Migrated from GitHub

data/info/codes_drug.txt

@@ -0,0 +1,1290 @@
+#version: 0.2
+C C
+O )
+C (
+CC CC
+c c
+[ C
+[C @
+H ]
+= O)
+C )
+( O)
+[C@ H]
+C( =O)
+C =
+[C@ @
+c 1
+( C)
+[C@@ H]
+CCCC CCCC
+( =O)
+C( O)
+c 2
+( C
+CC C=
+C 1
+c (
+C( C)
+c1 cc
+O C
+c (O)
+c 3
+[C@H] (O)
+CC C
+CCC= CCC=
+C O
+[C@H] (C
+C= C
+P (=O)
+c2 cc
+O C(=O)
+O C(
+CCCC CC
+O CC
+/ C=C
+C 2
+[C@@H] (O)
+C(O) C(O)
+[C@@H] (
+P(=O) (O)
+N )
+CC (=O)
+[C@H] (
+[C@H] 1
+C O)
+O [C@H](C
+[ O
+O =
+[O -
+C(=O) O)
+CC (C)
+CC 1
+[C@@H] 1
+[O- ]
+C 3
+2 )
+c3 cc
+OC(=O) CCCCCCCC
+[O-] )
+[C@ ]
+c(O) cc
+c 4
+N C(=O)
+OC( CO)
+/C=C /
+c n
+O P(=O)(O)
++ ]
+C(=O) N
+[C@H] 2
+O [C@@H]
+c1cc cc
+[ n
+O C)
+= C
+) cc
+O[C@H](C O)
+c 1</w>
+[ N
+[n H]
+[C@@ ]
+CO c1cc
+OC(CO) C(O)C(O)
+(C) CC
+/C=C \
+( [O-])
+c(O) c(O)
+[C@@H] (C
+[N +]
+CCC 2
+c1 )
+C(=O) O</w>
+C(=O) OC
+c2cc cc
+O C1
+c (=O)
+3 )
+F )
+C(C) (C)
+[C@H] 3
+C 4
+= O</w>
+c (C
+CCC=CCC= CCC=CCC=
+CCCCCC =
+c( -
+CCC 4
+P(=O) ([O-])
+c2 )
+OC 2
+CC (
+CO P(=O)(O)
+C(C) =O)
+CCCCCCCC CCCCCCCC
+(C) (C)
+cc (O)
+C1 O</w>
+CC =
+C [C@H](O)
+C N
+C 5
+c1 n
+1 )
+S (=O)
+CC (O)
+( C(=O)O)
+[N+] (C)(C)
+CCCC C
+c1cc c(
+[C@@H] 2
+CC N
+c2 c(
+C= C(
+C2 O)
+= C(
+P(=O)([O-]) OCC
+CCC= CCCCCCCC
+[C@@H](O) [C@H](O)
+P(=O)([O-])OCC [N+](C)(C)
+c( OC)
+C(C) C)
+C( OC
+CO C(=O)
+C( =
+S(=O) (=O)
+[C@H](O) [C@H](O)
+O= C(
+cc (
+C(=O)OC [C@H](C
+(C O)
+O= C(O)
+c1 O</w>
+C(C) =C
+= N
+c (C)
+CC 2
+O [C@]
+O[C@H](C OC(=O)CCCCCCCC
+O [C@@H](
+N C(C)=O)
+O) [C@H](O)
+O[C@@H] 2
+CC C1
+C= CCCCCCCC
+CCC 3
+c 5
+4 )
+CCCC (=O)
+cc 1
+[C@@H] 3
+l )
+c4 cc
+CCCCCC C</w>
+cc 1</w>
+O [C@@H]1
+[C@@] 2
+OP(=O)(O) O)
+C c1cc
+C 6
+C /C=C\
+c( N)
+C[C@H](O) [C@@H](
+CCCCCCCC C</w>
+C= C(C)
+C3 O)
+c3 )
+CC C(
+C 1</w>
+(C(=O)O) C[C@H](O)[C@@H](
+(C(=O)O)C[C@H](O)[C@@H]( NC(C)=O)
+CCCCCCCC (=O)
+c2 n
+/ C=C(
+[C@@H] (C)
+(C(=O)O)C[C@H](O)[C@@H](NC(C)=O) C(
+OCC (O)
+O C(C)
+(C) C3
+CCCCC C</w>
+OC [C@H](C
+COc1cc (
+CC 3
+CCCCCC= CCC=CCC=
+CC(C) =
+CC [C@]
+c1 2</w>
+c3cc cc
+OC 3
+C1 CCC2
+c2cccc c2
+c1cccc c1</w>
+cn c3
+C) COP(=O)(O)
+N =
+O [C@H]1
+c2cc (O)
+[C@H] (C)
+[C@H] 4
+n 2
+C) OC(=O)CCCCCCCC
+[C@@H](C O)
+CCCC (C)
+c1cccc c1)
+CCC= CCCCCC
+c3cc (O)
+[C@H]1 O</w>
+c1cc (O)
+C= C1
+C [C@H](
+( F)
+c(N) n
+CC C(C)
+CC C(=O)
+cc 2
+O 1</w>
+CC(=O) N
+C1 O)
+[C@H]( O[C@@H]
+[C@@H]1 O</w>
+CCC N
+C O</w>
+/ C(C)=C
+l )cc
+3 C)
+\ C)
+O P(=O)([O-])OCC[N+](C)(C)
+c2cccc c2)
+P(=O)([O-])OCC[N+](C)(C) C</w>
+CO P(=O)([O-])OCC[N+](C)(C)C</w>
+OP(=O)(O) OCC
+c [nH]
+cc 3
+CC 1</w>
+1 2
+n 1
+CC1 (C)
+c(O)cc (O)
+CCCCCC (=O)
+O [C@H](
+OC [C@H]1
+CCC3 (C)
+OCC N</w>
+O[C@H](CO) [C@@H](O)[C@H](O)
+CC1 =
+CC )
+OC(=O) CCCC
+CC(=O) O)
+C(O)C(O) C1O</w>
+O= C1
+CC C(=O)O)
+C c1
+F )cc
+C 7
+CCCCCCCC CCCC
+O 3)
+C(C) C</w>
+c2cc c(
+CCCCCC= CCC=CCCCCCCC
+C [C@]
+OP(=O)(O)OCC N)
+c1cc c(O)cc
+OC 6
+C(=O) O[C@H](COC(=O)CCCCCCCC
+CC [C@@]2
+OC 4
+/C=C( \C)
+C S
+[C@H]2 O)[C@H](O)
+c2c( c1)
+OCC 1
+O[C@H](CO) [C@@H](
+c2cc (
+c3 c(
+CCCCCCCC C=CCCCCCCC
+C6 O)
+. [
+F) (F)
+c2cc c(O)cc
+[C@H]2 O)
+OC(=O)CCCCCCCC =
+CCC= CCCC
+CCN (
+CC(C) (C)
+[C@H](O)[C@H](O) CO)
+CCC 5
+C(O) =N
+c1cc (
+c( N
+5 )
+C1 =O</w>
+CCC= CCCCCC</w>
+[C@H]( O[C@]
+[C@@] 1
+(C) C)
+O[C@H](CO) [C@H](O)
+O 2)
+/ C(
+C4 O)
+N= C(O)
+CC C</w>
+1 C</w>
+C [C@@H](O)
+O[C@H](CO)[C@@H]( O[C@@H]2
+O C</w>
+c(O)c(O) c1)
+(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C( [C@H](O)[C@H](O)CO)
+N c1n
+= CC(=O)
+OC[C@H]1 O[C@@H](
+cc c1O</w>
+O[C@@H] (CO)
+OCC(O) C(O)
+c(C l)cc
+c1cccc c1
+C=C \
+CC NC(=O)
+[C@H]( N)
+O .
+CC [C@H]2
+OP(=O)([O-])OCC[N+](C)(C) C)OC(=O)CCCCCCCC
+OC(CO)C(O)C(O) C2O)
+C) COP(=O)([O-])OCC[N+](C)(C)C</w>
+C( F)(F)
+O[C@@H]1 O[C@H](CO)[C@@H](O[C@@H]2
+OC(CO)C(O)C(O) C3O)
+C5 CCC4
+O C(C)=O)
+(C) C</w>
+C)COP(=O)(O) OCCN</w>
+CCCC CCC=CCCCCCCC
+S(=O)(=O) O)
+/C(C)=C /
+c2 c1
+C5 (C)CC
+2 c(
+O[C@H](CO) [C@H](O)[C@H](O)
+C [C@H]1
+c(O)c(O) c2)
+OC(CO) C(O)
+[C@H](O) [C@@H](CO)
+O[C@@H](CO) COC(=O)
+S )
+c2ccc(O)cc 2)
+B r
+OC2 OC(CO)C(O)C(O)C2O)
+N =C(
+CC =C
+c3cccc c3
+OC( C
+O3) [C@H]2O)[C@H](O)
+[C@H](O[C@] 3
+[C@H](O)[C@@H](CO) O[C@]
+C7 O)
+C [C@@H]1
+(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C( [C@H](O)[C@@H](CO)O[C@]
+CCC4 C5(C)CC
+[O- ]</w>
+O 4)
+C/C=C\ C/C=C\
+OC( C(=O)O)
+CCCCCCCC CCCCCC
+O[C@H]1 C(O)C(O)
+N 1
+CCC1 2
+CN 1
+c4 )
+c(=O) [nH]
+[C@@H](O) [C@@H]1O</w>
+C(= N)
+c2 [nH]
+4 (C)
+N) =O)
+OC1 OC(CO)C(O)C(O)
+CO C1
+c o
+n2 cnc3
+[C@@H] 4
+O [C@H]2
+c(O) c(OC)
+c(- c3cc
+[C@H](O[C@@H] 3
+OCC1 OC(
+O3)[C@H]2O)[C@H](O) [C@H]1
+C(O) C(C)(C)
+cnc3 2)
+C(C) CCC=
+C( CO)
+/C( =C
+c1cc c(O)c(O)c1)
+C(=O)N [C@@H](C
+C 2</w>
+[C@H]4 O)
+CCCCCCCC CCCCCCC</w>
+C [C@@H](
+c(C l)
+OC [C@@H](O)
+(C) C4
+n 1</w>
+c3 c(=O)
+CC OC(=O)
+CC(C) C)
+OC(C) C(O)C(O)
+O P(=O)([O-])
+c2cc 3
+O 2</w>
+CCC=CCCCCC )
+C1 =
+OP(=O)(O)OCCN) OC(=O)CCCCCCCC
+CCC=CCC=CCC=CCC= CCC=CCC=
+CO c1
+C1CCC2 C3
+c 6
+C5CCC4 3C)
+c(O) c(
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2 O[C@H](CO)
+C( C
+c(N)n cnc32)
+C(=O)N [C@@H](
+c1cccc (
+[C@H]3 O)
+[N+] (=O)
+n2cnc3 c(N)ncnc32)
+C(OC 7
+2) cc1</w>
+c(O)c(O) c1</w>
+/C=C/ C(C)=C
+N 2
+c3 c2
+C1 2
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO) [C@H](O[C@@H]3
+o +]
+\ C=C\
+[ o+]
+CCC=CCC=CCC=CCC=CCC=CCC= CCCC(=O)
+CC [C@@]
+CC C(O)
+CCCC C</w>
+O) OC(=O)CCCCCCCC
+c1ccc(O)cc 1)
+CC /C=C(\C)
+C2O) C(O)C(O)C1O</w>
+C2 )
+c2 o
+= CCC=CCC=
+CC S
+O= c1
+C /C=C/
+/ C)
+C(OC 3
+1 C)
+OP(=O)(O) OP(=O)(O)
+c2 c1</w>
++ 2
+cn 2
+CC(=O) O</w>
+O 5)
+[C@@H]( OP(=O)(O)O)
+C[C@] 12
+c s
+CC1 OC(
+)cc 1</w>
+cc 4
+CCC=CCC= CCC=CCCCCCCC
+C(=O)N 1
+O c1cc
+C(OC 6
+C #
+CCCCCCCC(=O) OC[C@H](C
+] .
+( C(=O)
+c3 n
+C5CCC43C) C2
+[N a
+C(C)CCC= C(C)CCC=
+CC(C) =O)
+C(=O)OC 2
+OCC 2
+cc( -
+c2 1</w>
+c(O)c(O) c3)
+c(- c2cc
+OC 5
+O= P
+[O-] .
