diff --git a/configs/lgi/test.yaml b/configs/lgi/test.yaml
index 788898e..e4c3a24 100644
--- a/configs/lgi/test.yaml
+++ b/configs/lgi/test.yaml
@@ -1,10 +1,10 @@
 seed: 42
-#root_dir: /home/daniel/Data1/roman/GIFFLAR/lgi_data
-#logs_dir: /home/daniel/Data1/roman/GIFFLAR/lgi_logs
-#origin: /home/daniel/Desktop/GIFFLAR/lgi_data_full.pkl
-root_dir: /scratch/SCRATCH_SAS/roman/Gothenburg/GIFFLAR/lgi_data
-logs_dir: /scratch/SCRATCH_SAS/roman/Gothenburg/GIFFLAR/lgi_logs
-origin: /home/rjo21/Desktop/GIFFLAR/lgi_data.pkl
+root_dir: /home/daniel/Data1/roman/GIFFLAR/lgi_data
+logs_dir: /home/daniel/Data1/roman/GIFFLAR/lgi_logs
+origin: /home/daniel/Desktop/GIFFLAR/lgi_data_full.pkl
+#root_dir: /scratch/SCRATCH_SAS/roman/Gothenburg/GIFFLAR/lgi_data
+#logs_dir: /scratch/SCRATCH_SAS/roman/Gothenburg/GIFFLAR/lgi_logs
+#origin: /home/rjo21/Desktop/GIFFLAR/lgi_data.pkl
 model:
   glycan_encoder:
     name: gifflar
@@ -16,7 +16,7 @@ model:
     name: ESM
     layer_num: 33
   batch_size: 256
-  epochs: 5
+  epochs: 100
   learning_rate: 0.001
   optimizer: Adam
 
diff --git a/datasets/glycans_1000.txt b/datasets/glycans_1000.txt
new file mode 100644
index 0000000..90a2166
--- /dev/null
+++ b/datasets/glycans_1000.txt
@@ -0,0 +1,999 @@
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]Glc6S-ol
+Glc2S3S4S6S(a1-1)[Glc2S3S4S6S(a1-4)Glc2S3S6S(b1-4)]Glc2S3S6S
+Fruf(b2-1)[Gal(a1-2)]Glc
+Kdo(a2-6)GlcN(a1-4)GalA(a1-3)[GlcN(a1-4)GalA(a1-7)Hep(a1-7)][Glc(b1-2)]Hep(a1-3)[Gal(b1-4)]Hep(a1-5)[Ko(a2-4)]Kdo
+Glc(b1-4)[Glc(b1-2)Rha(a1-6)]Glc(b1-3)Glc(b1-4)Glc(b1-4)Rib(b1-3)Rha(a1-2)Ara
+D-Fuc(b1-4)D-Fuc(b1-4)D-Fuc(b1-4)D-Fuc(b1-4)D-Fuc(b1-4)D-Fuc(b1-4)D-Fuc
+Rha(a1-4)GalNAcAN(a1-4)GalNFoAN(a1-3)QuiNAc(a1-3)Rha
+GlcNAcOPCho(b1-2)Man(a1-3)Man(b1-4)[Gal(a1-2)Fuc(a1-3)]GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+AltNAcA(a1-3)D-6dXylHex(a1-4)AltNAcA
+Fuc(a1-3)GlcNAc(b1-3)Gal(b1-3)GlcNAc
+Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-2)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Gal(a1-6)Gal(a1-5)Araf(a1-5)[Araf(a1-3)]Araf(a1-6)Gal
+3,6-Anhydro-L-Gal(a1-3)Gal4Pyr6Pyr(b1-4)3,6-Anhydro-L-Gal(a1-3)Gal
+Kdn(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)Glc
+Gal(b1-4)Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)Glc-ol
+Rha3Ac(a1-2)Rha(a1-3)Rha2Ac(a1-3)[Glc(a1-4)]GlcNAc
+D-FucNAc(a1-4)ManNAcA(b1-4)GlcNAc(a1-3)Glc(b1-3)[Gal(a1-2)Gal(a1-2)]Glc(a1-3)Glc(a1-3)[GlcN(a1-7)LDManHep(a1-7)]LDManHep(a1-3)LDManHepOPPEtN(a1-5)Kdo
+Fruf1Cl6Cl(b2-1)Gal4Cl
+Fuc(a1-2)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Kdn(a2-6)Gal(b1-4)GlcNAc(b1-2)[Kdn(a2-3)Gal(b1-4)[Fuc(a1-3)]Glc(b1-4)]Man(a1-3)[Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Fuc2S(a1-3)Fuc2S(a1-3)Fuc(a1-3)Fuc(a1-3)Fuc2S
+Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc
+Glc(b1-2)[Glc(b1-6)]Glc(b1-2)Glc
+Man(a1-8)Kdo(a2-4)[Rha2Ac(a1-3)Rha2Ac(a1-3)QuiNAc4Ac(b1-4)[GlcNAc(a1-6)]GlcNAc3Ac(b1-4)Man(a1-5)]Kdo
+Man(a1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(a1-2)Man
+ManNAcAAla(b1-4)GlcNAcA(b1-4)ManNAcAAla
+Gal(a1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Neu5Ac(a2-6)Gal(b1-4)[Fuc(a1-3)]Glc-ol
+ManNAcA4Ac(b1-3)FucNAc(a1-3)FucNAc(a1-3)ManNAcA4Ac
+Glc(b1-4)Gal(b1-2)[Xyl(b1-3)]Glc(b1-4)Gal
+Gal(a1-3)Gal(a1-3)Gal(a1-3)Gal(a1-3)Gal(a1-4)Gal(b1-4)Glc1Cer
+Glc2S3S4S6S(a1-4)Glc2S3S6S(a1-4)Glc2S3S6S(b1-4)Glc2Me3Me6S(a1-4)Glc2Me3Me6Me(b1-4)Glc2Me3Me6Me(a1-4)Glc2Me3Me6Me(b1-4)Glc2Me3Me6Me(a1-4)Glc2Me3Me6Me(b1-4)Glc2Me3Me6Me(a1-4)Glc2Me3Me6Me(b1-4)Glc2Me3Me6S(a1-4)GlcA2Me3Me(b1-4)Glc2S3S6S(a1-4)IdoA2Me3Me(a1-4)Glc1Me2S3Me6S
+Xyl(b1-4)Xyl(b1-3)Xyl2F
+D-RhaNAc(a1-2)D-RhaNAc(a1-3)D-RhaNAc(a1-3)D-RhaNAc
+Neu5Ac(a2-3)Glc
+Man(b1-3)[Man(a1-6)]Man(b1-4)GlcNAc(a1-4)GlcNAc
+Rha(a1-2)Xyl4Ac
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]HexNAc(b1-4)]Man(a1-3)[Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+GlcNAc6S(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc6S(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+FucNAc(a1-3)[Glc(a1-6)]GlcNAc(b1-2)Rha(a1-6)Glc(a1-3)FucNAc
+Fuc(a1-3)GlcNAcOS(b1-6)[Gal(b1-3)]GalNAc
+Gal(a1-3)Gal6PEtN(b1-4)LDManHep(a1-6)Glc
+Glc(b1-6)Glc(b1-6)Glc(b1-4)D-FucOMe
+Man(a1-3)[Galf(b1-6)]Man
+6dTal(a1-3)6dTal(a1-2)6dTal(a1-3)6dTal
+Fuc(a1-3)GalNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)[GalNAc(b1-4)]Gal(b1-4)Glc1Cer
+GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Man(b1-2)Man(b1-2)Man(b1-2)Man(b1-2)Man(a1-2)Man(a1-2)Man(a1-2)[Man(b1-2)Man(b1-2)Man(b1-2)Man1P(a1-6)]Man(a1-2)Man(a1-2)Man(a1-6)Man(a1-6)[Man(b1-2)Man(b1-2)Man(a1-2)Man(a1-3)Man(a1-2)Man(a1-2)]Man(a1-3)[Man(a1-3)Man(a1-2)Man(a1-6)[Man(a1-3)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+GlcNAc(b1-2)Man(a1-3)[Man(a1-6)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Xyl(b1-4)Xyl(b1-4)Xyl(b1-4)Xyl(b1-4)Xyl(b1-4)Xyl(b1-4)Xyl(b1-4)Xyl
+Glc(a1-4)Glc1Me
+Kdn(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Rha(a1-3)Glc2Ac(b1-4)GlcA(b1-4)[L-Man(a1-3)]Glc(b1-4)Rha
+Glc2Ac3Ac6Ac(b1-4)Glc2Ac3Ac6Ac
+Glc(b1-4)Glc(b1-4)DigOMe
+Neu5Ac(a2-3)Gal(b1-4)[Fuc(b1-3)]GlcNAc(b1-3)[Neu5Ac(a2-3)Gal(b1-4)[Fuc(b1-3)]GlcNAc(b1-3)[Neu5Ac(a2-3)Gal(b1-4)[Fuc(b1-3)]GlcNAc(b1-3)Gal(b1-4)Glc(b1-4)]Gal(b1-4)Glc(b1-4)]Gal
+Pse5Ac7Ac(a2-4)Pse5Ac7Ac(a2-6)Gal(a1-6)Glc(a1-3)[Glc(b1-2)]LDManHep(a1-3)[Man(b1-4)][Ara4N(b1-7)]LDManHep(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN(b1-6)[Ara4N(b1-4)]GlcN1P
