/usr/share/RDKit/Data/Crippen.txt is in rdkit-data 201603.5-2.
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# Copyright (C) 2002-2012 Greg Landrum and Rational Discovery LLC
# This file is part of the RDKit.
# The contents are covered by the terms of the BSD license
# which is included in the file license.txt, found at the root
# of the RDKit source tree.
#
#ID SMARTS "log P" MR Notes/Questions
C1 [CH4] 0.1441 2.503
C1 [CH3]C 0.1441 2.503
C1 [CH2](C)C 0.1441 2.503
C2 [CH](C)(C)C 0 2.433
C2 [C](C)(C)(C)C 0 2.433
C3 [CH3][N,O,P,S,F,Cl,Br,I] -0.2035 2.753
C3 [CH2X4]([N,O,P,S,F,Cl,Br,I])[A;!#1] -0.2035 2.753
C4 [CH1X4]([N,O,P,S,F,Cl,Br,I])([A;!#1])[A;!#1] -0.2051 2.731
C4 [CH0X4]([N,O,P,S,F,Cl,Br,I])([A;!#1])([A;!#1])[A;!#1] -0.2051 2.731
C5 [C]=[!C;A;!#1] -0.2783 5.007
C6 [CH2]=C 0.1551 3.513
C6 [CH1](=C)[A;!#1] 0.1551 3.513
C6 [CH0](=C)([A;!#1])[A;!#1] 0.1551 3.513
C6 [C](=C)=C 0.1551 3.513
C7 [CX2]#[A;!#1] 0.0017 3.888
C8 [CH3]c 0.08452 2.464
C9 [CH3]a -0.1444 2.412
C10 [CH2X4]a -0.0516 2.488
C11 [CHX4]a 0.1193 2.582
C12 [CH0X4]a -0.0967 2.576
C13 [cH0]-[A;!C;!N;!O;!S;!F;!Cl;!Br;!I;!#1] -0.5443 4.041
C14 [c][#9] 0 3.257
C15 [c][#17] 0.245 3.564
C16 [c][#35] 0.198 3.18
C17 [c][#53] 0 3.104
C18 [cH] 0.1581 3.35
C19 [c](:a)(:a):a 0.2955 4.346
C20 [c](:a)(:a)-a 0.2713 3.904
C21 [c](:a)(:a)-C 0.136 3.509
C22 [c](:a)(:a)-N 0.4619 4.067
C23 [c](:a)(:a)-O 0.5437 3.853
C24 [c](:a)(:a)-S 0.1893 2.673
C25 [c](:a)(:a)=[C,N,O] -0.8186 3.135
C26 [C](=C)(a)[A;!#1] 0.264 4.305
C26 [C](=C)(c)a 0.264 4.305
C26 [CH1](=C)a 0.264 4.305
C26 [C]=c 0.264 4.305
C27 [CX4][A;!C;!N;!O;!P;!S;!F;!Cl;!Br;!I;!#1] 0.2148 2.693
CS [#6] 0.08129 3.243
H1 [#1][#6,#1] 0.123 1.057
H2 [#1]O[CX4,c] -0.2677 1.395
H2 [#1]O[!C;!N;!O;!S] -0.2677 1.395
H2 [#1][!C;!N;!O] -0.2677 1.395
H3 [#1][#7] 0.2142 0.9627
H3 [#1]O[#7] 0.2142 0.9627
H4 [#1]OC=[#6,#7,O,S] 0.298 1.805
H4 [#1]O[O,S] 0.298 1.805
HS [#1] 0.1125 1.112
N1 [NH2+0][A;!#1] -1.019 2.262
N2 [NH+0]([A;!#1])[A;!#1] -0.7096 2.173
N3 [NH2+0]a -1.027 2.827
N4 [NH1+0]([!#1;A,a])a -0.5188 3
N5 [NH+0]=[!#1;A,a] 0.08387 1.757
N6 [N+0](=[!#1;A,a])[!#1;A,a] 0.1836 2.428
