NC(=O)CN1CCNCC1,-4.316052869248488
COCCOCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O,-5.568636235841013
CC(=O)OC/C=C/c1ccccc1,1.3222192947339193
COC(=O)c1ccccc1-c1ccc(CBr)cc1,-2.628932137728264
CCCCCOC(=O)c1c(Cl)c(Cl)cc(Cl)c1OC(=O)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)OCCCCC,-5.523081463343121
O=C1CCCCCCCCCCOCCCCO1,-1.2403321553103694
CN[C@@H](C)c1cccc(O)c1,-3.863279432843593
CCOC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(Cl)ncc1F,-5.366531544420414
C/C=C/c1ccc(OC(C)=O)c(OC)c1,-1.154901959985743
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O,-4.978810700930062
C=CCc1ccc(OC(C)=O)c(OC)c1,-1.0457574905606752
[S],-3.677780705266081
Cc1nc(CCl)nc2ccccc12,-3.2284125191187445
COc1ccc(C(=O)c2ccccc2O)c(O)c1,-4.026872146400302
C=CCCCCCCO,2.1903316981702914
CC(=O)CSc1ccc(Cl)cc1,-0.6777807052660807
CCCCCCOP(=O)(OCCCCCC)OCCCCCC,-2.987162775294828
O=C/C(F)=C/N1CCOCC1,-2.6020599913279625
CCCCCCCC[N+](C)(C)[B-](Cl)(Cl)Cl,-1.6777807052660807
COC(=O)CN(CC(=O)OC)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC,-4.853871964321762
N#Cc1ccc(N)cc1,-2.337242168318426
NCCCN(CCO)CCO,-2.958607314841775
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,-5.657577319177793
COC(=O)CCC(C)C(=O)OC,1.021189299069938
C=C[Si](C)(C)Cl,4.079181246047625
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,-2.826813731587726
Nc1nc2c(s1)CC(N)CC2,-5.251811972993799
CCCCCCCCCCCCCCCC/C=C/C1CC(=O)N(CCNCCNCCNCCN2C(=O)CC(/C=C/CCCCCCCCCCCCCCCC)C2=O)C1=O,-6.691222226335279
CC(=O)OC(CC(C)C)CC(C)C,2.531478917042256
CCC(=O)N(c1ccccc1)C1CCNCC1,-2.7958800173440754
CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O,0.6954816764901974
O=C(n1ccnc1)n1ccnc1,-1.9208187539523751
CCCCCC=CCC(CC(=O)O)C(=O)O,-2.7958800173440754
CCCCC(CC)COC(=O)C(=Cc1cc(OC)c(O)c(OC)c1)C(=O)OCC(CC)CCCC,-3.958607314841775
c1ccc(-c2noc(-c3cccs3)n2)cc1,-4.110138278741812
O=C(O)CCSCCC(=O)O,-2.3526170298853804
N#CCCN(CCOC(=O)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,-3.677780705266081
C=CCC(=CCC1CC(=O)OC1=O)CC=C,1.5987905067631152
CCCCCCCCNc1ccncc1,-2.431798275933005
CCC(C)C(C)C(C)CCc1ccc(O)cc1,-1.958607314841775
NCCCNC1CCCCC1,0.8512583487190752
N#CCN(CC#N)CC#N,-3.98296666070122
C=C(Br)C(F)(F)F,4.913813852383717
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)ON2C(=O)CCC2=O)C(C)C)cs1,-4.337242168318426
Cc1ccc(N(CC(C)O)CC(C)O)cc1,-3.283996656365201
CC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1,-8.467245621007502
CC(=O)OCc1ccc2c(c1)OCO2,-0.6055483191737837
O/N=C/c1ccccn1,-1.3829996588791011
O=C(O)c1ccc(Cl)cc1,-3.4814860601221125
O=Cc1ccc(O)cc1,-2.3872161432802645
N#Cc1ncc(N)cc1C(F)(F)F,-3.657577319177794
O=C1OCC(F)O1,1.7075701760979365
CC(O)COC(C)COC(C)COCCN(CCOCC(C)OCC(C)OCC(C)O)CCOC(C)COC(C)COC(C)CO,-2.0
C=C(C)C(=O)OCCOc1ccccc1,-0.4559319556497244
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O,-9.712198270069774
C=CCOCCO,2.26528962586083
CCCCC(CC)CO,2.0791812460476247
CC(C)CC1(C)OCC(CO)O1,1.6020599913279625
CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl,-3.0535846515868665
O=C(O)c1ccc(O)cc1,-4.675717544702307
CCCOC(=O)c1ccc(O)cc1,-3.086186147616284
ClC1CCCC1,3.653212513775344
O=C(O)c1ccc(O)cc1O,-5.049635145623877