+GlcNAc1P(a1-4)Glc2Ac(b1-6)GlcNAc1P
+Glc(a1-2)Glc(a1-2)[GlcNAc(a1-3)]Gal(a1-3)Glc(a1-3)[GalA(b1-7)LDManHep(a1-7)]LDManHepOPEtN(a1-3)LDManHepOPPEtN(a1-5)[AraN(b1-8)]Kdo
+Galf(b1-4)[Gal(b1-6)]GlcNAc
+Gal4Pyr6Pyr(a1-4)GlcA(b1-3)Gal(a1-3)Fuc(a1-3)Glc
+Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(a1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Glc(a1-2)Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)Man(b1-4)GlcNAc(b1-4)ManNAc
+Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)[Neu5Ac(a2-6)]GalNAc
+Xyl2Ac(b1-4)Xyl3Ac(b1-4)Xyl2Ac3Ac(b1-4)[GlcA4Me(a1-2)]Xyl3Ac(b1-4)Xyl(b1-4)Xyl2Ac
+LDManHep(a1-4)[Gal(a1-7)]Kdo(a2-2)Glc(a1-3)Glc(a1-3)[LDManHep(a1-7)]LDManHepOP(a1-3)LDManHepOP(a1-5)[Kdo(a2-2)]Kdo
+Kdo4P(a2-6)GlcN4P(b1-6)GlcN
+GlcNAc(a1-2)Glc(a1-2)Glc(a1-3)[Gal(a1-6)]Glc(a1-3)[LDManHep(a1-7)]LDManHepOP(a1-3)LDManHepOP(a1-5)[Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)GlcN1P
+Glc(b1-3)[Rha1P(a1-2)]Glc(a1-4)Rha2Ac3PCho(b1-4)Glc
+Neu5Ac(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-4)][Man(a1-6)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Ac(a2-3)[GlcNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Man6PEtN(a1-2)Man(a1-6)ManOPEtN(a1-4)GlcN
+D-Sorf(b2-1)Glc
+Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc-ol
+Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)Gal(b1-3)[Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]GalNAc
+Glc6AcNMe2Vac(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)[FucOMe(a1-6)]GlcNAc
+Neu2P5Gc(b2-5)Ribf1N
+Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)Man(a1-6)]Man
+ManNAc(b1-3)ManNAc(b1-4)ManNAc
+Man(b1-2)Man(b1-3)D-Alt(b1-4)GlcNAc(b1-4)GlcNAc1N
+GlcN2Vac(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc
+Man(b1-3)[Man(b1-6)Man(b1-6)]Man
+Man(a1-2)[Glc(b1-3)]Man(b1-3)Man(b1-4)L-Man-ol
+Neu5Ac(a2-3)Gal(b1-3)[Gal6S(b1-4)GlcNAc6S(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)GalOS(b1-4)GlcNAcOS(b1-3)Gal(b1-4)GlcNAc(b1-6)]GalNAc
+Gal(a1-6)[Man(a1-2)]Gal(a1-6)Gal
+Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Gal4S(b1-3)GlcNAcOS(b1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Gal(a1-2)Gal(a1-2)[Glc(b1-3)]Glc(a1-3)Glc(a1-3)[GlcN(a1-7)LDManHep(a1-7)]LDManHepOP(a1-3)LDManHepOP(a1-5)[Kdo(a2-4)]Kdo
+GlcNAc(b1-3)Gal(b1-3)GalNAc(a1-4)GalNAc(b1-4)GlcNAc6Aep(b1-3)Man(b1-4)Glc1Cer
+Man6PEtN(a1-6)ManOPEtN(a1-4)GlcN
+GalNAc(b1-4)GlcNAcOPCho(b1-2)Man(a1-3)[GlcNAc(b1-2)ManOS(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Neu4Ac5Ac(a2-3)Gal6Ac(b1-4)Glc1Cer
+Gal(a1-2)Gal(a1-2)[Gal(b1-4)]Glc(a1-3)Glc(a1-3)[LDManHep(a1-7)]LDManHep4P(a1-3)LDManHep4P(a1-5)[Kdo(a2-4)]Kdo
+Neu5Ac9Ac(a2-8)Neu5Ac(a2-3)Gal(b1-4)Glc1Cer