+CCCCCC=CCC=CCC= CCC=CCCC
+CC #
+(C) C1
+(C 2
+c3cccc c3)
+[C@@H]2 O)
++ ]</w>
+C=C(C) /C=C/
+(C l)
+C(=O)OC[C@H](C OP(=O)(O)
+C(= CCC4C5(C)CC
+C =O)
+c5 cc
+cc( OC)
+[N+](=O) [O-])
+OCC (C
+CC= C(C)C)
+O[C@H](C O
+c3cc (
+[C@H](O[C@]3 (C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]
+[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@] 4
+CC c1
+c3cc(O) cc(O)
+[C@H]3 CC(C)=O)
+[C@@H](O) [C@H](C
+O[C@H]1C(O)C(O) C(O)
+CC /C=C\
+OC(CO)C(O)C(O) C4O)
+O=C( [O-])
+CC1 CCC2
+OC[C@H]1O[C@@H]( n2cnc3c(N)ncnc32)
+NC(=O) [C@H](
+[C@H]1 CC[C@H]2
+O4) O3)[C@H]2O)[C@H](O)[C@H]1
+c4 cc(O)
+N C(
+C n1
+C C</w>
+C5 O)
+c4cc c(O)cc
+O[C@H](CO) [C@@H](O)
+CCC=CCC=CCC=CCC= CCC=CCCCCC
+cc c1
+COc1cc c(
+C= CCC=CCC=
+C( OC(=O)
+C c1ccc(
+[C@H](O) [C@@H](O)
+[C@H](O[C@@H] 4
+OC(=O)CCCC =CCC=CCC=
+CC C(=O)N
+4(C) [C@H]3
+C(=O)OC[C@H](C OP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
+(C) C(
+c3cc c(
+[ S
+O[C@@H] 3
+COc1cc( -
+OC3 OC(CO)C(O)C(O)C3O)
+N [C@@H](C
+C l</w>
+CCCC(C) =
+CC 4
+cn c2
+CC1 2
+c4cc cc
+c4 c(
+O=C( /C=C/
+O) NC(=O)
+CC(=O) OC1
+n c(
+C l)
+OP(=O)(O) O</w>
+= CCCCCCCCC</w>
+3 )cc
+CC 2)
+C6 OC6
+C(=N) N)
+C c1n
+Br )
+5 (C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)
+5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO) O5)
+n (
+c(O)cc 3)
+C1 (C)CC
+CC /C(C)=C/
+[C@@H]( N)
+CC(C)= CCC
+cc 2)
+c1cc(O) c(O)c(O)c1</w>
+c(=O) o
+O[C@H](CO)[C@H](O) [C@H](O[C@@H]4
+COc1cc( /C=C/
+CCC4 (C)C3
+C(O) C1O</w>
+OC 7
+S S
+O S(=O)(=O)O)
+CC1 =C(
+CC OCC
+C(=O) O[C@@H](CO)COC(=O)
+C NC(=O)
+c2 3)
+/C=C( /C)
+OP(=O)([O-])OCC[N+](C)(C) C)
+CCCCC /C=C\
+CCCCCCCCCCCCCC =C
+CC3 C4
+] (=O)
+I )
+CCCCCCCCCCCCCC=C [C@@H](O)[C@H](C
+CCCCCC= CCC=CCC=CCC=CCC=
+CCC=CCC=CCC=CCC= CCC=CCCC
+3 (C)
+CCC12 C</w>
+C= O</w>
+C5CCC43C)C2 C1</w>
+c[nH] c2cccc
+C(F)(F) F)
+(O) (O)
+COc1cc (O)
+o 1</w>
+c1ccc(O)cc 1</w>
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3 O[C@H](CO)[C@H](O)[C@H](O[C@@H]4
+(C =O)
+c2cc c(O)c(O)c2)
+O. O.
+CCC3(C) C(=CCC4C5(C)CC
+O c2cc(O)
+CC=C 4
+n 3
+[C@H](O) [C@@H]1
+[C@H] 5
+c1 2)
+/C(=C \
+= CCCCCCCC
+OC(CO)C(O)C(O) C6O)
+(C)CC (O)
+c1n cn2
+N (
+C2 =
+c4 c3
+CC(C) (O)
+c2 O)
+OC4 OC(CO)C(O)C(O)C4O)
+OC1OC(CO)C(O)C(O) C1O</w>
+O= S(=O)
+COP(=O)(O) OCCN</w>
+c1 =O</w>
+c(C 2
+[n +]
+c1 cn
+c(OC) c(OC)
+CC[C@] 4(C)[C@H]3
+n 2)
+c1 O)
+CCCC 1
+cc 1)
+S CCNC(=O)
+2c( cc1
+SCCNC(=O) CCNC(=O)
+c(O)cc 3
+c2 )cc
+CCCCCC=CCC=CCC=CCC=CCC= CCCC(=O)
+CC [C@H]3
+[ P
+CCC=CCC=CCC=CCC= CCCCCC(=O)
+CC [C@@H]1
+C(=O)OC[C@H](C O)OC(=O)CCCCCCCC
++2 ]</w>
+c2 -
+[C@H]4O) [C@H]3CC(C)=O)
+OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32) [C@H](O)[C@@H]1
+O)[C@H](O) CCCCCCCCCCCCCCC</w>
+CCC5 (C)C4
+C(O) C(C)
+C [C@H]2
+(=O) =O)
+( N)
+c1 C</w>
+] .[
+N [C@@H](
+CCCC CCC
+[C@@]1 (C)CC
+C2 =O</w>
+CCCC(C)= CCCC(C)=
+CC(=O) [O-])
+C3 =
+O C(C)(C)
+CC[C@@]2 1C</w>
+C= CC
+C(=O)OC[C@H](C OP(=O)(O)OCCN)OC(=O)CCCCCCCC
+COP(=O)(O) OP(=O)(O)
+CN (C)
+N (C)
+CCC4 =CC(=O)
+CC( OC6
+C(OC 4
+[C@] 1
+CCCCCCCC CCC</w>
+CC1(C) CCC2
+OC(CO)C(O)C(O) C7O)
+O=P (O)(O)
+CCCCCCCCCCCC C</w>
+CCCC 2
+CC [C@H](
+C /
+# N)
+N c1cc
+N S(=O)(=O)
+CN (
+c1cccc 2
+[C@@H](C OC(=O)CCCCCCCC=
+N=C( N)
++ 3
+C1 )
+c4ccc(O)cc 4)
+cn (
+[N H
+OC(C) =O</w>
+N #
+C( OP(=O)(O)O)
+COP(=O)(O) O</w>
+C(C) (O)
+o c(=O)
+c2 c(=O)
+C(O)C(O) C2O)
+C( OC2
+cnc2 c1ncn2
+cc (C)
+O [C@H]3
+C 8
+n 4
+c1 c(
+O[C@H]( C(=O)O)
+C(OC6 OC(C(=O)O)
+C(C)(C) O)
+C(=O)N 2
+o c2cc(O)
+[C@@H](O) [C@H]1O</w>
+N 3
+CCCCCC C)COP(=O)(O)
+CCCC(=O) O</w>
+cc(O) c(O)
+c1cc c2c(c1)
+CC1OC( OC2
+CC [C@@H](C)
+[C@@] (C)
+CCC [C@H]1
+CC [C@@H]2
+CC O
+CCCCCCCC(=O) O[C@H](COC(=O)CCCCCCCC
+C(=O)O) C(=O)O</w>
+CC[C@] 2
+CC/C=C(\C) CC/C=C(\C)
+C1CCC2 (C)C3
+cc1 O</w>
+[nH] c(
+[Na +]</w>
+C(O) C1
+= C(O)
+( OC1
+c3cc 4
+CCCCCCCCCCCCCCCC (=O)
+c3 -
+[P @
+N CC
+CC[C@@]2 1C)
+C3 )
+c1cc( -
+[C@] 2
+COc1cc 2
+CCCN 1
+CCCCCC=CCC=CCC= CCC=CCCCCC
+CCCC C=CCCCCCCC
+C1O) OC(=O)CCCCCCCC
+C( N)
+cc cc
+NC(=O) [C@H](C
+N 1</w>
+C=C(C) \C=C\
+4 3C)
+O 1)
+C1 C2
+c(O)c(O) c4)
+CCCCCC )
+= N)
+c2ccccc2 1</w>
+CCCCCCCC CC
+CC= CCCCCCC</w>
+C1 =C
+C(O) C2O)
+C(=O)OC[C@H](C OP(=O)(O)OCCN)
+cc(O) c12</w>
+c(O)cc 2
+[C@@] 3
+O[C@@H] 4
+OC[C@H](C OP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
+C(=O) C(
+C c1ccccc1</w>
+(C l)cc
+o 2)
+c2cc(O) c(O)c(O)c2)
+[O-] .[
+C3 (C)CC
+cn c5
+OC1OC(CO)C(O)C(O) C1O)
+OC(CO)C(O)C(O) C1O</w>
+OC [C@H]2
+CC [C@@H]3
+C [C@H]3
+s 1</w>
+c2cc 1
+O[C@H]1C(O)C(O)C(O) [C@@H](O)
+OCC2 OC(
+CCC12 C)
+CC c1cc
+C=C 2
+c2 c(O)cc(O)
+[C@H](N) C(=O)O</w>
+OCC OCC
+Cc1cc (
+CCCN 2
+C(OP(=O)(O)O) [C@@H](OP(=O)(O)O)
+( C(=O)OC
+c3c2 =O)
+c1 c(O)cc(O)
+CC= C(C)
+CC1 )
+/ N
+c3cc 2
+CCCCCC=CCC=CCCCCCCC CCCC
+C [C@@H]2
++] .
+(O) (
+c(O) c1
+CCCCCCCCCCCCCCCC CC(=O)
+CC 5
+= CCC=CCCCCC</w>
+[C@H]1CC[C@H]2 [C@@H]3
+[C@H](O) C(C)(C)
+O c2
+C[C@H]( N)
+C(=O) OC1
+c3cc c(O)cc3)
+F e
+CCCCCC=CCC=CCC= CCCCCC(=O)
+CCCCC 1</w>
+/C=C/ C=C(C)/C=C/
+c3 c(O)cc
+c2 =O)
+C= CCCCCCCCCCCCCCCC
+O[C@@H] (C)
+CCCCCCC=CCCCCCCC CC
+C( N)=O)
+( OC)
+c3c(=O) c2
+CCC /C=C\
+C(O) C2
+= S)
+n n
+c4cc(O) cc(O)
+c(C =O)
+O c1cc(O)
+C(=O)N [C@H](
+[C@H]4O)[C@H]3CC(C)=O) [C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4
+OC1 CC3C4
+OC(CO)C(O)C(O) C5O)
+C1 (C)
+5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5) O4)O3)[C@H]2O)[C@H](O)[C@H]1
+(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@] 5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1
+](=O) (O)
+Nc1n cnc2c1ncn2
+CC [C@H]4
+C( OC(C)=O)
+O c1ccc(
+CCCN C(=N)N)
+C2 =O)
+C(C) =O</w>
+O[C@H](C OC(=O)CCCC
+OC( COC(=O)
+O=C( N
+N C1=O</w>
+CCCCCCCCC=CCCCCCCC CCCCCC
+CC(C) (
+C1 CC
+c(C 3
+O[C@H](C(=O)O) [C@@H](O)[C@H](O)
+COc1cc c(-
+[C@@H]3 O)
+O[C@H]1C(O)C(O) C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)
+OC(=O) /C=C/
+CC[C@] 12
+CCN 1
+CC2 3
+CC O)
+/C=C /C=C/
+cc n
+c(=O)[nH] 1</w>
+[C@H](N) C(=O)O)
+[C@@]1 (O)
+CC= CCCCCCCCC</w>
+C6OC6 OC(CO)C(O)C(O)C6O)
+C(O) CC1
+cc c3
+O c3
+COP(=O)(O)OP(=O)(O) OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1
+CCC(=O) O[C@H](COC(=O)CCCCCCCC
+CC1= C(C)
+CC(C)= CCc1
+C8 O)
+C2 (C)
+C(C)(C) C)
+C(=O) O
+OC O
+CCCCCCCC C=CCC=CCC=
+CCCCCCCCC=CCC=CCC= CCCC
+C2 3
+/C(C)=C \
+c1 -
+O C=CCCCCCCC
+CCCC N)
+CCC5(C)C4 CCC3(C)
+o c3
+cc 5
+c -
+SCCNC(=O)CCNC(=O) C(O)C(C)(C)
+C(=O)N1 CCC[C@H]1
+4 (C)C3
+(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO) O4)O3)[C@H]2O)[C@H](O)[C@H]1
+c4cc c(O)c(O)c4)
+COP(=O)(O) OC
+CC[C@@]2 (C)
+CCCCCC C)OC(=O)CCCCCCCC
+C(C) =
+- ]
+c1cc c(-
+c( C(=O)O)
+O c2cc3
+N (C)C)
+CCC=CCC=CCC=CCC= CCCCCCCC(=O)OC[C@H](C
+C1 2</w>
+C( C(=O)O)
+[C@H](O[C@]3 (C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)
+OCC1OC( OC2
+O C(O)
+CCCCCCCC C)OC(=O)CCCCCCCC
+CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O) OC[C@H](C
+C7 OC7
+/C(=C /
+cc (C
+c1 c(C)
+c 7
+[C@H](O) [C@@H](O)[C@@H]1O</w>
+N CCC
+CC (C
+C(=O) OCC(C
+(OC1 )
+cc 3)
+[C@@H]( NC(=O)
+N CCCC
+CC(C)= CCCC(C)
+C /C(=C\
+c(O)cc(O) cc3
+O[C@H]1C(O)C(O)C(O) [C@@H](OP(=O)(O)O)
+C= CC(=O)
+C(=O) [O-]</w>
+OC(=O)CCCCCCCC= CCCCCCCCC</w>
+CC[C@H]2 [C@@H]3
+CC(C) (C
+C1C2 C</w>
+c3 O)
+[Na +].