N7 [N+0]([A;!#1])([A;!#1])[A;!#1] -0.3187 1.839
N8 [N+0](a)([!#1;A,a])[A;!#1] -0.4458 2.819
N8 [N+0](a)(a)a -0.4458 2.819
N9 [N+0]#[A;!#1] 0.01508 1.725
N10 [NH3,NH2,NH;+,+2,+3] -1.95
N11 [n+0] -0.3239 2.202
N12 [n;+,+2,+3] -1.119
N13 [NH0;+,+2,+3]([A;!#1])([A;!#1])([A;!#1])[A;!#1] -0.3396 0.2604
N13 [NH0;+,+2,+3](=[A;!#1])([A;!#1])[!#1;A,a] -0.3396 0.2604
N13 [NH0;+,+2,+3](=[#6])=[#7] -0.3396 0.2604
N14 [N;+,+2,+3]#[A;!#1] 0.2887 3.359
N14 [N;-,-2,-3] 0.2887 3.359
N14 [N;+,+2,+3](=[N;-,-2,-3])=N 0.2887 3.359
NS [#7] -0.4806 2.134
O1 [o] 0.1552 1.08
O2 [OH,OH2] -0.2893 0.8238
O3 [O]([A;!#1])[A;!#1] -0.0684 1.085
O4 [O](a)[!#1;A,a] -0.4195 1.182
O5 [O]=[#7,#8] 0.0335 3.367
O5 [OX1;-,-2,-3][#7] 0.0335 3.367
O6 [OX1;-,-2,-2][#16] -0.3339 0.7774
O6 [O;-0]=[#16;-0] -0.3339 0.7774
O12 [O-]C(=O) -1.326 "order flip here intentional"
O7 [OX1;-,-2,-3][!#1;!N;!S] -1.189 0
O8 [O]=c 0.1788 3.135
O9 [O]=[CH]C -0.1526 0
O9 [O]=C(C)([A;!#1]) -0.1526 0
O9 [O]=[CH][N,O] -0.1526 0
O9 [O]=[CH2] -0.1526 0
O9 [O]=[CX2]=O -0.1526 0
O10 [O]=[CH]c 0.1129 0.2215
O10 [O]=C([C,c])[a;!#1] 0.1129 0.2215
O10 [O]=C(c)[A;!#1] 0.1129 0.2215
O11 [O]=C([!#1;!#6])[!#1;!#6] 0.4833 0.389
OS [#8] -0.1188 0.6865
F [#9-0] 0.4202 1.108
Cl [#17-0] 0.6895 5.853
Br [#35-0] 0.8456 8.927
I [#53-0] 0.8857 14.02
Hal [#9,#17,#35,#53;-] -2.996
Hal [#53;+,+2,+3] -2.996
Hal [+;#3,#11,#19,#37,#55] -2.996 "Footnote h indicates these should be here?"
P [#15] 0.8612 6.92
S2 [S;-,-2,-3,-4,+1,+2,+3,+5,+6] -0.0024 7.365 "Order flip here is intentional"
S2 [S-0]=[N,O,P,S] -0.0024 7.365 "Expanded definition of (pseudo-)ionic S"
S1 [S;A] 0.6482 7.591 "Order flip here is intentional"
S3 [s;a] 0.6237 6.691
Me1 [#3,#11,#19,#37,#55] -0.3808 5.754
Me1 [#4,#12,#20,#38,#56] -0.3808 5.754
Me1 [#5,#13,#31,#49,#81] -0.3808 5.754
Me1 [#14,#32,#50,#82] -0.3808 5.754
Me1 [#33,#51,#83] -0.3808 5.754
Me1 [#34,#52,#84] -0.3808 5.754
Me2 [#21,#22,#23,#24,#25,#26,#27,#28,#29,#30] -0.0025
Me2 [#39,#40,#41,#42,#43,#44,#45,#46,#47,#48] -0.0025
Me2 [#72,#73,#74,#75,#76,#77,#78,#79,#80] -0.0025
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