Datasets:
yzimmermann
/
tokenized-ZINC-1B

Dataset card Data Studio Files Community
1
smiles
stringlengths
8
260
input_ids
sequencelengths
31
204
token_type_ids
sequencelengths
31
204
attention_mask
sequencelengths
31
204
CC(C)c1nnc(s1)NC(=O)c2cnccn2
[ 1, 39, 39, 12, 39, 13, 71, 21, 288, 12, 87, 21, 13, 264, 261, 51, 13, 71, 22, 375, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C1CCC(CC1)NC(=O)CSCC(=O)[O-]
[ 1, 39, 21, 39, 39, 39, 12, 39, 39, 21, 13, 264, 261, 51, 13, 387, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C1CCc2c(c(no2)C(=O)N3CCCC3)C1
[ 1, 39, 21, 287, 22, 71, 12, 71, 12, 320, 22, 13, 39, 261, 51, 13, 50, 23, 39, 39, 39, 39, 23, 13, 39, 21, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C1CCc2c(c(no2)C(=O)N3CCOCC3)C1
[ 1, 39, 21, 287, 22, 71, 12, 71, 12, 320, 22, 13, 39, 261, 51, 13, 50, 23, 302, 23, 13, 39, 21, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cc(cc(c1)F)NS(=O)(=O)c2cnc[nH]2
[ 1, 71, 21, 71, 71, 12, 71, 71, 12, 71, 21, 13, 42, 13, 329, 261, 51, 285, 51, 13, 71, 22, 280, 63, 279, 65, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1ccccc1NS(=O)(=O)c2cnc[nH]2
[ 1, 266, 21, 71, 71, 71, 71, 71, 21, 329, 261, 51, 285, 51, 13, 71, 22, 280, 63, 279, 65, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCN(CC)C(=O)COc1ccc(cc1)OC
[ 1, 273, 12, 39, 39, 13, 39, 261, 51, 13, 299, 21, 71, 71, 71, 12, 71, 71, 21, 13, 265, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@@H](C(=O)NC[C@H]1CCCO1)Oc2ccccc2
[ 1, 39, 63, 39, 263, 44, 262, 39, 261, 51, 13, 264, 63, 39, 36, 44, 65, 21, 306, 21, 13, 317, 22, 71, 71, 71, 71, 71, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@H](C(=O)NC[C@H]1CCCO1)Oc2ccccc2
[ 1, 39, 63, 39, 36, 44, 262, 39, 261, 51, 13, 264, 63, 39, 36, 44, 65, 21, 306, 21, 13, 317, 22, 71, 71, 71, 71, 71, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@@H](C(=O)NC[C@@H]1CCCO1)Oc2ccccc2
[ 1, 39, 63, 39, 263, 44, 262, 39, 261, 51, 13, 264, 63, 39, 263, 44, 65, 21, 306, 21, 13, 317, 22, 71, 71, 71, 71, 71, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@H](C(=O)NC[C@@H]1CCCO1)Oc2ccccc2
[ 1, 39, 63, 39, 36, 44, 262, 39, 261, 51, 13, 264, 63, 39, 263, 44, 65, 21, 306, 21, 13, 317, 22, 71, 71, 71, 71, 71, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1c(non1)NC(=O)c2ccccc2
[ 1, 266, 21, 71, 12, 407, 21, 13, 264, 261, 51, 13, 71, 22, 71, 71, 71, 71, 71, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCN(CC)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]
[ 1, 273, 12, 39, 39, 13, 39, 261, 51, 269, 39, 36, 44, 65, 21, 39, 39, 39, 39, 63, 39, 36, 44, 65, 21, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0 ]
c1cc(ccc1NC(=O)Cn2cncn2)Cl
[ 1, 71, 21, 71, 71, 12, 71, 71, 71, 21, 264, 261, 51, 13, 286, 22, 349, 22, 13, 278, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1cc(cc(c1)C(=O)NCC[NH+](C)C)C
[ 1, 266, 21, 71, 71, 12, 71, 71, 12, 71, 21, 13, 39, 261, 51, 13, 298, 63, 270, 281, 39, 13, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CN(C)C(=O)c1cc(c(cc1OC)OC)OC
[ 1, 268, 12, 39, 13, 39, 261, 51, 13, 71, 21, 71, 71, 12, 71, 12, 71, 71, 21, 265, 13, 265, 13, 265, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1nncn1NC(=O)CCC2CCCC2
[ 1, 71, 21, 391, 21, 264, 261, 51, 13, 39, 39, 39, 22, 39, 39, 39, 39, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@@H](CO)Nc1nc2ccccc2n1C
[ 1, 39, 39, 63, 39, 263, 44, 262, 274, 13, 284, 21, 267, 22, 71, 71, 71, 71, 71, 22, 82, 21, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@H](CO)Nc1nc2ccccc2n1C
[ 1, 39, 39, 63, 39, 36, 44, 262, 274, 13, 284, 21, 267, 22, 71, 71, 71, 71, 71, 22, 82, 21, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@@H](CO)Nc1[nH]c2ccccc2n1
[ 1, 39, 39, 63, 39, 263, 44, 262, 274, 13, 284, 21, 63, 279, 65, 71, 22, 71, 71, 71, 71, 71, 22, 82, 21, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@H](CO)Nc1[nH]c2ccccc2n1