+CCCCCC C)COP(=O)([O-])OCC[N+](C)(C)C</w>
+CC(=O) OCC
+CC( N)
+C(O)=N [C@@H](
+C(= C)
+c2[nH] 1</w>
+[N+](C)(C) C</w>
+[C@H] 6
+[C@@H](C OC(=O)CCCCCCCC
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4 O[C@H](CO)[C@H](O)[C@H](O)
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3 O[C@H](CO)[C@H](O)[C@H](O)
+CCCCCCCCC=CCCCCCCC CCCC
+C= CC(C)(C)
+C(O) CC2
+C(CO) OC(
+C(=O) [O-])
+Br )cc
+4 )cc
+[C@@] 12
+[C@@H](O) [C@@H](O)
+O=C(/C=C/ c1ccc(O)cc1)
+CCC2 (C)
+C=CCCCCCCC CCCCCC</w>
+C(OC 8
+C(= N
+(OC1) OC1CC3C4
+O c2cc
+CC[C@] 4(C)C3
+CCC 6
+CC1 (O)
+C(F)(F) F)cc
+c1cc 2
+[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO) O3)[C@H]2O)[C@H](O)[C@H]1
+O[C@H](CO)[C@H](O) [C@H](O[C@]
+O[C@H](CO)[C@@H](O)[C@H](O) [C@H]2O)
+CC1= CC(=O)
+C1 C</w>
+= CC(C)
+O[C@H](CO)[C@@H](O)[C@H](O) [C@H]3O)
+NC(=O) C(
+CCC [C@@H](C)
+CC [C@@H]4
+C2 C3
+C(C) (CO)
+C(=O) OCC
+c[nH]c2cccc c12)
+c(- c4ccc(O)cc4)
+[P@ @
+O[C@H](CO C=CCCCCCCC
+CC O</w>
+C(C)CCC=C(C)CCC= C(C)CCC=C(C)CCC=
+2) CC1</w>
+cn 1</w>
+c3cc c(O)c(O)c3)
+c2cc c(Cl)cc
+c(O) c1</w>
+OCC(O) COP(=O)(O)OC
+OC(CO) C(OC7
+O)NC(=O) CCCCCCCCCCCCCCCC
+CCCCCCCC C)COP(=O)(O)
+CCCCCC C)COP(=O)(O)OCCN</w>
+CCCC(C) CCCC(C)
+CCC= C(C)C)
+CC1 (C)CC
+CC/C(C)=C/ CC/C(C)=C/
+CC(C)=CCC /C(C)=C/
+/C=C/ C(=O)
+n (C)
+co 1</w>
+c3cc(O) c(O)c(O)c3)
+c3c( c2)
+c1cccc (O)
+c1 OC</w>
+c( F)
+[C@@H](O) C
+[C a
+OCC 3
+CCCC (C)(C)
+CC1CCC2 (OC1)OC1CC3C4
+CC C(=O)O</w>
+C6O) C(C)(C)
+C(O)C(O) C3O)
+43C) [C@@H]1
+/C=C/C(C)=C /C=C/C(C)=C
+c1cc(O) c(O)c(O)c1)
+[C@@H](O) [C@H]2O)
+O= c1cc(-
+COc1cc 2c(cc1
+COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1 OP(=O)(O)O</w>
+CC [C@H]1
+C1 (O)
+- ].
+OC[C@H]2 O[C@@H](
+OC O2</w>
+CCCCCC (O)
+CC 2</w>
+C1CCC2 (C)C1
+( CC)
+c2cccc (
+[C@H]5 O)
+[C@H](C O)
+O=S(=O) (O)
+Cc1cc (O)
+CCCCCCCC C)COP(=O)(O)OCCN</w>
+CC=C 5
+CC(=O)O) C(=O)O</w>
+CC( N)=O)
+C l
+(C(=O)OC 3
+c( C(=O)
+[C@@H]1 O[C@H](C
+O[C@H](CO)[C@H](O)[C@H](O[C@] 5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)
+O[C@H](CO)[C@@H](O)[C@H](O) [C@H]1O</w>
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4 O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)
+O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2 O[C@H](CO)[C@H](O)
+O[C@@H] 5
+M g
+C=C1 CC23
+cc(OC) c1O</w>
+c2 [o+]
+c1cc c(Cl)cc
+c(=O) c2
+[C@] 3
+S (C)
+OC5 OC(CO)C(O)C(O)C5O)
+O S(=O)(=O)
+CO C(
+CC[C@]4(C)[C@H]3 CC[C@@]21C</w>
+CC(=O)N [C@H]1
+CC 3)
+C1 =N
+oc2cc(O) cc(O)c12</w>
+cc1 OC</w>
+c2n 1</w>
+[O- 2
+[N+] ([O-])
+Oc1cc(O) c2c(c1)
+CCCCCCCC /C=C\
+CCCCCC=CCC=CCC= CCCCCCCC(=O)OC[C@H](C
+CCC= C(C)C</w>
+CCC( C(O)
+CC3 (C)
+CC /C=C/
+C1 OC1
+C(C) C2
+C(=O) C(C)(C)
+6 )
+(C)CC 3
+c3cc4 c(
+c1cc cn
+OC1 =O</w>
+C[C@]12 CC[C@H]3
+CCC C</w>
+S (N)
+NC(=O) N
+COc1cc (C2
+CCN( CC)
+CCCCCCCCCCCCCCCC CCCCCCCC
+C(O)CC1 C3(C)CC
+n cn
+c2ccc(O)cc 2
+c1cc c(C
+OC(CO)C(O)C(O) C4
+CCCCCCCC C)COP(=O)([O-])OCC[N+](C)(C)C</w>
+CCC4 C(C)
+CC# CC#
+=C( C(=O)
+c4cccc c4
+[O H
+[C@H]1 O)
+Oc2 c(-c3cc
+O[C@@H]2 O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)
+OC[C@H](C OP(=O)(O)OCCN)OC(=O)CCCCCCCC
+O)[C@H](O) C=CCCCCCCCCCCCCC</w>
+CC(O) CCC4(C)C3
+CC C)
+(=O) c3
+% 1
+o c2
+c[nH]c2cccc c12</w>
+c4c3 =O)
+S(N) (=O)=O)
+O[C@H]( c1ccc(O)c(O)c1)
+OC[C@@H](O) CO</w>
+O= [N+]([O-])
+N c1ccc(
+CO [C@@H]1
+CC(C) C(C)
+C(O) C6O)
+= CCC=CCCCCC)
+([O-]) ([O-])
+c3cc(O) c(O)c(O)
+c2 cn
+c2 c[nH]
+]. [O-2
+[C@] (C)
+[C@@H]2 O[C@H](C
+[C@@H](COC(=O)CCCCCCCC= CCC=CCCCCC)
+OP(=O)([O-]) [O-])
+OC [C@H]3
+O=c1 c(
+COc1cc(/C=C/ C(=O)
+CCCCCC= CCCCCCCCC</w>
+CCCC 1</w>
+CCC( N)=O)
+CCC /C=C/
+CC(=O)N [C@@H](C
+C=C(C) C1
+C1CCC2(C)C1 C(O)CC1C3(C)CC
+C(=O) OC(
+C /C=C(\C)
+( c1ccccc1)
+n4 cnc5
+c3cc( OC)
+c2n cc
+[C@]1 (C)
+[C@H]( NC(=O)
+CCCCCCCC CC(=O)
+CC/C=C\ C/C=C\C/C=C\
+CC(OC6 OC(CO)C(OC7
+CC [C@H](C)
+C1 (C)C</w>
+C(OC3 OC(CO)C(O)C(O)C3O)
+C(=O)OC[C@H](C O)
+=C /
+cc c2
+c2cc( OC)
+[o+] c2-
+P(=O)(O) O)
+OC(=O)CCCCCCCC= CCC=CCCCCC</w>
+C[C@]12CC[C@H]3 [C@@H](
+C[C@@H]1 O[C@@H](
+CO P(=O)([O-])
+C(O) C3O)
+C( CC)
+cn c4
+c5 c(
+c1c(O)cc(O) c2c1
+c( CCC(=O)O)
+O=C( OC1
+C(C) C1CCC2C3
+C 3</w>
+c6 cc
+c2ccc( F)cc
+c(O) n
+[nH] 2)
+Cc1 cn
+CCCCC/C=C\ C/C=C\C/C=C\
+C(O) C2O)C(O)C(O)C1O</w>
+C(=O)O[C@H](COC(=O)CCCCCCCC CC=
+A l
+(C(=O)O) CCC3(C)C(=CCC4C5(C)CC
+c3cc(O)cc(O) c3c2=O)
+c2ccccc2 )cc1</w>
+c1 OC)
+OC(=O)CCCC=CCC=CCC= CCCCCCCCC</w>
+N= C1
+CC(O) =N
+C1= C(C)
+C(=O)O[C@@H](CO)COC(=O) CCCCCCCC
+C [C@@H](C)
+C /C=C(/C)
+4 C)
+n c(N
+c2cc(O) c(O)c(O)
+[C@@]2 1C</w>
+Oc2cc(O) c3c(=O)
+OCC(O)C(O) C3O)
+O c3cc(O)
+COc1cc(- c2[o+]
+CN 2
+= C(C)
+c(O)c(OC) c1</w>
+[C@@H](O)[C@H](O) [C@H](O)
+[C@@H](CO) O[C@@H](
+[C@@H] 5
+C[C@H]3 O</w>
+C[C@H]( CCC(=O)O)
+CC[C@@] 43C)[C@@H]1
+CC3 5
+[C@@]1 (C)
+OC(CO)C(O) C2O)C(O)C(O)C1O</w>
+CCCCCCCCCCCCCCCC CCCCCC(=O)
+CCCCCC=CCC=CCCCCCCC CC
+CC1(C) C</w>
+= C1
+2 C)
+1) N
+/ N=C(
+n2 cc
+c3cc(O)c(O)c(O) c3-
+c(C) n
+c( F)cc
+[P@@ ](=O)(O)
+[C l
+OC(C OC2
+N=C(O) [C@H](
+COc1cc c(C2
+CCCC C[C@H](O)
+CCCC C(=O)O</w>
+CC [C@H](O)
+CC /C=C(/C)
+C(OC6OC(C(=O)O) C(O)

data/info/codes_drug_chembl_1500.txt

@@ -0,0 +1,2657 @@
+#version: 0.2
+c c
+C C
+O )
+( =
+(= O)
+cc c
+( C
+C (=O)
+[ C
+[C @
+H ]
+c 1
+) c
+(C )
+c 2
+cc ccc
+[C@ @
+[C@ H]
+c 3
+[C@@ H]
+ccc (
+( CC
+N C(=O)
+cc (
+C(=O) N
+c (
+= C
+) C
+CC CC
+) cc
+O C
+c 4
+C N
+C O
+F )
+CC N
+c1 ccc(
+( O)
+( F)
+)c 3
+2 )
+(=O) N
+c n
+)c 2
+CC C
+(C l
+\ C
+1 )
+(C) C
+S (=O)
+3 )
+N )
+)c 4
+[ n
+c1 cc
+c3 ccccc
+O C(=O)
+n c(
+N C
+[n H]
+O CC
+c 5
+S(=O) (=O)
+2 C
+cc 1
+= O)
+ccc( cc
+c2 ccccc
+c1 ccc
++ ]
+)c (
+CCN (CC
+n n
+[C@H] (
+[C@H] (C
+(F) (F)
+1 C
+2 )c3
+ccccc 4
+) C(=O)N
+[C@@H] (
+C l
+cc cc
+\C =C
+c1 ccccc
+[C@@H] (C
+NC(=O) C
+CC (C)
+[C@ ]
+[ N
+) C(=O)
+(= C
+(Cl )cc
+3 C
+[ O
+[O -
+[C@@ ]
+[C@H] (CC
+=C (
+2 CC
+3 )c4
+cc cc(
+F )cc
+c1 cc(
+1 CC
+[C@@H] (CC
+c2 ccc
+[N +]
+CCCC C
+n 1
+3 CC
+)c 5
+n 2
+C(=O) C
+c1ccc( cc1
+c (C
+c4 ccccc4
+B r
+)cc 1</w>
+c2 ccc(
+[C@H] (O)
+= O</w>
+c3 ccc
+OC(=O) C
+) N
+CC (=O)N
+cc 1)
+[C@@H] (O)
+n c2
+\C=C \
+= N
+[O- ]
+n cc
+CC 1
+[N+] (=O)
+c3 ccc(
+S(=O) (=O)N
+CC (=O)
+[C@H] 1
+c3ccccc 3
+N (C
+c1ccc( cc1)
+c1ccccc 1
+[C@@H] 1
+c1cc cc(
+)C (F)(F)
+c1ccc 2
+NC(=O) [C@H](CC
+N 2
+)c 1</w>
+4 )
+n cn
+4 CC
+n c3
+c (C)
+c 6
+C(=O)N C
+(C) CC
+ccccc 5
+C c1
+)C 2
+1 )c2
+N =C
+S C
+CN 1
+c2ccccc 2
+O) cc
+ccccc 3
+[C@H] (C)
+c [nH]
+(= N
+CCCC CCCC
+n 3
+4 C
+[C@H] 2
+CN (C
+ccc 1
+(= N)
+(C)C )
+OC )
+c2 ccc(cc
+CC O
+[C@@H] (C)
+NC(=O) [C@H](C
+cc (C
+% 1
+1 =O)
+cc 2
+c1ccc (C
+=C (C
+NC(=O) N
+C(=O) O)
+(Cl )
+ccc 3
+(Cl )c
+Cl .
