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OCSR-Benchmarks

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3.28k
SMILES
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4
251
101
O=C1C(SC2=CC=CC=C2)=CSC3=C1C=CC=C3
102
ClC1=C2C(OC(C3=CC=CC=C3)(C4=CC=CC=C4)C2NC(C)(C)CC(C)(C)C)=CC=C1
103
ClC1=C2C(OC(C3=CC=CC=C3)(C4=CC=CC=C4)C2NC5CCCCC5)=CC=C1
104
ClC1=C2C(OC(C3=CC=CC=C3)(C4=CC=CC=C4)C2NC(C)C)=CC=C1
105
O=S(C([N+]([O-])=O)C1=CC=CC(Br)=C1)(C2=CC=C(C)C=C2)=O
106
CCC1=NC=CC=C1
107
O=C1CCSCC1
108
C12=CC=CC(N3C(C4=CC=CC=C4)=CC(C5=CC=CC=C5)=C3)=C1C=CC=C2
109
COC1=CC(N2C(C3=CC=CC=C3)=CC(C4=CC=CC=C4)=C2)=CC(OC)=C1OC
110
FC(C=C1)=CC=C1C2=CN(C(C3=CC=CC=C3)=C2)C4=CC=CC=C4
111
COC(C=C1)=CC=C1C2=CN(C(C3=CC=CC=C3)=C2)C4=CC=CC=C4
112
CC1=CC=C(N2C(C3=CC=CC=C3)=CC(C)=C2)C=C1
op100335q-Figure-c3-3
C#CCn1c(C)cnc1C
op200019k-Scheme-c6-1
CC1=C(C2=C(C)SC(C)=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C(P(C5=CC=CC=C5)C6=CC=CC=C6)=C(C)S1
jo990938e-Table-c7-7
[H]C#C[C@H](CCCCC)[C@@H](O)[R]
ol0616236-Scheme-c2-2
O=Cc1ccc2ccccc2c1
op200019k-Scheme-c3-15
O=C1C[C@H](CO)CO1
ol502842f-Scheme-c3-8
C=CCC1(N(C(C2=C1C=CC([X])=C2)=O)[PMP])[H]
op9600419-Scheme-c2-8
CC(C)c1cc(C(C)C)c(C(=O)Cl)c(C(C)C)c1
ja307151x-Scheme-c2-3
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O
jo401195c-Figure-c4-10
CC(C)[C@H](C(N([C@H](CC1=CC=CC=C1)C(OC)=O)[H])=O)N(C([C](C2)(C3)C[C]4(CC3C[C@@H]2C4)N(C([C@@H](CC5=CN=CN5C)N(C(OC(C)(C)C)=O)[H])=O)[H])=O)[H]
acs.orglett.6b00233-Scheme-c2-7
[EDG]C1=CC2=C(C=C1)C3(CCC3)NCC2
acs.oprd.6b00066-Scheme-c1-10
O=CN1C(O)C(O)N(C=O)C(O)C1O
op700160a-Scheme-c2-7
OC1COC2OCCC12
jo4027148-Scheme-c1-0
O=C([C@@H]1[C@H](/C=C/C2=CC=CC=C2)C[C@@H]1/C=C/C3=CC=CC=C3)NC4=C5C(C=CC=N5)=CC=C4
ja5080739-Scheme-c1-22
[R]/C=C/C([H])=O
ol801034x-Table-c2-5
Nc1c(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)cccc1.[Br-]
ol501085y-Scheme-c3-9
O=C([C@@](CN)(NC(OC(C)(C)C)=O)C1=C2C=CC=C1)N2C
op0600106-Scheme-c4-0
O=S(N1CCOC1=O)(N([R1])[R2])=O
jo502578x-Scheme-c1-4
[2H]C(C(OC)=O)([2H])C(OC)=O
acs.joc.5b02057-Scheme-c3-27
Cc1c(-c2ccccc2)[nH]c(N(C)S(C)(=O)=O)c1-c1ccccc1
acs.oprd.6b00037-Scheme-c2-5
C/C(C)=C\CC/C(C)=C/CC/C(C)=C/C(C(/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO)[R])[R’]
acs.oprd.5b00371-Scheme-c8-3