c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1,-8.619788758288394
CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C,-3.08196966321512
Cc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1,-7.552841968657781
Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1,-8.092051478387727
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO,-3.586700235918748
CC(C)(C)OC(=O)NC1(C(=O)O)CCC1,-3.494850021680094
CN=C(NCC1CCOC1)N[N+](=O)[O-],-4.301029995663981
C=CC(C)CCC=C(C)C,2.7259116322950483
O=C1CCCCCCC/C=C/CCCCCCO1,-1.6777807052660807
CCOC(OCC)[SiH2]CCCN([Si](C)(C)C)[Si](C)(C)C,-0.3133637307377066
CC(=O)On1ccccc1=O,-1.7700623140920662
CC(C)COC(=O)CCCCC(=O)OCC(C)C,1.3138672203691537
C=CC1CCC(C2CCC(CCCCC)CC2)CC1,-2.1739251972991736
O=C(O)/C=C\C(=O)O,-2.749579997691106
Oc1cc(Cl)cc(Br)c1,-2.1804560644581312
COc1ccc(CCC#N)cc1OC,-2.920818753952376
CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1,-7.142667503568732
CCCCC(CC)COC(=O)C1CCC2OC2C1,-1.3279021420642825
CC(O)C#CC(C)O,-0.5228787452803376
CC(C)C1CCC(O)CC1,0.7993405494535817
CCC(COCCO)(COCCO)COCCO,-3.3736596326249577
c1ccc2c(c1)CC1COCOC21,-0.4559319556497244
OCC(CO)(CBr)CBr,-2.6989700043360187
O=C(O)CS,1.2041199826559248
C=C[Si](C)(C)O[Si](C)(C)C=C,3.230448921378274
O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1,-5.721246399047171
CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCC,-5.638272163982407
COC(OC)C(C)(C)CC=C(C)C,1.4913616938342726
CN(C)CCOCCN(C)CCO,1.0
CCCCCCOC(=O)CCC,1.740362689494244
COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl,-4.508638306165727
CNC(=S)NN,-4.161150909262744
CCCCN(CCO)CCCC,0.9030899869919436
CC(c1ccccc1)c1ccccc1,-0.815677734422843
C=CCCC(=O)CC1CC2CCC1C2,0.380211241711606
CCN(CC)CC(C)O,2.7972675408307164
NCCCNCCNCCCN,2.414973347970818
C=C(C)C(=O)OCCN1CCOC1,0.3010299956639812
OCCOCC#CCOCCO,-2.5850266520291822
CCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1,-2.6020599913279625
CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC,-1.0
CCCCOC(=O)C(C)OC(=O)CCC,0.5797835966168101
COC(C)(C)C,4.518513939877888
CCO[Si](C)(C)OCC,3.4367985102318035
CC(C)c1cc(C(C)C)c(N=C=O)c(C(C)C)c1N=C=O,-1.585026652029182
O=C(O)CC(Sc1nc2ccccc2s1)C(=O)O,-4.216811308924743
CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O,-4.130768280269024
CC(C)(C)C(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C,-5.958607314841775
CC(C)=CCOCC(O)COCC=C(C)C,-0.6575773191777937
COC(=O)Cc1ccccc1,2.0
OCCN1CCOCC1,1.0413926851582251
CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2,-7.050609993355088
CC/C=C\CCOC(C)=O,2.330413773349191
CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1,-3.154901959985743
OB(O)c1cccc(F)c1,-5.958607314841775
CN(CCCN)CCCN,0.6627578316815741
CC1=CC(=O)N(Cc2cccc(CN3C(=O)C=C(C)C3=O)c2)C1=O,-4.301029995663981
O=C(CCS)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(CCOC(=O)CCS)c1=O,-3.9208187539523753
C/C=C/C(=O)C1C(C)=CCCC1(C)C,0.505149978319906
CCCCCCC1(C)CCC(=O)O1,1.7781512503836436
CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN(CCOp3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)CCOp3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1,-10.397940008672036