+c2 cc(
+c 1</w>
+(C) (C)
+\C (=C
+2 )C
+[C@@H] 2
+CCN (C
+N (CC
+n c1
+CN C
+c4 ccc
+ccccc 4</w>
+c2ccccc 2)
+ccc 2
+C(=O) O</w>
+3 )C
+[C@H] 3
+2 =O)
+CO c1ccc(
+N 1
+CCC (CC
+c4 ccc(
+CO C(=O)
+(=O) O)
+CN (CC
+c3 ccc(cc
+P (=O)
+c3ccccc 3)
+cc 3
+= CC
+N 3
+O C</w>
+) CC
+c( O)
+N S(=O)(=O)
+CO c1cc(
+n 1</w>
+c5 ccccc5
+CO c1cc
+c1cccc( c1
+N c2
+)c( OC
+5 CC
+4 )c5
+c1ccccc 1)
+c2ccc 3
+1 =O</w>
+c s
+c1ccc(cc1 )c2
+o c(
+(= S
+[C@@H] 3
+C(=O)N [C@@H](CC
+c3 cc(
+n c4
+# N
+c1 n
+[O- ]</w>
+(O) C
+c2 c1
+)cc 1
+N CC
+c3 cc
+NC(=O) [C@@H](
+)C(F)(F) F</w>
+[N+](=O) [O-]
+/ C
+n 4
+[n +]
+CN (C)
+ccccc 2
+(C) (C)C
+[C@] 1
+2) C(=O)N
+CC(C) (C)
+n c
+ccc 4
+O =C(
+2) C(=O)
+c2 cccc(
+OC O
+C c1cc
+(=N) N)
+F )c
+n 2</w>
+5 )
+ccc (Cl)cc
+O [C@@H]
+# N</w>
+N =C(
+4 )C
+c1 nc(
+[N+](=O) [O-]</w>
+C(=O)N [C@@H](C
+c2 n
+)C(=O)N [C@@H](CC
+O [C@H](C
+c( N
+CC (C)C
+o ccc
+3 =O)
+# N)
+2)c3 ccccc
+(C) C</w>
+(C) cc
+\C (=N
+C (F)(F)
+)c 6
+c3ccccc 3</w>
+c2 cccc
+\ N=C
+CN 2
+CC OC(=O)
+c3ccccc 2
+c3 cccc
+c2 cc
+CNC (=N)N)
+O [C@H]
+O =C
+)c (C
+c3 cccc(
+P(=O) (O)
+ccc( F)cc
+( N
+c3 c2
+Br )cc
+c1 cn
+) \
+CO c1ccc(cc1
+O) C
+[C@@] 2
+[C@H]( NC(=O)
+c 7
+5 C
+[C@@H] 1CC
+c3ccc 4
+- ]
+c2 cn
+OC )cc
+2 CCN(CC
+=N \
+1 =C
+nc( N
+F )c(
+ccccc 5</w>
+S(=O)(=O) C
+c3ccc (Cl)cc
+CCCC CC
+(=O)N C
+c4 cc
+F )C
+C n1
+N (C)
+N 4
+3) C(=O)
+[C@@] 3
+ccccc 6
+(CC C
+1) C(=O)
+[C@@] 1
+[C@] 2
+[C@] 3
+c2 c(
+\N=C \
+C(=O)N (C
+(=S )N
+CCN 1
+c4 ccccc4</w>
+c3 n
+CO c1ccc2
+= CC(=O)
+c3 c(
+N2 CCN(CC
+( O
+C c1ccc(
+c2ccc (Cl)cc
+)C(=O) O</w>
+3)c4 ccccc4
+c 2</w>
+OC )c(OC
+NC(=O) CC
+OC 1
+c2ccc(cc 2)
+# C
+3CC OCC
+OC) c1
+[C@H] 4
+CO c1ccc(cc1)
+c4 ccc(cc
+n c(C
+[O-] [N+](=O)
+\C(=C \
+)cc 2
+1 )C
+[C@@H] 4
+C(=O) O
+c4 ccccc3
+c1 c(
+OC(=O)C (F)(F)
+ccccc 1
+) NC(=O)
+N )C
+3 CCCCC
+N 2C
+OC (C
+c1 C
+(=O) C
+c4 cc(
+S CC
+3) C(=O)N
+F C(F)(F)
+c3 cn
+2 CCC
+\C =N\
+c2ccccc 1
+CO c1ccccc1
+2 =O</w>
+C c1cc(
+c3ccc( F)cc
+[C@@H]( O
+\C(=C /
+)C(F)(F) F)
+[C@@H] 1C
+2 =C
+F )c3
+CC CN
+-] .
+n 3</w>
+CO c1ccc(C
+c2 c1</w>
+c3ccccc 3C
+c1 2</w>
+5 )C
+(C)(C) C</w>
+c2ccccc 2</w>
+c2cccc( c2
+Br )
+(C)C )C(=O)N
+OC(=O)C )
+(C (=O)N
+n (C
+c (CC
+4CC OCC
+=C( N)
+\C=C /
+c4 cccc
+[C@H] 1C
+)C(=O) C
+CC (
+3 CCC
+OCC O
+c 3</w>
+1) C(=O)N
+3)c4 ccccc4</w>
++] .
+S CC(=O)N
+3 CCN(CC
+c1 )
+)cc 2</w>
+cc (Cl)
+n 2)
+C(=O)N 1
+[C@@H] 2C
+[C@H](O) C
+N 2CC
+3 CCCC
+OCC (=O)N
+c1cc 2
+%1 0
+c2ccccc 2C
+CCN CC
+n 2)c3
+O) [C@@H](O)
+. OC(=O)C(F)(F)
+O=C( N
+CO C(=O)C
+CC OC(=O)C
+\C=C (
+CCN(CC 1)c2
+)C(=O)N C
+O=C 1
+2)c3ccccc 3</w>
+COc1cc 2
+NC 1
+[C@H] 1CC
+2 CCCC
+[C@] 4
+n1 )c2
+ccc 5
+c4ccccc4 )
+[C@H] 2C
+(Cl )c3
+[C@@H] 2CC
+[C@@] 4
+% 2
+o nc(
+cc (C)
+n [nH]
+c3ccc(cc 3)
+CN 1C
+NC(=O) OC
+c2ccc( F)cc
+c4 cccc(
+NC(=O) c2
+)c 2</w>
+)c3 ccccc
+(CC (=O)N
+3 )cc1</w>
+F )c2
+c6 ccccc6
+\C(=N /
+n 5
+[C@@H] 3CC
+cc ncc
+[N a
+2 CCCCC
+(Cl )c(
+3 =C
+2 )c4
+cc 4
+[Na +].
+c( N)
+C(=O) OC
+NC(=O)[C@H](CC (C)C)
+c4 c3
+c2 C
+O) c(
+N (C)C
+NC (=N)
+(=S )
+c4ccc (Cl)cc
+n c5
+2 (CC
+ccc (C
+[C@@H](C O)
+n (
+cc( OC)c1
+4 CCCCC
+O P(=O)(O)
+c1cccc(c1 )c2
+CCN C
+O =C(C
+n c(C)
+[ S
+N 1C
+)c 3</w>
+CC1 (C)
+c1 ncn
+2 )cc1</w>
+ccc( O)cc
+)c (O)
+C(=O)N CC
+[C@@H](O) C
+C c1ccc(cc1)
+) S(=O)(=O)N
+c4ccc( F)cc
+[C@@H] 3C
+cc( c1
+c2 c[nH]
+6 CC
+(C)C )C
+=C(N) N)
+n 1)
+O [C@H](
+c3cccc( c3
+N (
+( [O-]
+CC [C@H](C)
+CCC (C
+c (Cl)cc
+3 (CC
+.OC(=O)C(F)(F) F</w>
+c2 nc(
+c1ccccc 1C
+cc( O)
+NC(=O) NC
+c1 nc2
+)c2 c1</w>
+[nH] c(
+(C) (C
+n cc(
+CC (C
+)cc 3
+c2 cc1
+C S
+c1 c[nH]
+) S(=O)(=O)
+4 CCCC
+c1 nn
+[C@@] 5
+O CCN
+CCC 1
+2 =N
+CC(=O)N C
+c1cc cc2
+4 )C(=O)
+n 4</w>
+n 3)
+c4ccc 5
+2) N
+\C(=N \
+)c (C)
+F )c4
+c 8
+6 C
+5 )c6
+CN1 C(=O)
+[C@H] 3CC
+CN =C(N)N)
+4 =O)
+s 1</w>
+CC NC(=O)
+c1ccc (Cl)cc
+2 /
+3 =O</w>
+4 )cc1</w>
+s c(
+ccc s
+\ N=C(
+NC(=O)[C@H](CC CNC(=N)N)
+6 )
+O[C@H](C O)[C@@H](O)
+c2ccc (C
+( OC
+[N+](=O)[O-] )
+NC 1=O)
+NC(=O)[C@H](CC CCN
+4 )N
+= NC
+CC n1
+nc( N)
+cs c(
+[C@H] 3C
+2C l
+[C@H]( N)
+c2cccc 3
+C 1
+CN (C)C
+CN (
+[C@@H](C) O)
+c4ccccc4 C
+n 2C
+n2 cn
+Cl )
+CN (C)CC
+2)c3 ccc(
+2) S(=O)(=O)
+c 4</w>
+OC )c2
+(Cl )c2
+NC(=O)[C@H](C O)
+C NC(=O)
+c5 ccccc4
+o c(C
+c1ccc(cc1 )C
+C(=O) N</w>
+O C(=O)N
+)C(=O) N</w>
+s 2</w>
+CN 3
+c4 cn
+(C) (C)C)
+2)c3 ccccc3
+Cl c1ccc(
+)cc 3</w>
+CCN (C)CC
+c2 3</w>
+c2ccc(cc 2
+4) CC
+)C(=O)N [C@@H](C
+n cccc
+N c1nc(
+3) CC
+[C@H] 5
+c5 ccccc5</w>
+OC )c(
+O CCCC
+)c2 ccccc
+) c1
+O c1ccc(
+CO c1ccc(cc1)c2
+c4 c(
+)C2 =O)
+\C=C( /C
+N3 CCN(CC
+c1ccc(cc1 )C2
+)c3ccccc 3</w>
+(= CC
+)c 7
+c2ccc( O)cc
+(C) C(=O)
+c %1
+3) N
+(F) (
+nn 2
+[C@] (C)
+c2 cc3
+O S(=O)(=O)
+5CC OCC
+[C@@H] 4CC
+C(=O)N )
+NC (=S)N
+c3 c2</w>
+c5 ccc
+(O) (C
+NC(=O)C S
+n nc(
+c3 c[nH]
+4 )C(=O)N
+OC (F)(F)
+c5 ccc(
+F c1ccc(
+(C )c2
+3 =N
+NC(=O) [C@H](C)
+) \C
+(Cl )c4
+c( cn
+C [C@@H]1
+OC [C@H]1
+[C@@H] 5CC
+(= NC
+O) c2
+C(=O)N (CC
+CC(=O) O
+CN 1CC
+s 3</w>
+4 CCC
+S )
+1 )c3
+CCC(CC 1)
+c3ccc( O)cc
+c3ccccc2 3)
+c (Cl)
+O) c(O)
+C c1ccc(C
+[n+] 1
+(=C (C
+)c5 ccccc5</w>
+)c4 ccccc4</w>
+)cc1 OC</w>
+( N)
+\C=C\ C(=O)
+ccccc 7
+c3cccc 4
+OCC OCC
+N1 C(=O)
+\C=C \C
+C c1ccc2
+)c 4</w>
+\C=C\ 2/
+s c3
+c3ccc nc3
+2) C(=O)NC
+[C@] 5
+% 3
+[C@H] 2CC
+c1ccc(cc1) S(=O)(=O)N
+\ N
+c1cc cc(C
+c1 ncc
+C c1ccccc1
+O CCC
+2)c3 ccc(cc
+c1 c2
+C OC
+[C@H]( NC(=O)C
+CC C(=O)N
+(C O
+cc 1</w>
+CO c1cccc(
+OC)c(OC )c(OC
+c1 )c2
+NC(=O)[C@H](CCCCN )
+3 )c1</w>
+N(C) C(=O)
+2CC OCC
+)C #N</w>
+(C )c3
+c2 nn
+CC1 =C
+2) C(=O)C
+)c4 ccccc4
+CCCCCCCC CCCC
+COc1cc( cc(OC)c1
+n 1C
+1 3</w>
+C S(=O)(=O)
+[C@@H] 5
+N2 C(=O)
+CCN(CC )
+[C@@H]( NC(=O)
+[C@@H]1 O)
+[C@H]( OC(=O)
+NC(=O)[C@H](CC (=O)O)
+(C)C )C(=O)N[C@@H](CC
+[C@]4 (C)
+(CC CC
+(=C )
+s c2
+ccc nc
+[C@@] (C)
+N(C (=O)
+(CC (C
+c2ccc nc2
+oc( nn
+c2ccccc2 )C
+cn cn
+ccccc 6</w>
+c2 c(C
+CN1 CCN(CC
+)c2 cc1
+cc( cn
+(Cl)c (Cl)c
+5 CCCC
+[C@H](O) [C@@H](O)
+)C2 =O</w>
+( NC(=O)
+s c1
+c o
+(C O)
+(F)( F)C
+ncc 3
+1 CCC
+(C (=O)
+c1ccc(cc1) C(=O)N
+NC(=O)[C@H](CC C(=O)O)
+[ Br
+[Br -].