COC(=O)/C(=C/OC)c1ccccc1CCl
ol3023903-Figure-c2-3
O=C(CC/C(C(F)(F)F)=C\C1CCCCC1)N(S(C)(=O)=O)C2=CC(Cl)=CC(Cl)=C2
ol0348957-Figure-c1-9
[C6F5]C(C(F)(F)F)=O
op100335q-Figure-c3-6
C#CCN/C(C)=N/c1ccc(F)cc1
op300128c-Scheme-c9-1
O=C(C1=CN(C)N=C1)O[Na]
jo501913z-Scheme-c1-10
[Co]C1=CC=C(CNC(NCCCCCCNC(NC2=CC=C(N(C)C)C3=C2C=CC=C3N(C)C)=O)=O)C=C1
jo9906328-Scheme-c1-10
c1cocn1
op3001788-Scheme-c15-6
O=C(O)C(O)(c1ccccc1)c1ccccc1
ol801791g-Figure-c1-5
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO)C2)c(=O)[nH]1
jo4007046-Table-c2-9
[G]C(C=C1)=CC=C1CC(O2)CCC2=O
op060155c-Figure-c2-1
O=Cc1ccoc1
acs.oprd.6b00066-Scheme-c1-7
O=[N+](N(C1O2)C(O3)C4OC3C2OC1N4[N+](=O)[O-])[O-]
jo500696n-Scheme-c1-13
COCCOCCOCCOCCOC
acs.orglett.5b03590-Table-c2-0
C=C1C(C)=NNC(=O)N1Cc1ccc(Cl)cc1
jo000585f-Scheme-c16-2
[2H][C@](NC(OC(C)(C)C)=O)(P(OCC)(OCC)=O)C1=CC=CC=C1
jo991681n-Scheme-c2-12
[H][C@]1(O[C@@]([H])([C@H]([R])C=C1)C(O[R'])=O)[C@@H](O[R''])C
op200312m-Scheme-c4-1
Br[Pd]/C(CCO)=C1C(C=CC=C2)=C2COC(C\1=C3)=CC=C3CC(OC)=O
op300331b-Scheme-c5-7
CC(N1C=CC(C=C1)C2=C(C=CC=C2)C(F)(F)F)=O
op8000756-Scheme-c1-0
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
acs.oprd.5b00256-Scheme-c2-4
*OC(=O)c1csc(NC(=O)c2cc(OC)c(OC)cc2O)n1
op200112g-Scheme-c3-25
O[C@@H]([C@](C1=C(C=C(C=C1)O[Si](C(C)(C)C)(C)C)OCC2=CC=CC=C2)(CO3)O)C(C=C4)=C3C=C4OCC5=CC=CC=C5
ol500444z-Scheme-c3-2
[R]C1OC1([R1])[N+]([O-])=O
acs.joc.5b01703-Scheme-c2-22
COC1=CC=C(C#CC(N(C)CC=C)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C=C1
op049889k-Figure-c1-2
CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC=C(OC)C(S(=O)(N)=O)=C2
acs.oprd.5b00070-Figure-c1-8
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)/C(C)=C\C=C\C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
ja200818w-Scheme-c4-17
O=C(C1=NC=CC=C1)N[C@H](C2OC(C)=O)[C@H](OC(C)=O)O[C@@H]([C@H]2OC(C)=O)COC(C)=O
ol0508779-Scheme-c3-8
S=C(N(CCC1)C(C(C(OCC)=O)=[N+]=[N-])=O)[C@@]1(CC/C=C\C2=C(C=CC=C2)[N+]([O-])=O)CC
op970113b-Scheme-c1-6
COC(=O)[C@H](O)[C@@H](O)c1ccccc1
acs.orglett.5b02680-Scheme-c3-4
O=C1C(C=CC=C2)=C2NC3=C1C4(NC5=CC=CC=C53)CC[X]CC4
op030202q-Scheme-c7-14
O[C@H]([C@@H](O)C(OCC1=CC=CC=C1)=O)C2=CC=CC=C2
op200019k-Scheme-c5-20
O=C1CC(O)(CF)CO1
op4000219-Figure-c1-0