+QuiN(b1-4)[Fuc(a1-2)GalA(b1-3)GlcOPEtNN(b1-3)]Gal(a1-4)L-QuiN(a1-3)QuiN
+ManOAc(a1-3)Glc(b1-4)[Gal(a1-3)]Man(a1-3)ManOAc
+Glc(a1-3)GlcNAc(b1-4)GlcN2AlaAc(a1-5)Kdo
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Gal(a1-3)]Rha(b1-4)Glc
+Glc2S(b1-4)[Glc(a1-3)[Glc2S(b1-6)]Glc2S(b1-6)Glc2S(b1-6)[Gal2S(b1-2)]Glc(b1-6)Glc2S(b1-6)[Glc(a1-3)]Glc2S(b1-6)Glc2S(b1-6)]Glc2S(b1-4)Glc2S(b1-4)[Man2S(a1-6)Glc2S(b1-6)[Glc(a1-3)]Glc2S(b1-6)Glc2S(b1-6)Glc2S(b1-6)[Glc(a1-3)]Glc2S(b1-6)Glc2S(b1-6)Glc2S(b1-6)]Glc2S(b1-4)Glc2S
+Fuc(a1-2)Gal(b1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-4)GlcNAc
+Gal(b1-3)GalNAc(b1-4)GlcA(b1-3)GalNAc
+Man(a1-3)Man(a1-3)QuiNAc(b1-4)Glc(b1-4)Kdo
+Gal(a1-6)[Fuc(a1-4)]Gal(a1-6)Glc(b1-4)[Gal(a1-2)]Man(a1-3)Glc(b1-3)Glc(b1-6)Gal(a1-6)Glc(b1-6)Gal
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Xyl(a1-3)GlcA
+Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)[Fruf(b2-6)]Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)[Fruf(b2-6)]Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)[Fruf(b2-6)]Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)[Fruf(b2-6)]Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Fruf(b2-1)Glc(a1-6)Man(b1-4)Glc
+Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)[Fuc(a1-2)]Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc
+Neu5Ac(a2-3)Gal(b1-4)GlcNAc6S
+Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Glc(a1-6)Glc(a1-6)Glc(a1-6)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc
+D-Fuc(a1-2)Rha(b1-3)D-Fuc
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+Rha(a1-2)Gal(a1-3)Rha(a1-2)Rha(a1-2)Gal(a1-3)Rha1Prop
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+GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)GalNAc
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+LDManHep(a1-3)[Glc(b1-4)]LDManHep6P(a1-5)[Kdo(a2-4)]Kdo
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+Neu4Me5Ac9Me(a2-3)Gal(b1-4)Glc
+Fuc(a1-2)[GalNAcOMe(a1-3)]Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-2)[GalNAcOMe(a1-3)]Gal(b1-3)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)][Fuc(a1-6)]GlcNAc
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+Rha(a1-3)[GlcA(b1-2)]Rha(a1-2)Rha(a1-3)Rha
+Glc(a1-5)Kdo2Me
+Xyl2Ac(b1-4)All2Ac3Ac
+Kdn(a2-3)Gal(b1-4)GlcNAc
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+QuiN(b1-6)[Glc(a1-4)]Glc(a1-4)GlcA(b1-3)GlcNAc(a1-2)QuiN
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+LDManHep(a1-3)LDManHep(a1-5)[Kdo(a2-4)]Kdo
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+GalNAc(a1-4)GlcA6Ac(b1-3)D-FucNAc(a1-3)QuiNAc
+Glc2Vac6AcNMe(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)[FucOMe(a1-6)]GlcNAc