+OCO c5
+c2ccc(cc 2)C
+=C (C)
+[C@H](C O)
+c4 c3</w>
+cc (CC
+c3ccc(cc 3
+cc( OC
+c3 C
+c3 o
+c1ccc 2C
+)C(=O) O)
+[C@H]( NC(=O)[C@H](C
+1 =N
+c1ccc( O)
+=CC =C
+)c5 ccccc5
+[C@@H]( O[C@@H]
+CO c1cccc(c1
+5 CCCCC
+4CCOCC 4</w>
+O 1</w>
+CO CC
+c3ccc(Cl)cc 3
+NS(=O)(=O) C
+S SC
+4 CCN(CC
+NC(=O) [C@@H](C
+COc1cc( ccc1
+2 C(=O)
+C(=O)N[C@@H](CC CNC(=N)N)
+c2ccccc 2)c3
+NC(=O)[C@H](CC (=O)N
+cccc 3
+)c 2)
+[C@H]( O
+N 1CC
+NC(=O) c2cc(
+c2 )
+c3cc 4
+1C l</w>
+c1 c(C)
+N 3C
+C c1cccc(
+3CCOCC 3</w>
+c1ccc2 c(
+C (
+O) \
+c3 occc
+C(=O)C (=C
+[C@@H] (C)CC
+C l</w>
+C [C@]1
+#N )C
+nc( cs
+F) cc(
+3)c4 ccc(
+=C( O
+/C /
+2 CCC(CC
+= C</w>
+1 )C2
+)C(F)(F) F
+NC(=O)[C@@H]( N)C
+CN2 C(=O)
+O[C@H](CO)[C@@H](O) [C@H](O)
+ncn c(N
+1 CCN(CC
+c3ccc(cc 3)C
+N c1n
+c2ccccc1 2)
+CCN 1C
+)c3 ccc(
+(O) CC
+B r</w>
+[C@H] 6
+cccc 2
+c3ccc (C
+cn c(
+N CCCC
+Cl. Cl.
+[S +]
+O)cc 1</w>
+)c2 C
+n o
+. OC(=O)
+C [C@H]1
+c1ccc( NC(=O)
+C (C
+nn (
+c2ccc(cc 2)c3
+cc 5
+c3ccccc2 3</w>
+(=O) O
+Cc1cc (C)
+c2 c(C)
+(CC (=O)O)
+N CCC
+cccc (C
+4 =C
+ccc (C)cc
+ccccc1 4</w>
+CCCCCCCC CCCCCCCC
+c3ccc (C)cc
+c3ccccc 3)c4
+= CC(=O)N
+[C@H] 7
+[C@H] 4C
+c4cccc( c4
+c5 ccc(cc
+c1cc( ccc1
+nc( NC
+)cc 2)
+2 CCN(C
+=C 1
+6 )C
+C(=O)N[C@@H](CC CCN
+[C@H]( OC(=O)C)
+c1ccccc1 )c2
+)C(=O) OC
+c1 C</w>
+ncc 2
+1) S(=O)(=O)
+4 )c3
+(Cl )c1</w>
+s 2)
+c3 ncc
+c1 3</w>
+CC 1</w>
+c2ccc3 ccccc3
+c5ccccc5 )
+c3ccccc3 )C
+c2 nc3
+3 )c(
+[C@@]2 (C)
+#N )c(
+n 5</w>
+3CCCCC 3</w>
+ccc 3C
+n 3)c4
+\C=C\ C(=O)N
+CCC (C)
+1 CCCCC
+Cc1 c(
+c3ccc( Br)cc
+2 C</w>
+CN(C) C(=O)
+[C@@H] 4C
+3) N4
+[C@@H](O) [C@H](O)
+\C=C /C
+c1ccc(O) cc1)
+c4cc 5
+n cc1
+cc( NC(=O)
+c1 c(C
+3) S(=O)(=O)
+=C 3
+cccc( c3
+)cc 4
+OC(F)(F) F)cc
+4C )
+n ccc(
+c1n nc(
+OC (
+5 CCC
+C OC1
+c1ccc( O
+C [C@H](
+N2 CCC(CC
+c1cc (C
+nn 3
+[C@@H] (C)C
+n2 )C
+2) N3
+c2ccc( Br)cc
+[C@]3 (C)
+c2 o
+ccc 2C
+c3c[nH] c4ccccc3
+OC(=O) CC
+cc 2C
+[C@]2 (C)
+c5 cc(
+C S(=O)(=O)N
+=C )
+c2n nc(
+4)c5 ccccc5
+c4ccc( O)cc
+N=C 1
+cc( ccc2
+2 )c1</w>
+(C)C )N
+O [C@@H](
+[Na+]. [Na+].
+CN1 CCN(CC1)c2
+NC(=O)[C@@H]( N)
+[C@H] (C)C
+(F)(F) F</w>
+N2 CCCC
+2)c3 cccc
+c2ccc (C)cc
+O c3ccc(
+c1ccccc 1</w>
+\N=C( /
+c1ccc( OC
+1)c2 ccc(
+N c1ncn
+NC(=O)[C@H](CC C(=O)N)
+OC )C
+cc(C (=O)N
+[C l
+C(=O) OCC
+(=O) =O)
+[Cl -].
+n (CC
+c 9
+O 2</w>
+n ccc
+N 3CC
+NC(=O)[C@H](CC(=O)N )
+2 =C(C
+s 4</w>
+ccccc2 4</w>
+N )c2
+ncn c3
+C(=O) CC
+COc1cc (C
+oc( cc
+n2 c(
+4 )cc
+4 (CC
+2 )c(
+c1ccc nc1
+(F)(F) F)
+nc 3</w>
+ccc(cc 2
+(=C )C
+(Cl )C
+N2 CCC
+P(=O) (
+C [C@@H](
+=CC(=O) C
+s 3)
+cc 6
+c2 occc
+)C(F)(F) F)cc
+CCC NC(=O)
+4)c5 ccccc5</w>
+[n+] 2
+c3 c(C)
+1) C(=O)C
+nc2 c1
+)CC 2</w>
+CCO c1ccc(
+c (Cl)c
+\C=C(/C )\
+1=C (C)
+4 )c1</w>
+c3cc ncc
+CC 2</w>
+O[C@H]( [C@H](O)
+(O) (
+COc1cc cc(C
+4CC 4</w>
+= [N+]
+c( F)cc
+[C@@H] 6
+)c2ccccc 2</w>
+CC(C)C [C@H](
+CC(C)(C) O
+c3cccc (Cl)c3
+(C)(C)C )C
+nn 1
+=C 2
+C(=O)N CC(=O)N
+C [C@@H]1CC
+CN 4
+C c1ccc(cc1
+c3 nc(
+2) S(=O)(=O)N
+c3ccc(F)cc 3
+ccc 1C
+[C@@H]1 O</w>
+)cc 4</w>
+CC(C) O
+OC(=O) C</w>
+c2ccc3 OCO
+3)c4 ccc(cc
+c2n c3ccccc3
+c5 cccc
+O) [C@H](O)
+CC(C) (C)C
+C(=O)N [C@@H](C)
+OC )c3
+=CC(=O) O
+[C@@]4 (C)
+O=C (CC
+C )
+CN CC
+)CC 1</w>
+n 3C
+CC CN(CC
+cc cc1
+NC(=O) \C=C\
+O) c3
+nn 2</w>
+O [C@@H]1
+[C@@H] 7
+5 =O)
+c2ccc( O
+N(C (=O)C
+NC(=O) CO
+c1 o
+[C@]1 2C
+[C@]1 (C)
+c3ccc4 OCO
+4 =O</w>
+N=C 2
+c1 )C(=O)N
+4CCCCC 4</w>
+([O-] )
+c2ccc(O)cc 2)
+[nH] cn
+c3ccc( OC)cc
+CN1 C(=O)C
+NC(=O) CN
+c3ccc4 ccccc4
+Cc1cc (C
+c2ccc(cc2) S(=O)(=O)N
+O [C@H]1
+%1 1
+c3ccc(Cl)cc 3</w>
+c2 s
+N (C)C)
+CC(=O) O)
+N=C( N)
+) [N+](=O)[O-]
+2)c3 ccc4
+c7 ccccc7
+[ I
+c3 c(O)
+[C@@H](O) CC
+3 CCN(C
+c2c[nH] c3ccccc23)
+c3ccccc 3)c4ccccc4
+[I -].
+= CC(=O)NC
+3) C(=O)C
+[O-] )
+NC(=O)C 1
+c4ccc (C)cc
+(C 2)
+c4ccc(cc 4
+COc1ccc(cc1 )C2
+C(F)(F) F</w>
+\C(=C (
+1) N
+N(CC (=O)N
+3 )c5
+1)c2 ccccc
+c4ccccc3 4</w>
+c3ccccc 13</w>
+cc nc3
+CCCC 1
+3)c4 cccc
+Cc1 cn
+C SCC
+c5 cccc(
+(=N) N
+n 4)
+[C@H] 4CC
+2=O) cc1</w>
+c4cc ncc
+nc 2</w>
+)c3 ccc(cc
+c4 c[nH]
+n 6
+Cl c1ccc(C
+)c(OC )c1</w>
+)c3 ccccc3
+[ H]
+)c (Cl)c1</w>
+s c4
+N [C@@H](C
+CCN(CC )CC
+NC(=O) [C@@H](CC
+NC(=O)C )
+O c1ccc2
+[C@] 6
+c2cc (C)
+(CC (=O)
+N3 CCCC
+3) C(=O)NC
+F c1ccccc1
+[C@@H]4 [C@@]5
+nc1 2</w>
+Cc1 nc(
+CC [C@H]1
+2 =
+O =
+F)c 3</w>
+N2 C(=O)C
+F c1ccc(C
+c1ccc(Cl)cc 1
+2CC CN(C
+O [C@@H]2
+NC(=O)[C@H](C c1ccccc1)
+CC 1CC
+c3cc (C)
+) [N+](=O)[O-]</w>
+c1 O</w>
+c2ccc( OC
+CCCC (=O)N
+occc 4</w>
+c2ccc( N
+COc1cc cc2
+c5 ccc(F)cc
+OCC 1
+O [C@@H](C
+=C (C)C
+cc( nn
+=C( N
+c( NC
+c2 c(O)
+[C@H] 8
+3C l</w>
+2)c3 ccc(Cl)cc
+N2CCN(CC 2)C(=O)
+c2cc ncc
+)C 3
+# CC
+) n2
+4 )c(
+F .
