#VERSION 31212
#SAS_WMIN 42.675
#SAS_PROBE 1.4
#SAS_RESOLUTION 0.2
#FEATURE
#IDENTIFIER A
#COMMENT Acceptor (A)
#INCLUDE 
[N;X1]#[#6]                             vector(1)   0   1   -4   0   1   1.8
[N;X1]#CC                               vector(1)   0   1   -4   0   1   1.8
[N;X2](=C~[C,c])C                       vector(1)   0   1   -3   0   1   1.8
[N;X2](O)=N[a]                          vector(1)   0   1   -3   0   1   1.8
[N;X2](=N-O)[a]                         vector(1)   0   1   -3   0   1   1.8
[n;X2]1ccccc1                           vector(1)   0   1   -3   0   1   1.8
[n;X2]([a])([a])                        vector(1)   0   1   -3   0   1   1.8
[N;X2](=C~[C,c])(~[*])                  vector(1)   0   1   -3   0   1   1.8
[N;X3](C)(C)[N;X3]C                     vector(1)   0   1   -2   0   1   1.8
[N;X2](=C)(~[*])                        vector(1)   0   1   -3   0   1   1.8
[N;X2](~[C,c])=[N;X2]                   vector(1)   0   1   -3   0   1   1.8
[n;X2]1c[nH]cc1                         vector(1)   0   1   -3   0   1   1.8
O=[S;X4](=O)([!#8])([!#8])              vector(1)   0   1   -7   0   1   1.8
[O;X2]C                                 vector(1)   0   1   -5   0   1   1.8
[O;X2]N                                 vector(1)   0   1   -5   0   1   1.8
[O;X1]=[C,c]                            vector(1)   0   1   -6   0   1   1.8
o                                       vector(1)   0   1   -3   0   1   1.8
[O;X2](C)C                              vector(1)   0   1   -5   0   1   1.8
[O;X2]c1ncccc1                          vector(1)   0   1   -5   0   1   1.8
[O;X2]~[a]                              vector(1)   0   1   -5   0   1   1.8
O=PO([!#1])                             vector(1)   0   1   -7   0   1   1.8
[O;X2]                                  vector(1)   0   1   -5   0   1   1.8
[S;X2](C)C                              vector(1)   0   1   -5   0   1   1.8
[S;X2](=C)N                             vector(1)   0   1   -5   0   1   1.8
#EXCLUDE
O=C[O-,OH]                              point   0   1   0   1   1   1.8
[O-,OH]C(=O)                            point   0   1   0   0   1   1.8
[nH]([a])[a]                            point   0   1   0   0   1   1.8
[#7;X3][*]=[O,S]                        point   0   1   0   0   1   1.8
[N;X3](C)(C)[C;X3]                      point   0   1   0   0   1   1.8
[N;X3][a]                               point   0   1   0   0   1   1.8
N(=N=N)[#6]                             point   0   1   0   0   1   1.8
[NH2](C(=O)[NH2])                       point   0   1   0   0   1   1.8
[NH](C=O)(C=O)                          point   0   1   0   0   1   1.8
[NH2](S(=O)(=O)[#6])[#6]                point   0   1   0   0   1   1.8
[NH](S(=O)(=O)[#6])[#6]                 point   0   1   0   0   1   1.8
n1c([NH2])ccnc1([NH2])                  point   0   1   0   0   1   1.8
o1nccc1                                 point   0   1   0   1   1   1.8
o1cncc1                                 point   0   1   0   1   1   1.8
o1cccc1                                 point   0   1   0   1   1   1.8
[O;X2]C=O                               point   0   1   0   1   1   1.8
[O;X2]                                  point   0   1   0   1   1   1.8
#FEATURE
#IDENTIFIER D
#COMMENT Donor (D)
#INCLUDE 
[#1][O;X2]                              vector(1)   0   1   -1   0   1   1.8