[ 1, 39, 39, 63, 39, 36, 44, 262, 274, 13, 284, 21, 63, 279, 65, 71, 22, 71, 71, 71, 71, 71, 22, 82, 21, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccc(c(c1)C(=O)NC2=[NH+]CCS2)F
[ 1, 71, 21, 71, 71, 71, 12, 71, 12, 71, 21, 13, 39, 261, 51, 13, 264, 22, 499, 270, 271, 305, 22, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1ccc(c(c1)C(=O)Nn2cnnc2)C
[ 1, 266, 21, 71, 71, 71, 12, 71, 12, 71, 21, 13, 39, 261, 51, 13, 555, 22, 422, 22, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC1(C[C@H](CCO1)C(=O)N2CCOCC2)C
[ 1, 39, 39, 21, 12, 39, 63, 39, 36, 44, 262, 283, 21, 13, 39, 261, 51, 13, 50, 22, 302, 22, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC1(C[C@@H](CCO1)C(=O)N2CCOCC2)C
[ 1, 39, 39, 21, 12, 39, 63, 39, 263, 44, 262, 283, 21, 13, 39, 261, 51, 13, 50, 22, 302, 22, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccnc(c1)NC(=O)NCC(F)(F)F
[ 1, 71, 21, 292, 12, 71, 21, 13, 264, 261, 51, 13, 298, 12, 42, 272, 42, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@H]1CCCCN1C(=O)N[C@@H](C)C(=O)[O-]
[ 1, 39, 63, 39, 36, 44, 65, 21, 327, 21, 39, 261, 51, 13, 50, 63, 39, 263, 44, 262, 39, 13, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cc(ccc1CNC(=O)c2ccc(=O)[nH]n2)F
[ 1, 71, 21, 71, 71, 12, 71, 71, 71, 21, 277, 261, 51, 13, 71, 22, 71, 71, 71, 261, 51, 269, 279, 65, 82, 22, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCc1cccc(c1)NC(=O)N[C@@H](C)C(=O)[O-]
[ 1, 287, 21, 71, 71, 71, 71, 12, 71, 21, 13, 264, 261, 51, 13, 50, 63, 39, 263, 44, 262, 39, 13, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cc(cc(c1)NC(=O)[C@H]2CCC(=O)O2)C(=O)[O-]
[ 1, 71, 21, 71, 71, 12, 71, 71, 12, 71, 21, 13, 264, 261, 51, 269, 39, 36, 44, 65, 22, 39, 39, 39, 261, 51, 13, 51, 22, 13, 39, 261, 51, 269, 51, 296, 2, 0 ]
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C[C@@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2
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COc1cccc(c1)NC(=O)c2ccc(=O)[nH]n2
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CC[C@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2
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CC[C@@H]1CCCCN1C(=O)c2ccc(=O)[nH]n2
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Cc1ccccc1NC(=O)N[C@@H](C)C(=O)[O-]
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C[C@@H]1CCC[C@@H](N1C(=O)c2ccc(=O)[nH]n2)C
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C[C@@H]1CCC[C@H](N1C(=O)c2ccc(=O)[nH]n2)C
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C[C@H]1CCC[C@@H](N1C(=O)c2ccc(=O)[nH]n2)C
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c1coc2c1[C@H](CCC2)NC(=O)CCC(=O)[O-]
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c1coc2c1[C@@H](CCC2)NC(=O)CCC(=O)[O-]
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C[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C(=O)[O-]
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C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C(=O)[O-]
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C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C(=O)[O-]
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C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C(=O)[O-]
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C[C@@H](C(=O)[O-])NC(=O)N(C)Cc1ccccc1
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CCc1ccccc1NC(=O)c2ccc(=O)[nH]n2
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CC1CCC(CC1)NC(=O)N[C@@H](C)C(=O)[O-]
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CC1CCN(CC1)C(=O)c2ccc(=O)[nH]n2
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COc1ccccc1NC(=O)c2ccc(=O)[nH]n2
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C[C@H]1CCCCN1C(=O)N[C@@H](C(C)C)C(=O)[O-]
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c1cc(=O)[nH]nc1C(=O)NC2CCCCCCC2
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c1cc(=O)[nH]nc1C(=O)N2CCCCCC2