+c4ccc nc4
+Cl c1ccccc1
+OCC (=O)
+nc2 C
+CC(=O) O</w>
+[C@@H]( N)
+ccc1 2</w>
+c1ccc (C)
+co cc
+c2ccc( OC)cc
+[C@@H]( [C@@H](C)O)
+n c5ccccc5
+CC1 =N
+3CC 4CC
+c2cc( ccc2
+)c4 ccc(
+OCC CN
+(=O)O) C(=O)
+=C(C) C(=O)NC
+n c3ccccc3
+Cc1 o
+cc(OC)c1 OC</w>
+S(=O)(=O) C</w>
+n c6
+CCOC(=O)C 1
+F) c1
+c2ccc( NC(=O)
+CN3 C(=O)
+[C@H](C) O
+Br .
+C \C(=N/
+N2CC OCC
+N(CC C
+c2cc (Cl)
+OC(=O)C )C
+C c1ccc(cc1)c2
+[C@@]2 (CC
+3)c4 ccc(F)cc
+Cl c1ccc2
+#N )c2
+[C@@H]( OC(=O)C)
+c3 nn
+(C)C )C(=O)
+\N=C /
+5 )N
+c(N) ncn
+)C(=O)N[C@@H](CC CCN
+c3 c(C
+c1c[nH] c2ccccc12)
+NC(=O)C 2
+3) S(=O)(=O)N
+[C@H]( N)C
+c1 oc(
+c5 ccc(Cl)cc
+CCCC O
+ccccc 8
+1=O) C
+2) n3
+c4cccc 5
+c1cc cc
+NC(=O) CN2
+c %2
+) C</w>
+F c1ccc(cc1)
+2CCN(CC 2)c3
+F C
+)c 8
+c1cccc(c1 )N
+S 1
+)cc 1Cl</w>
+% 4
+5CCOCC 5</w>
+CC(=O)N 1
+n2 cc
+1 /
+c2 ncc
+ccc nc3
+O .
+Cc1cc 2
+[C@@]3 (C)
+COc1ccc2 c(
+c3n c4ccccc4
+CC (N
+c1ccc( Nc2
+nc 4</w>
+nc( O)
+7 )
+)cc 1)
+n c1</w>
+\ C(=O)N
+C [C@@H](O)
+Br )c(
+[N -]
+F )c5
+CN 2C
+ccccc3 4</w>
+CCC (
+CC1 =O)
+(CC )
+c4 C
+[C@@] (C)(C
+Cc1 nn
+c4ccccc4 )CC
+CN1 C(=O)N(C
+COc1ccc(cc1 OC
+2)C 3
+(C) cc3
+n1 )C
+C(=O)O) C
+c1 )C
+N2 CCN(C
+c1 c(O)
+cc( N
+c4ccccc4 )C
+NC (=S)
+Cc1ccc(cc1) S(=O)(=O)N
+2CCN(CC 2)C(=O)
+COc1ccc(cc1 )C
+n2 )cc1</w>
+cc( cc1
+ccc 6
+[nH] 2</w>
+nc2 c1</w>
+3)c4 cccc(
+c2ccc(Cl)cc 2)
+c3ccccc 3)c4ccccc4</w>
+O=C 1C
+OC (C)(C)C
+CCN(CC 1)C(=O)
+[C@@H]( OC(=O)
+c2ccc(cc 2)C(=O)N
+)c(C )c1</w>
+c2ccccc 2)c3ccccc3</w>
+C(=O)N[C@@H](CC C(=O)O)
+Cc1 onc(
+c4ccc(cc 4)C
+N 3CCOCC
+[C@@H] 5C
+( nn
+O=C( NC
+(=C (
+cc(C) c1
+CN(C (=O)
+[C@H](C c1ccccc1)
+c3cc (Cl)
+)c n1</w>
+CO P(=O)(O)
+C [N+]
+CCCC CCC
+c1 s
+c6 ccccc5
+(C) (C)CC
+nn c1
+cc( F)
+4 )C2
+#N )c3
+NC(=O)[C@H](C c2ccccc2)
+c %10
+3 )c2
+c5ccc 6
+[S i
+F )c1</w>
+CC(=O) C
+(C)C)C(=O)N [C@@H](C
+[C@]1 2C</w>
+[C@@H]( N)C
+CO C(=O)N
+cccc( c2
+.OC(=O) C(=O)O</w>
+c 5</w>
+n oc(
+c3ccc(Cl)cc 3)
+CC1 =C(C
+n3 )C
+CN1 CCC
+[C@H]3 O)
+c2ccccc2C l
+c1n c2ccccc2
+(Cl)c 3</w>
+ccc1 O</w>
+OC (C)(C)
+3)c4 ccc(Cl)cc
+c3 s
+[Si ]
+1)c2 ccc(cc
+c1cn c(
+NC(=O)[C@@H]( NC(=O)
+2)c3ccccc 3)
+C[C@]1 2CC
+3CCCCC 3)
+c3 cc2
+c4 o
+NC 2
+n2cn c3c(
+[C@H]1 O</w>
+c1 2)
+F)c 2</w>
+s 1)
+[C@H]( OC
+c3ccc(F)cc 3</w>
+[C@H]1CC [C@H]2
+3 CCC(CC
+CCO c1ccccc1
+CC1 (C)CC
+NC (=N
+CCN (
+(=C 1C
+c1 [nH]
+4 =N
+cc( c2
+3CCCC 3</w>
+O c1cc(
+n2 nc(
+CN(CC (=O)N
+c1cccc(c1 )C(=O)N
+7 C
+(=C 1
+OC 2
+=[N+] =
+NCC CN
+4 )c2
+C(=O)C (=
+NC(=O) N(C
+2C 1=O)
+CC[C@H](C) [C@H](
+c( OC
+cccc 4
+c3ccccc3C 2=O)
+NC(=N) N
+CC (=
+NC 2=O)
+O P(=O)
+N=C (C
+C(=O)N 2
+5 )cc1</w>
+CC S
+c2cccc3 ccccc2
+c3ccc (Cl)c
+c2ccc3OCO c3c2
+N3 CCCCC
+CCN1 C(=O)
+NC(=O)[C@H](CC CN=C(N)N)
+5 CCN(CC
+(C 1)
+=CC (=NC
+5 )C(=O)N
+OC C</w>
+)C 1
+CC(C)C [C@H](NC(=O)
+CC 2
+n3 cn
+\C=N\ NC(=O)
+(=N) N</w>
+c3 4</w>
+c1ccccc1 )C
+(C)(C) [C@@H]5CC
+[C@H] 5C
+[C@H]( O[C@@H]
+(C) cc2
+)c2 ccc(
+C(=O)C =C
+CCCC (=O)
+O=C( N1
+)c4 ccc(cc
+n1 c(
+4CC 4)
+[C@H]2 O)
+COc1cc(cc(OC)c1 OC
+C(=O)NC (=N
+c2ccc(Cl)cc 2</w>
+[C@@] 6
+c4ccc(Cl)cc 4</w>
+P(=O)(O) O)
+O= S(=O)
+c3ccc(cc 2
+C(=O)N 2C
+c2ccc(F)cc 2)
+NC (C
+(C) O
+4CCCC 4</w>
+c1C l</w>
+c3ccc(O)cc 3)
+c5ccccc5 C
+)C(=O)N[C@@H](CC CNC(=N)N)
+C [C@@]1
+OC 3
+(Cl)c 2</w>
+nc2 3</w>
+2CCCCC 2)
+O c3cc(
+3)c4 ccc
+2)c3 cc(
+CN1 C(=O)N
+Nc1ncn c2c1
+Br )c
+COc1ccc( OC)c(
+[C@H]( N
+4 )C(F)(F)F</w>
+[C@@]3 4C)
+c4ccc(cc 4)
+O c4ccccc4
+c3ccc s
+COc1ccc(cc1) S(=O)(=O)N
+nn [nH]
+c1n c(C
+c2ccc3 c(
+=C(C (=O)N
+3C 1=O</w>
+c5ccccc4 5</w>
+c3 ncn
+=C(C (=O)O)C(=O)
+cn 3
+N3 CCC(CC
+CO c1ccccc1C
+cc(Cl) ccc3
+%1 2
+5 )C(=O)
+[C@]3 (C)C
+c2cccc (C
+O c2ccc(
+NC(=O)C (
+O [C@@H](O
+Cc1 oc(
+)c2cc1 OC</w>
+[n+] ([O-]
+\ S
+O O
+c4ccc(F)cc 4
+c3ccc4OCO c4c3
+c3ccc(cc 3)c4ccccc4
+c6 ccccc6</w>
+c1ccc( F)cc
+CCCCC 1
+c3 nc4
+F)c 4</w>
+4CC 5CC
+6CC OCC
+S )N
+c4ccc (C
+O) c(C
+7 CC
+c3 )
+[n+] (C
+3) n4
+C(=O)N[C@@H](CC CN=C(N)N)
+NC(=O)[C@@H]( NC(=O)[C@H](C
+CC(C) n1
+COc1cc( OC)
+Cc1 nc2
+[C@@H]4[C@@]5 (C)CC
+CC(=O)N [C@@H](C
+(CC 1
+CCCC N
+5CC 5</w>
+[n+] 3
+CC 1C
+)C 1=O</w>
+)C(F)(F) F)C
+c2ccccc2) C(=O)N
+CC (O)
+[nH] 3</w>
+c1 )c3
+SC )
+c5 c4
+Nc2 ncn
+NC(=O)C NC(=O)
+c1) S(=O)(=O)N
+)C(F)(F) F)c3
+O c1ccccc1
+c3ccccc 1
+CCO C(=O)N1
+OCC CO
+N(C) C(=O)N
+CC C(=O)
+1)c2 ccc3
+[C@]4(C) [C@H]3CC
+O NC(=O)
+\C(=C /C
+c3ccc(F)cc 3)
+CO c1cccc(c1)c2
+Cn1 c(
+OC 3=O)
+O)cc 2
+3C 2=O)
+)c3 )
+cn n(C
+c2c1 )c3
+[C@@H]1CC CN1C(=O)
+)cc2 )cc1</w>
+3 /
+n s
+CCN (C)C
+6 )c7
+n 2CC
+CCN 1CC
+5 )c4
+S CC(=O)
+C(=O)N[C@@H](C O)
+c4cccc (Cl)c4
+n 1CC
+c4 ncc
+N3 CCC
+2C l</w>
+[C@@H]( O[C@H]
+2)c3 ccc(F)cc
+n c4ccccc4
+O [C@H]2
+c1ccccc1) C(=O)N
+)C2 =N
+2 =C(
+n2 cc(C
+2) C(=O)O</w>
+c3occc 3</w>
+(Cl)c 4</w>
+)c4 cccc(
+(O)C (O)C
+c4ccc(F)cc 4</w>
+cn 2
+n2 nn
+c2 cc(C
+\N =N\
+O[C@H] (C)C
+O) C(=O)
+Cl c1ccc(cc1)
+c2ccc s
+(=O) =O</w>
+=C(C (=O)
+)cc 3)
+CCCC N1
+c3ccc( OC
+c2ccc(Cl)cc 2
+CC (CC
+CC1 (C)C
+c1 C(=O)N
+[C@H](C (=O)N
+OC(=O) [C@H](C)
+[C@@H]( [C@@H](C)CC
+NC 3=O)
+O[C@H] 1C
+C(=O)N[C@@H](CC C(=O)N
+O [C@@H]3
+CN4 C(=O)
+3 )C(F)(F)F</w>
+NC 1=O</w>
+CC(=O)N [C@@H](CC
+n c3ccccc2
+\ C</w>
+ncn 2
+)c (CC
+2CC 3CC
+[C@]5 (C)
+c4ccc( Br)cc
+(=C (C)
+ccccc1 5</w>
+CO c1c(
+c3ccccc3 Cl
+F c1cc(
+\C(=C \C
+(F)(F) F
+CCCCCCCC CC
+n 4)c5
+O) CC
+(CC )C
+c4ccc( OC)cc
+(Cl )c5
+[C@H](O) CC
+N c2cc(
+Cl c1cc
+S 2
+OC )N
+O[C@@H] 1C
+c4ccccc3 4)
+)C(=O) O
+C(=O)O) C(=O)O</w>
+n1 )c3
+N4 CCCC
+cc nc1
+SC (=S)N
+)c 5</w>
+cc1 C
+NC1 =N
+) O
+OCC (O)
+N2 CCCCC
+Br )c2
+cc( O
+CN2 CCN(CC
+=[N+]= [N-]
+N [C@@H](CC
+c2cccc (Cl)c2
+[S+] ([O-]
+C(=O)N[C@@H](CC (=O)O)
+cc( c3
+c5 ccc(O)cc
+3CC CO
+2)c3 cn
+)c6 ccccc6</w>
+(= CC(=O)
+c5 cn
+Nc2 nc(
+[nH] c2
+6 =O)
+=C 1</w>
+\ C(=O)
+cn 1)
+CO [C@H]1
+N (C)CC
+cc( ccc3
+c1 sc(
+2)c3 cccc(
+\C )
+( [H]
+[O-][N+](=O) c1ccc(
+N3 C(=O)
+c4ccc5 ccccc5
+COC(=O)C 1
+ncc (C
+OP(=O)(O) O)
+N CCN
+ncn c23</w>
+[ P
+c2cc1 OC</w>
+O) c4
+NC(=O) c2ccccc2
+6 CCCC
+c1 )N
+CC(=O) OC
+nc3 c2
+[C@H](O) [C@H](O)
+c4ccc5 OCOc5
+3CC4CC (CC(C
+( c4ccccc4
+[C@]2 3
+cc( Br)
+CCC 2
+c6 ccc(
+[C@H](C c2ccccc2)
+c3ccccc3) CC
+n (C)
+[nH] c3
+c1cc (C)
+c3cccc( F)c3
+CCC n1
+.OC(=O)C(F)(F) F
+c3ccc(C)cc 3</w>
+c1ccc2 ccccc2
+S \C(=C/
+CN1C(=O)N(C )c2
+C(=O) \C=C\
+c2 3)
+OCO c6
+3 )cc1
+(C)C)N (C)C(=O)
+NC(=O) \C(=C\
+c4 ccccc2
+CN 2CC
+NC(=O) COC(=O)
+nn c2
+cccnc 4</w>
+c4ccc(Cl)cc 4
+c3ccc s3</w>
+CN S(=O)(=O)
+)C (C)C</w>
+1 CCCC
+OC 1=O</w>
+c4 [nH]
+C [C@H](CO)
+c2 [nH]
+c2ccc( cc1
+(CC CCC
+c oc(
+)c( N
+P(=O)(O) O</w>
+(C )c4
+cn c2
+c2c[nH] cn
+4)C2 )C
+F)c( F)c(
+3 )cc2</w>
+OP(=O)(O) OC
+C [C@H](CC
+OC(=O) \C=C\
+c2c1 )C
+O[C@H](C)C [C@@H](
+OC(=O)C(F)(F) F.