[#1]S[#6]                               vector(1)   0   1   -1   0   1   1.8
[#1][C;X2]#[C;X2]                       vector(1)   0   1   -1   0   1   1.8
[#1][NX3]C(=[NX2])[#6]                  vector(1)   0   1   -1   0   1   1.8
[#1][#7]                                vector(1)   0   1   -1   0   1   1.8
#EXCLUDE
[#1]OC(=O)                              point(1)   0   1   0   0   1   1.8
[#1]O[S;X3]=O                           point(1)   0   1   0   0   1   1.8
[#1]O[S;X4](=O)(=O)                     point(1)   0   1   0   0   1   1.8
[#1]O[P;X3]=O                           point(1)   0   1   0   0   1   1.8
[#1]O[P;X4]=O                           point(1)   0   1   0   0   1   1.8
[#1]n1nnnc1                             point(1)   0   1   0   0   1   1.8
[#1]N([S;X4](=O)(=O))(C(F)(F)(F))       point(1)   0   1   0   0   1   1.8
[#1]([NH2;X3,NH3]([#6;X4]))             point(1)   0   1   0   0   1   1.8
[#1]([NH;X3,NH2]([#6;X4])([#6;X4]))     point(1)   0   1   0   0   1   1.8
[#1]([NH;X4]([#6;X4])([#6;X4])([#6;X4]))   point(1)   0   1   0   0   1   1.8
[#1][NX3]C(=[NX2])[NX3]                 point(1)   0   1   0   0   1   1.8
[#1][NX3]C(=[NX3+])                     point(1)   0   1   0   0   1   1.8
[#1][NX3+]=C[NH2]                       point(1)   0   1   0   0   1   1.8
[#1][NX3]C(=[NX2])                      point(1)   0   1   0   0   1   1.8
[#1][NX3][#6](=[NX2,NX3+])[#6]          point(1)   0   1   0   0   1   1.8
#FEATURE
#IDENTIFIER H
#COMMENT Hydrophobic (H)
#INCLUDE 
[a]F                                    group(2)   0   1   0   0   1   1.8
[a]Cl                                   group(2)   0   1   0   0   1   1.8
[a]Br                                   group(2)   0   1   0   0   1   1.8
[a]I                                    group(2)   0   1   0   0   1   1.8
[a]C(F)(F)(F)                           group(2,3,4,5)   0   1   0   0   1   1.8
[a][CH2]C(F)(F)(F)                      group(2,3,4,5,6)   0   1   0   0   1   1.8
[a]O[CH3]                               group(2,3)   0   1   0   0   1   1.8
[a]S[CH3]                               group(2,3)   0   1   0   0   1   1.8
[a]OC(F)(F)(F)                          group(2,3,4,5,6)   0   1   0   0   1   1.8
C(F)(F)(F)                              group   0   1   0   0   1   1.8
F                                       group   0   1   0   0   1   1.8
Cl                                      group   0   1   0   0   1   1.8
Br                                      group   0   1   0   0   1   1.8
I                                       group   0   1   0   0   1   1.8
default_aromatic_surface                group   0   1   0   1   1   1.8
default_aliphatic_surface               group   0   1   0   0   1   1.8
C[S;X2]C                                group   0   1   0   0   1   1.8
[S;X2]CC                                group   0   1   0   0   1   1.8
[S;X2]C                                 group   0   1   0   0   1   1.8
#EXCLUDE
#FEATURE
#IDENTIFIER N
#COMMENT Negative (N)
#INCLUDE 
O=C[O-]                                 group(1,3)   0   1   0   0   1   1.8
O=C[OH]                                 group(1,3)   0   1   0   0   1   1.8
[S;X4](=O)(=O)([OH])                    group(2,3,4)   0   1   0   0   1   1.8
[S;X4](=O)(=O)([O-])                    group(2,3,4)   0   1   0   0   1   1.8