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C[C@@H]1C[C@@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C
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C[C@@H]1C[C@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C
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C[C@H]1C[C@@H](CN(C1)C(=O)c2ccc(=O)[nH]n2)C
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C[C@H]1CCCCN1C(=O)N[C@@H](C)C(=O)OC
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c1cc(sc1)C(=O)N[C@H]2C[NH+]3CCC2CC3
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c1cc(oc1)C(=O)N[C@H]2C[NH+]3CCC2CC3
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CCC(=O)Nc1cccc(c1)C(=O)OCC(=O)C
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CC(=O)COC(=O)c1ccc(cc1)OC
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CC(=O)COC(=O)c1ccc(cc1)NC(=O)C
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CC(=O)COC(=O)c1cc2ccccc2oc1=O
[ 1, 39, 39, 261, 51, 13, 276, 261, 51, 13, 71, 21, 71, 71, 22, 71, 71, 71, 71, 71, 22, 333, 21, 33, 51, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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CC(=O)COC(=O)c1ccc(cc1)N(C)C
[ 1, 39, 39, 261, 51, 13, 276, 261, 51, 13, 71, 21, 71, 71, 71, 12, 71, 71, 21, 13, 50, 12, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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CCC(=O)Nc1ncc(s1)CC(=O)OCC
[ 1, 39, 39, 39, 261, 51, 13, 284, 21, 322, 12, 87, 21, 13, 39, 39, 261, 51, 13, 303, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccc(c(c1)CO)OCC(=O)N2CCCCC2
[ 1, 71, 21, 71, 71, 71, 12, 71, 12, 71, 21, 13, 274, 13, 303, 261, 51, 13, 50, 22, 39, 39, 39, 39, 39, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCNC(=O)COc1ccc(cc1C)C
[ 1, 301, 261, 51, 13, 299, 21, 71, 71, 71, 12, 71, 71, 21, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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Cc1cccc(c1C)OCC(=O)N(C)C
[ 1, 266, 21, 71, 71, 71, 71, 12, 71, 21, 39, 13, 303, 261, 51, 13, 50, 12, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1ccc(c(c1)C)OCC(=O)Nn2cnnc2
[ 1, 266, 21, 71, 71, 71, 12, 71, 12, 71, 21, 13, 39, 13, 303, 261, 51, 13, 555, 22, 422, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccc(cc1)SCC(=O)Nn2cnnc2
[ 1, 71, 21, 71, 71, 71, 12, 71, 71, 21, 13, 371, 261, 51, 13, 555, 22, 422, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1ccc(cc1)OCC(=O)NC[C@H]2CCCO2
[ 1, 266, 21, 71, 71, 71, 12, 71, 71, 21, 13, 303, 261, 51, 13, 264, 63, 39, 36, 44, 65, 22, 306, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1ccc(cc1)OCC(=O)NC[C@@H]2CCCO2
[ 1, 266, 21, 71, 71, 71, 12, 71, 71, 21, 13, 303, 261, 51, 13, 264, 63, 39, 263, 44, 65, 22, 306, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCCC(=O)OC[C@@H]1COC(O1)(C)C
[ 1, 39, 39, 39, 39, 261, 51, 13, 265, 63, 39, 263, 44, 65, 21, 276, 12, 51, 21, 272, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
[ 1, 39, 39, 261, 51, 13, 284, 21, 71, 71, 71, 71, 71, 21, 55, 261, 51, 285, 51, 13, 39, 12, 42, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccnc(c1)C(=O)Nc2nccs2
[ 1, 71, 21, 292, 12, 71, 21, 13, 39, 261, 51, 13, 284, 22, 376, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1ccc2c(c1)[nH]c(n2)NC(=O)CCCC(=O)[O-]
[ 1, 71, 21, 71, 71, 71, 22, 71, 12, 71, 21, 269, 279, 65, 71, 12, 82, 22, 13, 264, 261, 51, 13, 39, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0 ]
c1ccc(cc1)c2cc(ncn2)N3CCOCC3
[ 1, 71, 21, 71, 71, 71, 12, 71, 71, 21, 13, 71, 22, 71, 71, 12, 326, 22, 13, 50, 23, 302, 23, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1cc(n2c(n1)c(cn2)C(=O)NC(C)C)C
[ 1, 266, 21, 71, 71, 12, 82, 22, 71, 12, 82, 21, 13, 71, 12, 275, 22, 13, 39, 261, 51, 13, 264, 12, 39, 13, 39, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC1(CCCCC1)C(=O)N2CCOCC2
[ 1, 39, 39, 21, 12, 39, 39, 39, 39, 39, 21, 13, 39, 261, 51, 13, 50, 22, 302, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