+S S
+Br )cc1
+=C 4
+3)C 4
+(N )C
+c(C (=O)N
+N(CC CC
+\C=C/ 2
+1 =CC
+3CC 3</w>
+n 1)C(=O)N
+cc1 2</w>
+2) NC(=O)
+)c3 c2</w>
+n2cc nc2
+c1ccc2 nc(
+c3cc( ccc3
+2) O
+c1ccc (Cl)c(
+c3 [nH]
+c2ccccc2 )cc1</w>
+c(C) cc
+N 4CCOCC
+CO [C@@H]1
+[C@@H] 8
+F)cc 1
+N1 C(=O)C
+[C@] (O)(C
+CCN 3
+CCO c1cc(
+ccc1 3</w>
+NC(=O)C (C
+CO c1ccc2C
+CCO c1ccc(cc1)
+Br )c3
+c3 cc(C
+nc1 C
+(=C 2
+CCN 2
+[C@@H]2CC CN2C(=O)
+3 =CC
+SCC(=O)N C
+cc(c1 )c2
+[C@H] 9
+O c3ccccc3
+N 4C
+COc1ccccc1 N2CCN(CC
+c2ccc3ccccc3 c2
+SSC [C@H](
+NC(=O)[C@H](CCCCN )NC(=O)
+[C@H] (C)CC
+c4c[nH] c5ccccc4
+6 CCC
+CCN(CC )C(=O)
+2CCN(CC 2)S(=O)(=O)
+c3ccc nc3</w>
+nc3 C
+l )
+C [C@@H]1C
+C(=O)N )NC(=O)
+S(=O)(=O) CC
+cc( ccc1
+#N) \
+3)c4 ccc5
+N=C 3
+5 )CC
+1CCCCC 1)
+[C@H](C) [C@@H](O)
+4 )C(=O)C
+nn nn
+cc nc(
+( OC)
+C [n+]1
+/C/ 1=C
+(C)C )C(=O)N</w>
+OC (CC
+c3ccc(cc3) S(=O)(=O)N
+C [C@H](NC(=O)
+c(Cl)cc cc
+c3ccc (C)cc3
+n4 cn
+c2ccc(Cl)cc 2Cl
+5CCCCC 5</w>
+c4 ccccc24</w>
+c2ccccc 2)c3ccccc
+2)c3 cccc(c3
+s 1)c2
+c2 c3
+C(=O)N[C@@H](CC (=O)N
+%1 3
+c2ccc(F)cc 2
+CCC 2(CC
+2CCC [C@H]2
+(=C (N
+P(=O) (OC
+(F) F)
+c1 )C(=O)
+c1 onc(
+\C=C( /
+3)CC 2</w>
+3CC 3)
+3=O) C
+cc s
+NC(=O)C 2CC
+)C(=O)N CC
+n3 ccnc3
+Cc1cc cc2
+1CC CN(C
+onc( n2)c3
+c3cc( OC)c(OC)c(OC
+CCN(CC (=O)N
+CN(C (=O)C
+C(=O)N 1C
+O 1)
+[C@H](C) [C@@H](O
+F c1ccc(cc1)c2
+ccc( N
+ccc2 3</w>
+C(=O)NC (C
+cc (Cl)c
+c8 ccccc8
+cc nc4
+F c1cccc(
+2CCCCC 2</w>
+c3ccc(Cl)c (Cl)c3
+nc( n1)
+3) C(=O)O</w>
+c2cc( ccc1
+P (=S)
+)c3 C
+c2ccccc1 2</w>
+c2ccccc2C 1=O)
+cc1 )c2
+c2cc(Cl) ccc2
+5 )cc
+c%1 1
+O[C@H]([C@H](O) [C@@H]1O)
+CC1 =CC
+ccccc4 5</w>
+C(=O)C =C(O
+[C@@H]2 O)
+CC[C@H]1 OC(=O)[C@H](C)
+nn 3</w>
+[C@]2 3C
+\C =N
+c3o ccc3
+c1 occc
+)C #N)
+(C)C )c2
+cccs 4</w>
+3 =C(C
+4C l</w>
+[C@H]1 O)
+CCN S(=O)(=O)
+c2cccc(c2 )c3
+ccc nc2
+cc(Cl) c1
+CN(C) S(=O)(=O)
+c3cc( ccc2
+c4cc5 OCOc5
+COc1ccc(cc1 OC)c2
+)c (Cl)cc
+(=O) OC
+[C@@H](O) [C@@H](O)
+cc( [nH]
+CCN (C)
+3CC4CC(CC(C 4)C2)C
+nn 1</w>
+S(=O)(=O) N</w>
+OC 2=O)
+NCC (O)
+2) \
+c5 c[nH]
+) n1</w>
+NC(=O) c1cc(
+N4 CCN(CC
+e ]
+OCC (=O)NC
+N1C [C@H](C)
+CCC [C@H]1
+[C@H]3 [C@@H](CC
+CC(C) N1
+CC [C@@]1
+NC(=O) c2cn
+N(C (C
+Cl c1ccc(cc1)c2
+[C@@H]( OC
+3CCC [C@H]3
+NC(=O)[C@H](C c2ccc(O)cc2)
+C(=O)N [C@H](C
+CC(C) [C@H](NC(=O)
+CC(C) (C
+c3c( F)cc
+ncccc 3
+Cc1 n
+N4 CCCCC
+Cc1cc(C )c(
+c5 ccccc3
+4)C #N</w>
+c4ccccc4 )c5
+cn c(N
+c1 OC</w>
+ccncc 4</w>
+NC(=O) c2ccc(
+c2ccc (Cl)c(Cl)c
+\N=C( /C
+c3cc(Cl) ccc3
+5 C(=O)
+N) N
+c2 oc(cc
+O)cc 3
+6 CCCCC
+n 4C
+c4ccc s
+nc (CC
+3CCN(CC 3)C(=O)
+c2ccc (Cl)c
+( NC(=O)C
+n2 C</w>
+SC 1
+CC NC(=O)N
+NC(=O)OC (C)(C)C
+N 4CC
+[C@](C) (O)
+CC (O
+ncccc 4
+cccnc 3</w>
+)c4 )
+NC(=O) C</w>
+8 C
+( S
+1CC OCC
+c(C )c(C
+OC(=O)C 1
+)C(F)(F) F)c4
+CC c1ccc(
+c %3
+4 )C(=O)O</w>
+(=S )NC(=O)
+[C@H]3 O</w>
+NC(=O) c1cn
+CN(CC O
+Cc1cc cc(C)c1
+)c3 c2
+(O) (CC
+[C@] (C)(C
+F)cc 3
+OCC (=O)O)
+c3ccccc3 )c(
+ncc 4
+[C@]12C )
+c2 4</w>
+c3cccc4 ccccc3
+ccc( OC)cc
+O[C@@H] 4
+C [C@H]1C
+O [C@@H](C)
+F c1ccc2
+O=C( NCC
+CN(C) c1ccc(
+CN1 CCN(C
+c3ccc(cc 3)c4
+c2 oc(nn
+\C=C\ 3/
+c2c1 )
+[nH] 4</w>
+NS(=O)(=O) c1ccc(
+)c6 ccccc6
+c1ccc(cc1)C2 =N
+nc( n2)
+(O) C(=O)
+N c1cc(
+CC[C@H](C) [C@@H]1
+( N1
+ccc 7
+C(=O)N[C@@H](C c2ccccc2)
+3CCCCC 3
+c2 ncn
+CC(= CCC
+c1ccc 2CC
+COP(=O)(O) O[C@H]
+c3c( [nH]
+c2 oc(
+[C@H]( OC)
+COc1ccc( CC
+Cc1cc cc(C
+8 )
+# C</w>
+(CC =C
+\N=C\ 2/
+FC (F)(F)C
+Cl c1cccc(
+5CCCC 5</w>
+)c 9
+( NC
+c4 nc5ccccc5
+O c1c(
+)C 1</w>
+[nH] 1</w>
+NC(=O)C SC
+[C@H] 5CC
+C [C@@H](CO)
+1)c2ccccc 2</w>
+c4 )
+)C(F)(F)F )C(F)(F)F</w>
+c4 s
+NC(=O)c2 cc3
+n2 )c1</w>
+cccs 3</w>
+c( nn
+[C@H](CC (=O)N
+[C@@]2 3
+ccc (Cl)c(Cl)c
+Cc1ccc(C )c(
+CCn1 c(
+3CCOCC 3)
+O) C(=O)N
+cc(Cl) ccc2
+NC(=O)C =C
+(CC (=O)NC
+2 )cc1
+ccc 4C
+cc(cn 1)c2
+N2CCN(CC 2)c3
+c1 4</w>
+Cc1o nc(C)
+OC (C)C
+CC(C)C [C@@H]1
+N 1</w>
+c(C )c
+P(=O)( OCC
+C [C@H](C
+(C)(C)[C@@H]5CC [C@@]34C)
+F)c 2)
+(= CC(=O)O
+c1 csc(
+N(C) S(=O)(=O)
+c2cc( O)
+c1ccccc1) C(=O)
+S1 (=O)=O)
+7 )C
+c3cccc n3</w>
+(C) C(=O)N
+C(F)(F) F)
+C (N
+cc(C (=O)
+cc nc(N
+c1ccc(cc1 Cl
+[C@H](C c3ccccc3)
+nc (Cl)
+c2ccc(cc 2)c3ccccc3
+c4 occc4</w>
+[C@H](CC (C)C)
+N [C@H](C
+3 =
+CCC S
+3)C #N</w>
+c(C) c1
+[C@@] 7
+\C(=C/ 1
+\N=C\ 1/
+([H] )
+c3 c4
+=CC =CC
+ccc nc4
+CO CCN1
+nc(C (=O)N
+c1ccc(C) cc1
+[C@@H]3 O[C@H](C
+\C(=N/ O)\
+1) \
+[nH] nc(
+O c5
+F)cc 1</w>
+4 )cc3</w>
+2 3</w>
+c(C )c(
+c4cc( O)
+CC S(=O)(=O)N
+ccccc 7</w>
+\C(=C\ CC
+OC )C(=O)
+)C(=O)N[C@@H](CC (=O)N
+c4 ccccc14</w>
+ccc(F)cc 5</w>
+[C@@H]3CC CN3C(=O)
+c1ncc cc1
+cc( OC)
+( c3ccccc3)c4ccccc4
+c3ccccc3 )c2
+C(=O)N 1CC
+n3 cncn
+c(O) c(
+)C(F)(F) F)c2
+(Cl) ccc1
+c2ccc(F)cc 2</w>
+nc1 3</w>
+2CC CO
+c3ccccc3 C(=O)
+c2ccccc2) C(=O)
+[C@H](CC CCN
+c4 cc3
+)c4 cccc
+)C (C)(C)
+CCCC (C)
+c1ccccc 1CC
+nn n[nH]
+cc1 OC</w>
+cc [nH]
+[C@@]3 4C
+c2ccccc1 2)C(=O)N
+)c4 ccc(Cl)cc
+c3ccccc3) C(=O)
+CCC(CC 1)c2
+5 (CC
+[C@@H]1CC [C@H](CC
+=CC (=
+[C@H]2 [C@@H]3
+[C@@]1 (C)
+COc1ccc( NC(=O)
+c3cc( O)
+c6ccccc6 )
+c2nc( cs
+c2ccc s2)
+S(=O)(=O)N C
+O=C( NC1
+3) [N+](=O)[O-]</w>
+.OC(=O)C(F)(F)F .OC(=O)C(F)(F)F</w>
+CC [C@@H](C)
+c3ccc( N
+CC OCC
+O)[C@H](O) [C@H](O)
+2)c4 ccccc4</w>
+CO CCO
+N =N
+CC 3
+nc( NCC
+NC(=O)[C@@H](N) CC
+5 )c(
+B (O)
+cn cc
+O c1ccc(C
+O 3</w>
+NC(=O)C 2=C
+COc1ccc(cc1) C(=O)N
+c1ccc2c( c1)
+2C (C
+CC(C)(C) OC(=O)N
+\C(=N\ O)\
+O c1ccc(cc1)c2
+nc( NC(=O)
+c2C 1=O)
+F) ccc1
+CCN1 CCN(CC
+4 )C2=O</w>
+CCCC CCCCC
+c2ccc( F)c(
+(C)C )C(=O)O</w>
+3) O
+2)N 3C
+2 =NC
+N(C 1=O)
+)c4 ccc(F)cc
+c3ccccc3 )cc1</w>
+CCCN(CC C
+c2cccc(c2 )S(=O)(=O)N
+ccccc1 3</w>
+n4 )C
+)C(=O) C</w>
+5 CCNCC
+) n2</w>