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+Glc(b1-4)[Glc(b1-6)]Glc(b1-4)Glc(b1-4)Glc
+LDManHep(a1-4)[GalOAc(a1-7)]Kdo
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+GlcN2S6S(b1-4)GlcA(b1-4)GlcN3S(a1-4)IdoA2S(a1-4)GlcN2S
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+D-Apif(b1-2)GlcA
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+ManNAcA(b1-4)FucNAc3Ac(a1-3)D-FucNAc(b1-4)ManNAcA
+Gal(a1-3)Gal(a1-3)[Ara(b1-1)]Gal
+GalNAcAN(a1-4)GalNAcA(a1-3)GlcNAc(a1-3)QuiNGlyAc(b1-4)GalNAcAN
+Par(a1-2)[D-Rha(a1-3)]D-Rha(a1-3)[Par(a1-4)]Man(a1-3)1dEry-ol
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+Glc(b1-4)[Glc(b1-6)]Glc(a1-3)Rha
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+Gal(a1-3)[Gal(a1-6)]Gal(b1-3)GalNAc
+Gal(a1-2)Ribf(b1-4)Gal
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+Oli4Me(a1-3)Fuc2Me(a1-3)Rha2Me(a1-3)Rha2Me4Me
+Gal4S(b1-3)[Fuc(a1-4)]GlcNAc(b1-2)Man
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+Man(a1-3)D-Alt1Me
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+GlcN(b1-3)Man(a1-5)[GalA(a1-5)Kdo(a2-4)]Kdo(a2-6)GlcN4P(b1-6)GlcN1P
+Man(a1-3)Man(b1-4)Glc1Cer
+GlcN2S(a1-4)GlcA
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+GlcNAc3Lac(a1-3)L-QuiNAc(a1-3)GlcNAc(a1-6)GlcNAc3Lac
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+Man(a1-2)Man(a1-4)Gal(b1-6)Man
+Ribf(a1-1)Ribf
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+3,6-Anhydro-L-Gal(a1-3)Gal(b1-4)3,6-Anhydro-L-Gal(a1-3)Gal(b1-4)3,6-Anhydro-L-Gal(a1-3)Gul
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+Rha(a1-3)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcA1Cer
+Gal(b1-4)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-3)[Neu5Ac(a2-6)]GalNAc
+Galf(b1-5)Galf(b1-5)Galf(b1-5)Galf(b1-5)Galf(b1-5)Gal(b1-6)Man
+IdoA(a1-4)GlcNAc6S(a1-4)GlcA(b1-4)GlcN3S
+Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc-onic
+ManOMe(a1-3)FucOAcOMe(a1-3)D-RhaOMe(a1-3)D-RhaOMe
+Gal(a1-3)Glc(a1-5)Kdo
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+Glc(b1-3)Gal(b1-2)[Xyl(b1-3)]Glc(b1-4)Gal
+Glc(b1-4)Glc(b1-2)Man(a1-3)Gal(b1-4)Glc
+Glc(a1-4)GalNAc(b1-4)[ManOP(a1-2)Man(a1-6)]Man(a1-4)GlcN
+LDIdoHep(a1-4)Gal(a1-3)LDIdoHep
+Gal3P4P(b1-4)Glc
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Neu5Ac(a2-3)Gal6S(b1-4)GlcNAc(b1-3)Gal(b1-3)[Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-6)]GalNAc
+GlcOPN(a1-3)LDManHep(a1-5)KdoOP
+Man(a1-3)[Xyl(b1-2)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAc
+Kdo(b2-7)Kdo(b2-7)Kdo
+Rha(b1-4)Glc(b1-4)Gal
+Man(a1-2)Man(a1-2)Man(a1-5)D-Araf(b1-2)D-Araf(a1-3)[Man(a1-2)Man(a1-5)D-Araf(b1-2)D-Araf(a1-5)]D-Araf(a1-5)D-Ara-ol
+Gal6P(a1-2)Glc
+GlcN2Dco4P(b1-6)GlcN1P2Dco3Dco