[S;X3](=O)([OH])                        group(2,3)   0   1   0   0   1   1.8
[S;X3](=O)([O-])                        group(2,3)   0   1   0   0   1   1.8
[P;X4](=O)([OH])([OH])                  group(2,3,4)   0   1   0   0   1   1.8
[P;X4](=O)([OH])([O-])                  group(2,3,4)   0   1   0   0   1   1.8
[P;X4](=O)([O-])                        group(2,3)   0   1   0   0   1   1.8
[P;X4](=O)([OH])                        group(2,3)   0   1   0   0   1   1.8
n1nc[nH]n1                              group   0   1   0   0   1   1.8
n1ncnn1                                 group   0   1   0   0   1   1.8
[#1]N([S;X4](=O)(=O))(C(F)(F)(F))       group(2,3,4)   0   1   0   0   1   1.8
[-]                                     group(1)   0   1   0   0   1   1.8
#EXCLUDE
[-][+]                                  group   0   1   0   0   1   1.8
#FEATURE
#IDENTIFIER P
#COMMENT Positive (P)
#INCLUDE 
[NX3][#6](=[NX2,NX3+])[#6]              group(3)   0   1   0   0   1   1.8
[NX2,NX3+]=[#6]([NH;X3])([NH;X3])       group(1,3,4)   0   1   0   0   1   1.8
[NX2,NX3+]=[#6]([NX3])([NX3])           group(1)   0   1   0   0   1   1.8
n1c([NH2])ccnc1([NH2])                  group(1)   0   1   0   0   1   1.8
[NX2,NX3+]=C([NX3])c1ccccc1             group(1,2,3,4)   0   1   0   0   1   1.8
[NH2;X3,NH3]([#6;X4])                   group(1)   0   1   0   0   1   1.8
[NH;X3,NH2]([#6;X4])([#6;X4])           group(1)   0   1   0   0   1   1.8
[NX3,NH]([#6;X4])([#6;X4])([#6;X4])     group(1)   0   1   0   0   1   1.8
N1CCCCC1                                group(1)   0   1   0   0   1   1.8
[+]                                     group(1)   0   1   0   0   1   1.8
#EXCLUDE
[c;X2]1ccnc([NH2])n1                    group   0   1   0   0   1   1.8
c1([NH2])ccn[c;X2]n1                    group   0   1   0   0   1   1.8
[N;X3][C;X3]=[O;X1]                     group   0   1   0   0   1   1.8
[N;X3][S;X4](=O)(=O)[*]                 group   0   1   0   0   1   1.8
[NH2][*]=,@[#7]                         group(1)   0   1   0   0   1   1.8
[NH]([#6])[*]=,@[#7]                    group(1)   0   1   0   0   1   1.8
N([#6])([#6])[*]=,@[#7]                 group(1)   0   1   0   0   1   1.8
n1ccccc1                                group(1)   0   1   0   0   1   1.8
[+][-]                                  group   0   1   0   0   1   1.8
#FEATURE
#IDENTIFIER R
#COMMENT Aromatic Rings (R)
#INCLUDE 
default_aromatic_vector                 group   0   1   -8   0   1   1.8
default_aromatic_surface                group   0   1   0   1   1   1.8
#EXCLUDE
#FEATURE
#IDENTIFIER X
#COMMENT Custom
#INCLUDE 
default_aromatic_vector                 group   0   1   -8   1   0   0
default_aromatic_surface                group   0   1   0   1   0   0
default_aliphatic_surface               group   0   1   0   1   0   0
#EXCLUDE
#FEATURE
#IDENTIFIER Y
#COMMENT Custom
#INCLUDE 
default_aromatic_vector                 group   0   1   -8   1   0   0
default_aromatic_surface                group   0   1   0   1   0   0
default_aliphatic_surface               group   0   1   0   1   0   0
#EXCLUDE
#FEATURE
#IDENTIFIER Z
#COMMENT Custom
#INCLUDE 
default_aromatic_vector                 group   0   1   -8   1   0   0
default_aromatic_surface                group   0   1   0   1   0   0
default_aliphatic_surface               group   0   1   0   1   0   0
#EXCLUDE