CCOC(=O)CC(CC(C)=O)C(=O)OCC,-0.619788758288394
c1ccc2c(NCCCN3CCOCC3)cccc2c1,-2.853871964321762
C=CC(C)(CCC=C(C)C)OC=O,1.5185139398778875
CCCCCCC(C)=O,2.6306922361534424
CCCCCCCCCCCCCCCCOC(C)=O,-2.318758762624413
O=C(O)CC(C(=O)O)c1ccccc1,-3.191789027075778
O=C1OC(=O)C2CCCCC12,-0.5086383061657274
CCCCCCCCN(CCO)CCO,-1.8860566476931635
CCOC(=O)N(CC)c1ccccc1,0.3961993470957364
O=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F,4.976160168727436
O=Cc1ccccc1C=O,-0.2518119729937995
O=C(O)c1cc(Br)nn1-c1ncccc1Cl,-6.881702198667224
CCCCCCCCCC(C)C=O,0.6532125137753437
O=C[C@H](O)[C@@H](O)[C@@H](O)CO,-7.198116292874761
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@H]3CC[C@@]21C,-5.468521082957745
CCCCCCOC(=O)CC,2.278753600952829
C=CC1COC(CC(C)C)O1,2.3364597338485296
CCCCC(CC)CO[P+](=O)OCC(CC)CCCC,-3.522878745280338
N#Cc1cccc([N+](=O)[O-])c1C#N,-4.698970004336019
NCC1C2CCC(C2)C1CN,1.3222192947339193
CCOC(=O)CC(C)=O,1.6232492903979006
C=CC(=O)OCCCCOC(=O)C=C,-0.0409586076789063
O=Cc1ccccc1Cl,0.919078092376074
O=C=NCC1CCCC(CN=C=O)C1,-0.6989700043360187
Oc1ccc(Cl)cc1,0.8808135922807914
Nc1ccc([N+](=O)[O-])c(C(=O)O)c1,-8.10790539730952
CCC1CCC(c2ccc(O)cc2)OC1,-3.795880017344075
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccn1,-3.522878745280338
CC(=O)CC(=O)Nc1ccccc1,-3.795880017344075
C=COCCCN,2.8260748027008264
FC(F)OC(F)(C(F)(F)F)C(F)(F)Cl,4.56925683332861
CC1=CCCC2(C)C(OC=O)C(C)CCC12C,-0.1938200260161128
CCCCC(=O)c1ccc(C2CCC(CCC)CC2)cc1,-4.187086643357144
CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C,-2.619788758288394
OC/C(Br)=C(\Br)CO,-2.368556230986828
CCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCC)c(C(=O)OCCCCCCCCC)c1,-7.1249387366083
COc1cc(NS(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O,-10.43297363384094
O=C(O)C1COc2ccccc2O1,-3.494850021680094
CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,1.7853298350107671
CC[Si](C#CCCO[Si](CC)(CC)CC)(CC)CC,-0.6020599913279624
C=CC(C)(CCC=C(C)C)OC(=O)CC,0.9912260756924948
CC1CCC(=O)O1,1.6434526764861874
CCC(CO)(CO)C(=O)O,-4.795880017344075
O=C(CS)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,-2.958607314841775
CCC(=O)OCc1ccccc1,1.0791812460476249
CCCCCCN(CCCCCC)CCCCCC,-0.3279021420642826
CCCC[C@H]1CO[C@H](c2ccc(Br)cc2)OC1,-3.136677139879544
CC(C)(C)Cl,4.599883072073688
O=S1(=O)C=CCO1,-1.7535999098457151
CCCC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1,-4.318758762624412
CC(C)C=NCC1(C)CC(N=CC(C)C)CC(C)(C)C1,-0.6777807052660807
N#CCCCCCCC#N,-1.0457574905606752
CCOC(=O)[C@@H](N)[C@@H](C)O,-0.0947439512515487
OC1CCc2[nH]c3ccccc3c2C1,-4.091514981121351
C=CC1CCCCC1,3.392696953259666
c1ccc(COP(OCc2ccccc2)OCc2ccccc2)cc1,-4.096910013008056
CCOC=C(C(=O)OCC)C(=O)OCC,-1.0861861476162833
O=C(O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)O,-2.619788758288394
CC1(C)CC(=O)CC(C)(C)N1[O],0.3529539117100877
CO[Si](CCCNC(=O)OCCCCCCOC(=O)NCCC[Si](OC)(OC)OC)(OC)OC,-2.677780705266081
O=S1(=O)OCCO1,0.2304489213782739
O=C1CCO1,2.656380737050616
CC(C)(C)CC(C)(C)SSSC(C)(C)CC(C)(C)C,-1.530177984021837
CC(=O)O[Si](C)(OC(C)=O)OC(C)=O,0.9247959957979122
O=CN1CCOCC1,0.6989700043360189
C/C=C/CCC1CCCC(=O)O1,-0.6575773191777937