C[C@H]1C2=CC=CC(O)=C2C(C3=C(O)[C@](O)(C(C(C(N)=O)=C4O)=O)[C@]([H])([C@@H]4N(C)C)[C@@H](O)[C@]13[H])=O
acs.joc.5b01547-Table-c1-3
*C(=O)C(*)*
acs.oprd.5b00259-Scheme-c1-2
Cc1ccc(-c2ncccn2)c(C(=O)O)c1
jo402399n-Scheme-c1-0
C=CCOC1OC(CO)[C@H](O)[C@H](O)[C@H]1O
jo202294k-Scheme-c5-2
*C([H])=O
op300235t-Scheme-c1-0
Cn1cnc2c(N3CCOCC3)nc(Cl)nc21
jo961049j-Scheme-c1-2
OCCCC#Cc1ccccc1I
op049954q-Scheme-c1-28
CC([C@H](C(N1C(OC[C@H]1CC2=CC=CC=C2)=O)=O)CSC(C)=O)C
acs.orglett.5b01754-Scheme-c1-16
O=S(C1=CC=C2C(C=CC=C2)=C1C(C(C=CC=C3)=C3C=C4)=C4S(=O)(Cl)=O)(Cl)=O
op9002533-Table-c1-5
*c1ccc2c(c1)CN(C)C(=O)C2
op700060e-Figure-c2-3
c1ccc(Sc2ccccn2)cc1
ol0508779-Scheme-c3-4
CCC12CCCN3C(=O)[C@@H]4C(=O)Nc5ccccc5[C@@H]4C(=C31)CC2
ol402047d-Table-c4-1
COc1ccc(-c2ccccc2)cc1
op8002272-Scheme-c9-15
CC1(C)[C@H]2C[C@]3(C)O[C@@H]3C[C@H]21
acs.orglett.5b01754-Scheme-c1-12
[X]C1=CC2=CC=CC=C2C(C3=C(C([X])=CC4=C3C=CC=C4)S(N5)(=O)=O)=C1S5(=O)=O
acs.joc.6b00020-Table-c1-3
[H][C@]12C[C]1(C3=CC([R'])=C(C=[C@]3[C@]4=C(C(OC)=C(C=C4C2)OC)OC)[R])[H]
ol016837w-Scheme-c3-2
OC1/C(CCCC1)=C([Si](C)(C)C)/CCC2=CC=CC=C2
acs.oprd.5b00170-Table-c1-3
Nc1ccccc1Nc1ccc(I)cc1
ol503618m-Scheme-c3-16
[H]C1=CC(C=CC=C2)=C2N1C(NCC3=CC=CC=C3)=O
op200052z-Table-c1-2
COC(=O)c1ccc(O)c(I)c1
jo9901541-Scheme-c2-3
O=C(C(C1)O/C(C2=C1C=CC=C2)=N\S(=O)(C(F)(F)F)=O)OCC
acs.oprd.6b00011-Table-c4-7
CC1(C)OB(c2cnc(N)nc2)OC1(C)C
acs.joc.5b01703-Scheme-c2-26
COC1=CC=C(C#CC(NC)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C=C1
op7000172-Scheme-c5-21
[H]C([NH2])=N
jo980407a-Table-c2-0
CC(C1OC)C(C(C(C1C)C)OC)C
ol036111v-Scheme-c1-4
IC1=CC(C=CC=C2)=C2C(C3=C(C(I)=CC4=C3C=CC=C4)OC(C)=O)=C1OC(C)=O
ja5080739-Scheme-c1-17
[EWG]c1ccc(N=O)cc1
jo201183s-Scheme-c3-4
BrCC(O)=O
ol048273c-Figure-c2-21
[H]C(C[C@H](C)CC/C=C(C)\C)=O
ol500248h-Scheme-c2-26
Clc1ccc2c3ccccc3n3c4ccccc4nc3c2c1
ja064212t-Scheme-c1-1
[R']/N=C(P([R])[R])/N([H])[R']
jo982004g-Scheme-c2-2
[Ph]S(=O)(=O)CC(=C)CNC(C)[Ph]
ol401042b-Table-c4-4
CC([C@H]([C@@H]([R’])C(C(OCC)=O)=C1)C=C1C(OCC)=O)C
ol0616236-Scheme-c2-3
CC(C)(C)OC(=O)C(F)S(=O)(=O)c1nc2ccccc2s1
op8001799-Figure-c1-7
C=CC(=O)OC
acs.orglett.5b02680-Scheme-c3-0
O=C1CC[X]CC1
jo0014156-Scheme-c8-7
CCC(C1=C(C=CC=N1)C2=C(C=CC=C2)NC(C(C)(C)C)=O)(CC)C(OCC)=O