C[C@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-]
[ 1, 39, 63, 39, 36, 44, 65, 21, 39, 39, 39, 39, 63, 39, 36, 44, 65, 21, 264, 261, 51, 13, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0 ]
C[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-]
[ 1, 39, 63, 39, 263, 44, 65, 21, 39, 39, 39, 39, 63, 39, 36, 44, 65, 21, 264, 261, 51, 13, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0 ]
C[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)[O-]
[ 1, 39, 63, 39, 36, 44, 65, 21, 39, 39, 39, 39, 63, 39, 263, 44, 65, 21, 264, 261, 51, 13, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0 ]
C[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)[O-]
[ 1, 39, 63, 39, 263, 44, 65, 21, 39, 39, 39, 39, 63, 39, 263, 44, 65, 21, 264, 261, 51, 13, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0 ]
CC(C)(C)CNS(=O)(=O)c1ccc(cc1)N
[ 1, 39, 39, 12, 39, 272, 39, 13, 366, 261, 51, 285, 51, 13, 71, 21, 71, 71, 71, 12, 71, 71, 21, 13, 50, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCN(CC)C(=O)CSc1nnc(s1)C
[ 1, 273, 12, 39, 39, 13, 39, 261, 51, 13, 360, 21, 288, 12, 87, 21, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCOC(=O)[C@@H](C)Sc1nnc(s1)C
[ 1, 282, 261, 51, 269, 39, 263, 44, 262, 39, 13, 372, 21, 288, 12, 87, 21, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCOC(=O)[C@H](C)Sc1nnc(s1)C
[ 1, 282, 261, 51, 269, 39, 36, 44, 262, 39, 13, 372, 21, 288, 12, 87, 21, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cnc(cn1)C(=O)Nc2nccs2
[ 1, 71, 21, 280, 12, 275, 21, 13, 39, 261, 51, 13, 284, 22, 376, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CCC(=O)Oc1ccc(cc1)NC(=O)C
[ 1, 39, 39, 39, 261, 51, 13, 317, 21, 71, 71, 71, 12, 71, 71, 21, 13, 264, 261, 51, 13, 39, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cc(c(nc1)Cl)NC(=O)CCC(=O)[O-]
[ 1, 71, 21, 71, 71, 12, 71, 12, 267, 21, 13, 278, 13, 264, 261, 51, 13, 39, 39, 39, 261, 51, 269, 51, 296, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
COc1cc(ccc1OC(=O)OC)C=O
[ 1, 299, 21, 71, 71, 12, 71, 71, 71, 21, 265, 261, 51, 13, 265, 13, 39, 33, 51, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1cc2c(ncnc2s1)NC[C@@H](C)O
[ 1, 266, 21, 71, 71, 22, 71, 12, 416, 22, 87, 21, 13, 264, 63, 39, 263, 44, 262, 39, 13, 51, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1cc2c(ncnc2s1)NC[C@H](C)O
[ 1, 266, 21, 71, 71, 22, 71, 12, 416, 22, 87, 21, 13, 264, 63, 39, 36, 44, 262, 39, 13, 51, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC(C)NS(=O)(=O)c1cccnc1Cl
[ 1, 39, 39, 12, 39, 13, 329, 261, 51, 285, 51, 13, 71, 21, 313, 21, 278, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1csc2n1cc([nH+]2)CNC(=O)C(F)(F)F
[ 1, 71, 21, 334, 22, 82, 21, 71, 71, 295, 279, 271, 22, 13, 277, 261, 51, 13, 39, 12, 42, 272, 42, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cn1c(c(cn1)Cl)C(=O)N2CCCC2
[ 1, 286, 21, 71, 12, 71, 12, 275, 21, 13, 278, 13, 39, 261, 51, 13, 50, 22, 39, 39, 39, 39, 22, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
c1cc(sc1/C=C(/C#N)\C(=O)N)Cl
[ 1, 71, 21, 71, 71, 12, 324, 21, 19, 39, 33, 39, 388, 39, 7, 50, 411, 39, 261, 51, 13, 50, 13, 278, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1c(cnn1C)C(=O)N2CCc3c2cccc3
[ 1, 266, 21, 71, 12, 312, 21, 39, 13, 39, 261, 51, 13, 50, 22, 287, 23, 71, 22, 71, 71, 71, 71, 23, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Cc1csc(n1)NC(=O)C(F)(F)F
[ 1, 266, 21, 334, 12, 82, 21, 13, 264, 261, 51, 13, 39, 12, 42, 272, 42, 13, 42, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@@H](CO)NC(=O)c1ccccc1OC
[ 1, 39, 39, 63, 39, 263, 44, 262, 274, 13, 264, 261, 51, 13, 71, 21, 71, 71, 71, 71, 71, 21, 265, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
CC[C@H](CO)NC(=O)c1ccccc1OC
[ 1, 39, 39, 63, 39, 36, 44, 262, 274, 13, 264, 261, 51, 13, 71, 21, 71, 71, 71, 71, 71, 21, 265, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]