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Tag Smiles Reactions
PTDBPRD00003 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 3
PTDBPRD00011 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00014 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O 1
PTDBPRD00016 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00019 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H]2CCCN2C1=O 1
PTDBPRD00021 CC(C)=CC[C@@]12C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00024 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H]2CCCN2C1=O 1
PTDBPRD00026 CC(C)=CC[C@]12C[C@@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00029 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H]2CCCN2C1=O 1
PTDBPRD00031 CC(C)=CC[C@]12C[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00034 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O 1
PTDBPRD00036 CC(C)=CC[C@@]12C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00038 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00041 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](C)NC1=O 1
PTDBPRD00043 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@H](C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00046 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O 1
PTDBPRD00048 CC(C)=CC[C@]12C[C@@H]3C(=O)N[C@H](C)C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00051 CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H](C)NC1=O 1
PTDBPRD00053 CC(C)=CC[C@]12C[C@@H]3C(=O)N[C@@H](C)C(=O)N3[C@H]1Nc1ccccc12 1
PTDBPRD00056 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1=O 1
PTDBPRD00058 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00061 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)CNC1=O 2
PTDBPRD00063 CC(C)=CC[C@@]12C[C@H]3C(=O)NCC(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00066 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O 2
PTDBPRD00071 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00074 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 2
PTDBPRD00076 CC(C)=CC[C@@]12C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3[C@@H]1Nc1ccccc12 1
PTDBPRD00078 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 2
PTDBPRD00081 CC(C)=CCc1cc(CC(=O)C(=O)O)ccc1O 2
PTDBPRD00084 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1
PTDBPRD00087 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C 1
PTDBPRD00090 COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C 1
PTDBPRD00093 CC(C)=CCOc1c(C)cc2oc3cccc(O)c3c(=O)c2c1CO 1
PTDBPRD00096 CC(C)=CCOc1cc2c(=O)c3c(O)cccc3oc2cc1C 2
PTDBPRD00099 CC(C)=CCOc1c(C)cc2oc3cccc(O)c3c(=O)c2c1C 1
PTDBPRD00102 CC(C)=CCOc1c(C)c(C)c2oc3cccc(O)c3c(=O)c2c1C 1
PTDBPRD00105 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 11
PTDBPRD00108 CC(C)=CCOc1ccc(C[C@H](N)C(=O)O)cc1 8
PTDBPRD00111 CC(C)=CCc1ccc(O)c(C[C@H](N)C(=O)O)c1 6
PTDBPRD00114 CC(C)=CCc1ccc(O)cc1C[C@H](N)C(=O)O 1
PTDBPRD00115 CC(C)=CCc1ccc(C[C@H](N)C(=O)O)cc1O 1
PTDBPRD00116 CC(C)=CCc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1 3
PTDBPRD00117 CC(C)=CCc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1 2
PTDBPRD00118 CC(C)=CCc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12 11
PTDBPRD00119 CC(C)=CCc1cc(C[C@H](N)C(=O)O)ccc1O 3
PTDBPRD00122 CC(C)=CCn1cc(C[C@H](N)C(=O)O)c2c(C)cccc21 1
PTDBPRD00125 COc1c(CC=C(C)C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 1
PTDBPRD00128 CC(C)=CCc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1N 1
PTDBPRD00129 CC(C)=CCc1ccc(N)c2c(C[C@H](N)C(=O)O)c[nH]c12 1
PTDBPRD00132 C=CC(C)(C)[C@@]12C[C@@H](C(=O)O)N[C@@H]1Nc1cccc(C)c12 1
PTDBPRD00133 C=CC(C)(C)[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12 1
PTDBPRD00134 CC(C)=CC[C@@]12C[C@@H](C(=O)O)N[C@@H]1Nc1cccc(C)c12 1
PTDBPRD00135 CC(C)=CC[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12 1
PTDBPRD00138 CC(=O)/C(=C/c1c[nH]c2ccccc12)CC=C(C)C 1
PTDBPRD00141 CC(C)=CCc1cccc2c(C[C@H](N)C(=O)NCC(=O)O)c[nH]c12 1
PTDBPRD00146 COC1=C(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c(CC=C(C)C)[nH]c3ccccc23)C1=O 1
PTDBPRD00147 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21 1
PTDBPRD00150 C=CC(C)(C)n1cc(-c2c(OC)c(=C)c(-c3c(CC=C(C)C)[nH]c4ccccc34)c(OC)c2=C)c2ccccc21 1
PTDBPRD00153 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21 2
PTDBPRD00154 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC)C2=O)c2ccccc21 2
PTDBPRD00157 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 2
PTDBPRD00160 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@@H](N)C(=O)O)c12 4
PTDBPRD00163 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@H](N)C(=O)O)c12 2
PTDBPRD00166 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00169 COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00172 COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00175 CC(C)=CCc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00178 CC(C)=CCc1cccc2c(C[C@H](N)CC(=O)O)c[nH]c12 2
PTDBPRD00181 CC(C)=CCc1cccc2c(CCN)c[nH]c12 2
PTDBPRD00182 CC(C)=CCc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00185 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)cccc12)C(=O)O 2
PTDBPRD00188 CC(C)=CCc1cccc2c(C[C@@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00191 CC(C)=CCc1cccc2c(C[C@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00194 CC(C)=CCc1cccc2c(C[C@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00197 CC(C)=CCc1cccc2c(C[C@@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00198 CC(C)=CCc1cc(C)cc2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00199 CC(C)=CCc1cc(C)cc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00200 CC(C)=CCc1c(C)ccc2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00201 CC(C)=CCc1c(C)ccc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00202 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1 2
PTDBPRD00203 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)CC(=O)O)c12 3
PTDBPRD00204 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1 2
PTDBPRD00207 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00210 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00213 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](N)CC(=O)O)c[nH]c12 2
PTDBPRD00216 CC(C)=CCc1ccc(CC=C(C)C)c2c(CCN)c[nH]c12 2
PTDBPRD00219 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)ccc(CC=C(C)C)c12)C(=O)O 2
PTDBPRD00222 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00225 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00228 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00231 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00232 CC(C)=CCc1cccc2[nH]cc(CCN)c12 2
PTDBPRD00235 CC(C)=CCc1cc(C)c(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00238 CC(C)=CCc1cc(C)c(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00241 CC(C)=CCc1c(C)cc(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00244 CC(C)=CCc1c(C)cc(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00247 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00250 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00259 CN[C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C(=O)O 4
PTDBPRD00280 CC(C)=CCc1cccc2[nH]cc(C[C@@](C)(N)C(=O)O)c12 3