+c6 ccc(cc
+O [C@H]3
+CN1 CCC(CC1)
+CC(C) [C@H](
+3 CCCCCC
+cc( o
+c3cccc (C
+CCN(C (=O)
+CC1 (CC
+CO c1n
+c3cccc (C)c3
+c2ccc(cc 2C
+CN c1nc(
+)C 1=O)
+(F) F</w>
+n 5)
+N) \
+2)c3ccc(Cl)cc 3</w>
+c1ccc (Cl)c
+[C@@]3 4
+O c2ccccc2
+)cc1 2</w>
+c3ccccc3C l</w>
+cc(Cl) ccc4
+(C)C) C</w>
+NC(=O)[C@H](C c3ccccc3)
+4 )c
+CC(C) (O)
+4CC5CC (CC(C
+c3 cs
+CC(=O) N</w>
+CO c1ccc(Cl)cc1
+1=C N(C
+) ccc1
+nc( [nH]
+1) C(=O)O</w>
+[C@@] (O)(C
+)c( c2
+NC(=O)C )C
+c3ccccc3 c2
+c5 ccncc
+CC1=C N(
+3(CC 2)
+c4cccc( F)c4
+[C@]3 (C)CC
+N1C [C@@H](C)
+O c1ccc(cc1)
+1CCN(CC 1)C(=O)
+n2 3</w>
+ccc(Cl)cc 3</w>
+CO C(=O)N1
+CCCC (C
+c3cccc n3)
+Cn1 cc(
+c5 c4</w>
+[N+](=O)[O-] )cc1</w>
+N=C( S)N
+\C=C \C=C\
+N (C)C</w>
+2)C(=O)NC 1=O</w>
+NC(=O) c3cc(
+[C@@]4 (C)CC
+CC OC
+c1C #N</w>
+CN(CC C
+4CC5CC(CC(C 5)C
+S2 (=O)=O)
+O c2cc(
+1 =
+c1ccccc1 )c2ccccc
+CC( NC(=O)
+[C@@H](O) [C@@H](O[C@@H]
+c2ccc3 OCCO
+(=O)N (C
+ccccc2 3</w>
+C(=O)N CCC
+OCC =C
+)C(=O)N [C@@H](C)
+c(Cl)cc (Cl)cc
+)c2 3</w>
+2 (C
+OS(=O)(=O) O)
+NC(=O)N CC
+C(=O)N 2CC
+c4cc (Cl)
+)C(=O)N [C@@H](CO)
+c1ccc( N
+[C@@]3 (C
+C(=O)N[C@@H](C (C)C)C(=O)N
+4 CCC(CC
+3 CCNCC
+(C c2ccccc2)
+n 2)C(=O)N
+c5ccc(cc 5
+c5cccc( c5
+c3c[nH]c4ccccc3 4)
+OC(=O) [C@H](C
+3 =C(
+C c1cccc(c1
+5 =O</w>
+2) [N+](=O)[O-]</w>
+c1cccc2 ccccc1
+C(=O) OC</w>
+2CC (=N
+c3ccccc3C 2=O</w>
+CC S(=O)(=O)
+O[C@H] 4
+=C 1)
+cc (Cl)cc
+CN 3C
+[C@@H](CC C
+c3ccc s3)
+c2ccc( NC(=O)C
+c3occc 3)
+c2ccc nc2</w>
+c%1 2
+c2ccccc 2)c3ccccc3
+4)CC 2</w>
+cn c3
+)C (C)(C)C</w>
+n c2ccccc1
+)c2C 1=O</w>
+c3c(F)cc cc3
+c4ccc nc4</w>
+nn (C
+Cc1 c(C
+c2ccc (C)cc2
+3CCN(CC 3)c4
+CC (=C)
+c2c(C 1)
+ccc(cc 3
+Cc1ccc(cc1) S(=O)(=O)
+c3ccc4ccccc4 c3
+CCC 4
+CN2 CCC
+1CCC [C@H]1
+cc( OC)c(OC
+CCN(CC )C
+c2ccc s2</w>
+c2ccccc2 )c(
+[C@@H]4CC CN4C(=O)
+[C@@H](C O
+4)CC 1</w>
+cn 1)c2
+c3ccc( O
+)C #N
+OC[C@H]1 O[C@H](
+c4ccccc4 c3
+c1cc( cc(c1
+C(=O)N (C)C
+c1nn (
+=C(C (=O)NC
+O)c( OC
+CCOC(=O)C 1=C(C)
+n1 C</w>
+c3n cc(
+c3ccc(cc 3)C(=O)N
+c1 oc(C
+N )c3
+2) n1</w>
+c( O
+[C@H](CC CNC(=N)N)
+3)c4ccc(Cl)cc 4</w>
+CN(C (=O)O
+CC1 =C(
+c6 ccc(O)cc
+CCO c1ccc(C
+I )
+c3 C(=O)
+c2c1 )N
+nc( nc3
+NC(=O) CCC
+9 C
+NC(=O) O
+CC[C@H](C) [C@H](NC(=O)
+[C@H](NC(=O)[C@H](C c1ccccc1)
+c3ccc( F)c(
+\N=C( \
+3CCC (C
+F) ccc2
+C[C@]12CC [C@H]3[C@@H](CC
+4)c5 cccc
+CCCC N1C(=O)
+CC c1cc(
+)c(C) c1
+c1c[nH] cn1)
+1 CCN(CC1)c2
+cn [nH]
+CC(=O)N 1CC
+n1 )C2
+CC CO
+c1ccc( NC(=O)N
+cc 3C
+nc 5</w>
+c3ccc( NC(=O)
+(C)(C) O
+4 )cc2
+(F)(F)C (F)(F)C
+[C@H]( N(C
+CN =C(
+C (CC
+5 )c1</w>
+c1ccc2 OCO
+[C@H]2 O
+C =
+c2ccc (Cl)c(
+CC1 CCN(CC
+4CCOCC 4)
+n2 cc(
+5 )c3
+2 )c5
+[n+] (CC
+NC(=O) c2ccc3
+CC1(C) CCC
+ccc( Br)cc
+S(=O)(=O) O)
+n2 ccc3
+Cc1cc( ccc1
+N(C) C(=O)C
+CC1 =O</w>
+3 (C
+1) O
+5 CCN(C)CC
+(CC 2=O)
+nc( nc1
+c2c( [nH]
+c1 2)c3
+2 CO
+OC(C O)C
+( OC(=O)
+c4 c(C)
+Br) cc(
+[C@]6 (C)
+Nc2 nc(N
+)C 4
+c3ccc(O)cc 3
+NC1 =
+c2ccc 3C
+(C)C )c3
+ccc 2Cl
+O=C1 N
+3)c4ccc(F)cc 4</w>
+(C)(C) O)
+CC [C@@H]1
+c4 c(O)
+c1 2)C
+C(=O)O .
+[C@H]( O[C@H]
+OCCOCC OCCOCC
+)cc 2C
+c4ccc(O)cc 4)
+ccc(F)cc 3</w>
+4)c5 ccc(cc
+[C@@](C) (O)
+c3ccncc 3</w>
+[C@](C) (O)C
+O=C(C S
+c2cc( OC)c(OC)c(OC
+c4 c5
+o nc2
+3)CC 1</w>
+CCCCCCCC CCCCCC
+( NC(=O)N
+s c2c1</w>
+\C 1=O</w>
+COc1cc(OC) cc(c1
+[ 1
+OC(=O) c1cc(
+)C2=O) cc1</w>
+)C(=O)N[C@@H](CC (C)C)C(=O)N[C@@H](CC
+( N(C
+OC 4
+c4 c(C
+nn c3
+[S e]
+P(=O)( S)
+)cc1 O</w>
+ncn c2
+nn 4
+C(=O)N[C@@H](CCCNC(=N)N) C(=O)N[C@@H](CCCNC(=N)N)
+ccncc 3</w>
+c4ccc(Cl)cc 4)
+[C@H]( NC
+O c1ccc(cc1
+CCN(C 1)c2
+2 C(=O)N
+c1) [N+](=O)[O-]</w>
+c4o ccc4
+N1 CCCC
+OC(=O)C (=C
+c2ccc(C)cc 2</w>
+CC1 CN(CC
+OC (=CC(=O)
+O=C 1CC
+3)C(=O) N</w>
+c2 )C(=O)N
+3)C 2</w>
+\C=C/C \C=C/C
+CC1 )c2
+occc 3</w>
+NC1=O) C
+c3ccc( OC)c(OC
+[C@H]( OC(=O)C
+=C (C)C)
+c4cc (C)
+)C(=O)N[C@@H](CC C(=O)O)
+Cl) CCC
+ccc (Cl)c
+Nc2 nccc(
+(Cl)c 2)
+ccccc 2</w>
+4CC CO
+nc3 c(
+c3cc nc4
+c2c( F)cc
+2CCC (C
+c2 cs
+NC(=O) CCCC
+(O) CO
+%1 4
+CC c1ccccc1
+OC(=O) c1ccccc1
+1=C (O)
+O[C@@H] 5
+nc( nc2
+S(=O)(=O)C )
+N4 CCC
+4CCCCC 4)
+5)C #N</w>
+)N (C
+NC(=O)[C@H](CC C(=O)N)NC(=O)
+[C@]2 (C
+c (Cl)c(
+c4ccc(F)cc 4)
+)N 2C
+C(=O)N CCCC
+NC(=N) NCCC
+2=C 1C
+ccc(Cl)cc 5</w>
+)c(O) c1</w>

data/info/codes_protein.txt

@@ -0,0 +1,3111 @@
+#version: 0.2
+L L
+S S
+A A
+V L
+E E
+A L
+S L
+G L
+T L
+I L
+G G
+E L
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+A RL
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+R M
+E QL
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+FL S
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+LL D
+SL V
+AS G
+GG S
+E NL
+LL Q
+EL S
+PL V
+SS G
+N C
+SL P
+D C
+N H
+E GL
+RL S
+SS V
+E IL
+VV S
+E KK
+EE V
+I A
+NL S
+N W
+Q M
+E AV
+Y C
+Y M
+TV S
+T LL
+SL G
+IL V
+GG G
+SS P
+PL P
+R A
+F W
+VL P
+PP S
+AS V
+AV S
+AG V
+Y W
+D A
+AL R
+GS V
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+E VV
+GL V
+F A
+EE EE
+PV S
+KL V
+GV S
+EE S
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+R C
+QL S
+PS P
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+E GG
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+T EE
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+T AA
+EL V
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+EK V
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+P C
+AV G
+E AG
+VL K
+A KL
+PP G
+A PL
+A RR
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data/info/codes_protein_uniprot.txt

@@ -0,0 +1,10121 @@
+#version: 0.2
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data/info/codes_protein_uniprot_2000.txt

@@ -0,0 +1,4101 @@
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