Upload files to 'assets/addons/python/molGenerator/database/reactor'

assets/addons/python/molGenerator/database/reactor/mol.db

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+Smile=H1N1C6F1
+Energy=74.5 eV
+
+Smile=N3C2H4O1S1
+Energy=95.0 eV
+
+Smile=P2Cl2H1N2
+Energy=104.5 eV
+
+Smile=H7O3Cl1S2
+Energy=129.5 eV
+
+Smile=Cl1C5P3H2S1
+Energy=142.5 eV
+
+Smile=Cl2C4H5N2
+Energy=116.5 eV
+
+Smile=C4Cl1N1S1O1
+Energy=94.0 eV
+
+Smile=C4N2O1S2F1H3P1Cl1
+Energy=170.5 eV
+
+Smile=C4N2F1O1S1
+Energy=97.0 eV
+
+Smile=C3O1Cl1F1H1
+Energy=76.0 eV
+
+Smile=C6O1H2S1
+Energy=86.0 eV
+
+Smile=F1Cl3N1C2
+Energy=106.0 eV
+
+Smile=H3C3Cl2O1S1N1
+Energy=122.0 eV
+
+Smile=C2S2H4N3Cl4
+Energy=191.0 eV
+
+Smile=S3N3F1H2C1O1
+Energy=133.5 eV
+
+Smile=H5S1Cl1P1C1
+Energy=90.0 eV
+
+Smile=C4H3S1F1O2Cl1
+Energy=124.5 eV
+
+Smile=H4C2S2N2O1
+Energy=105.0 eV
+
+Smile=N3O2H3Cl1P1C1
+Energy=115.0 eV
+
+Smile=P1O2H2C2N1
+Energy=76.0 eV
+
+Smile=O1C2H1S1Cl1
+Energy=73.5 eV
+
+Smile=H1F1O2Cl1S1
+Energy=85.5 eV
+
+Smile=S1P1O2H2C1F1
+Energy=93.5 eV
+
+Smile=H2S1C2N1O1Cl1
+Energy=88.0 eV
+
+Smile=Cl2C4S2O1H1N2F1
+Energy=165.5 eV
+
+Smile=N2F2H1O1C1
+Energy=74.0 eV
+
+Smile=N3C2O3Cl1
+Energy=103.0 eV
+
+Smile=C4H2S2N1P1O2
+Energy=131.0 eV
+
+Smile=C4N1O2Cl1
+Energy=86.0 eV
+
+Smile=H5N2Cl1C4O3
+Energy=130.5 eV
+
+Smile=O1N1C4F2
+Energy=82.0 eV
+
+Smile=C3H1F3
+Energy=72.0 eV
+
+Smile=C4N2O1P1S1Cl1H1F1
+Energy=141.5 eV
+
+Smile=C4Cl2H1F1N3P1
+Energy=141.5 eV
+
+Smile=O1P1H1C2
+Energy=49.5 eV
+
+Smile=H3Cl4P1O4C3
+Energy=190.0 eV
+
+Smile=C1H3S1
+Energy=41.0 eV
+
+Smile=C2F3O2N1
+Energy=94.0 eV
+
+Smile=C4O1H1
+Energy=46.5 eV
+
+Smile=P1C2S2H1Cl1
+Energy=99.5 eV
+
+Smile=C5S2H3Cl2F1O2
+Energy=174.0 eV
+
+Smile=S1C4N3F1O3H1
+Energy=135.5 eV
+
+Smile=C5H2S1O2N3Cl1
+Energy=142.5 eV
+
+Smile=C4H2O1
+Energy=51.0 eV
+
+Smile=C7O1H1Cl1
+Energy=91.0 eV
+
+Smile=Cl3H2C4O1
+Energy=117.0 eV
+
+Smile=C1P4F2H1Cl1O1
+Energy=148.0 eV
+
+Smile=C1N1O1H1F1
+Energy=49.0 eV
+
+Smile=H5Cl2C2N1
+Energy=91.5 eV
+
+Smile=C5H2F1P1O1N2Cl3
+Energy=177.5 eV
+