+Man3Me(a1-2)Man3Me(a1-2)Man3Me
+Glc(b1-4)GlcNAc(a1-3)ManNAcA(b1-4)Glc
+Gal(a1-4)[Man(b1-2)]Glc(a1-6)Gal
+GlcA3S(b1-3)Gal(b1-3)[Neu5Ac(a2-6)]Gal(b1-4)Xyl
+Gal(b1-4)[Fuc(a1-3)]GlcNAc6S(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+GlcNAc(b1-2)L-6dGulHep(a1-2)D-3dThrPen(b1-3)L-6dGulHepOMe
+ManA(b1-4)GulA(a1-4)ManA(b1-4)ManA(b1-4)GulA(a1-4)ManA(b1-4)[Fuc(a1-3)]ManA(b1-4)ManA
+Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)]Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)GlcNAc(b1-3)]Gal(b1-4)Glc-ol
+Man(a1-2)Man(a1-3)Man(a1-2)Man(a1-2)Man(a1-2)Man(a1-6)[Man(a1-2)Man(a1-3)]Man(a1-4)GlcNAcA3NAc(b1-4)GlcNAc3NAc
+Neu5Ac(a2-8)Neu5Ac(a2-3)Gal(b1-3)GalNAc(b1-4)Gal
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+Xyl2Me(b1-2)Araf
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+GlcN(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)[Fuc2Me(a1-6)]GlcNAc
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+L-Oli3CNMe(a1-2)Glc
+GlcNMe1VacOCm(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)GlcNAcOS
+GlcN2Dco3Myr3P(b1-6)GlcN1P2Dco3Myr
+Man(b1-4)Rha(a1-3)Gal6Ac(a1-6)Man
+GalNAc(b1-2)Gal
+GalNAc(a1-3)[D-Fuc(a1-2)]Gal(b1-4)GlcNAc
+GlcNAc1PamOAcOCm(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)[FucOMe(a1-6)]GlcNAc
+GlcN2S3S6S(a1-4)IdoA2S(a1-4)GlcN2S
+Glc(a1-3)Rha(a1-2)Rha(a1-3)Rha2Ac(a1-3)GlcNAc
+Neu5Gc(a2-3)Gal(a1-3)Gal(b1-3)GalNAc
+LDManHep(a1-2)LDManHep(a1-3)[DDManHep(a1-6)Glc(b1-4)]LDManHep
+Glc(a1-4)Glc(a1-4)D-Alt
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+Rha3Ac(a1-3)Glc
+Kdn(a2-8)Neu5Gc(a2-8)Neu5Gc(a2-6)Glc1Cer
+D-Ara(b1-2)[Gal(a1-3)]Gal
+Glc(a1-3)Glc(a1-6)Glc(a1-3)[Glc(a1-3)Glc(a1-6)Glc(a1-6)]Glc
+GlcNAc(a1-4)ManNAcA3NAc(b1-3)FucNAc4NMe(b1-6)[LDManHep(a1-4)]GlcN(a1-4)[GalAN(a1-6)]Glc(b1-4)[GlcA(a1-2)[GlcN(a1-7)]LDManHep(a1-3)]LDManHep(a1-5)Kdo4PPEtN
+GlcN(b1-3)Gal(b1-4)Glc1Cer
+Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+Glc(b1-3)FucNAc(a1-3)D-FucNAc(b1-2)Rha(a1-6)Glc(a1-4)[Glc(a1-6)Glc(b1-3)]GalNAla(a1-3)LDManHepOCm(a1-3)LDManHep(a1-5)Kdo
+L-GulNAcA6Gly(a1-2)1dEry-ol
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+QuiNAc(b1-4)GalA6N(a1-4)GalNAc(a1-4)GalA(b1-3)GlcNAc(a1-2)QuiNAc
+GlcNAc(b1-2)Rha(a1-2)Rha(b1-3)Rha(a1-3)GlcNAc
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+Man(a1-3)Man(a1-3)Glc(a1-4)Glc(a1-5)[GalAOP(a1-4)]Kdo
+Gal(a1-2)[Par(a1-3)]Man(a1-4)Rha(a1-3)Gal(a1-2)[Par(a1-3)]Man(a1-4)Rha(a1-3)Gal(a1-2)[Par(a1-3)]Man(a1-4)Rha
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+Kdo(a2-2)Ribf(b1-4)Gal(a1-2)Ribf(b1-4)Gal(a1-2)Ribf(b1-3)Gal
+GalN(a1-3)Gal(b1-3)GlcN
+GalOS(b1-4)GlcNAc(b1-6)[GalOS(b1-3)]GalNAc
+Gal(a1-3)Gal(b1-4)Glc1N
+GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man6Aep(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Rha(a1-6)Glc
+GlcNAc(a1-3)GalNAc(a1-3)[D-Fuc(a1-2)]Gal(b1-3)[GlcNAc(a1-3)GalNAc(a1-3)[D-Fuc(a1-2)]Gal(b1-4)GlcNAc6S(b1-6)]GalNAc
+Rha(a1-4)GalA(b1-2)Rha(a1-4)GalA(b1-2)Rha(a1-4)GalA
+Gal(a1-2)Gal(a1-2)Glc(a1-3)Glc(a1-3)LDManHep(a1-3)LDManHep
+Kdo5P(a2-6)GlcNAc
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+Gal(a1-6)Gal(b1-6)Gal1Cer
+Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc-ol
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+Fuc(a1-2)Gal(b1-3)[Gal(b1-6)]Gal(a1-3)GalNAc(b1-4)GlcNAc(b1-3)Man(b1-4)Glc
+GlcN(a1-6)GlcN
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+GlcA(b1-3)GalNAc(b1-4)GlcA(b1-3)GalNAc(b1-4)GlcA(b1-3)GalNAc
+GalNAc(b1-4)Gal(b1-4)GlcNAc(b1-3)[Neu5Ac(a2-6)]GalNAc
+Gal(a1-2)Gal(a1-3)DDManHep(b1-3)Glc(a1-2)Glc1Cer
+ManNAcA(b1-6)Glc(a1-4)ManNAcA
+Abe1PP(a1-5)Ribf1N
+Man(a1-3)[Galf(a1-4)]Man
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+Xyl(b1-3)L-Gal(b1-2)Ara
+Qui(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc
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+Man6S(a1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc
+Man(a1-6)GlcNAc1N
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+Neu5Ac(a2-3)Gal(b1-3)GlcNAc(b1-6)Gal
+Neu5Ac8S(a2-8)Neu5Ac(a2-3)Glc
+Qui4NAc(b1-2)Man(a1-4)Gal(b1-3)GlcNAc
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)Man(b1-4)GlcNAc(b1-4)GlcNAc
+GlcNAc(b1-6)Gal1P(a1-4)GlcNAc
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+ManNAc(b1-2)Rha(a1-2)Rha(a1-2)Gal(a1-3)GlcNAc
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+GlcOP(b1-2)LDManHep(a1-2)LDManHepOPEtN(a1-3)[Glc(b1-4)]LDManHep(a1-5)KdoOP
+QuiNBut(b1-2)Ribf(b1-4)Gal(b1-3)D-FucNAc(a1-2)QuiNBut
+Rha(a1-2)Rha(a1-3)[Glc(a1-4)]Rha(a1-3)GlcNAc(b1-2)Rha(a1-2)Rha(a1-3)[Glc(a1-4)]Rha(a1-3)GlcNAc(b1-2)Rha
+Gal(b1-7)LDManHep(a1-7)LDManHep(a1-3)[Glc(b1-4)]LDManHep(a1-5)[KoOPEtN(a2-4)]Kdo
+Man(b1-2)Man(b1-2)Man(a1-2)Man
+Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc
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+Rha(a1-2)Rha(a1-2)Gal(a1-3)GlcNAc(b1-2)Rha
+Glc(a1-3)[Glc(a1-4)]Gal
+GalNAc(a1-3)[Fuc(a1-2)]Gal6F
+Ara(b1-6)Gal(b1-4)Neu5Gc(a2-3)Gal(b1-4)Glc
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+Kdo(a2-6)GlcN(a1-4)GalA(a1-3)[GlcN(a1-4)GalA(a1-7)Hep(a1-7)][Glc(b1-2)]Hep(a1-3)[Gal(b1-4)]Hep(a1-5)[Kdo(a2-4)]Kdo
+Glc(a1-2)Rha(a1-2)Rha(a1-2)Gal(a1-3)GalNAc
+Neu5Gc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)]GalNAc
+GlcNAc(b1-2)GlcA4Me6N
+Glc(b1-4)[RhaOPGro(a1-3)][Glc(b1-6)]Glc(a1-3)RhaOAc(b1-4)Glc
+Glc(a1-3)Glc(a1-4)Glc-ol
+L-GalNAcA(a1-3)D-FucNAc(a1-4)GlcNAcAN(b1-4)L-GalNAcA
+Rha(a1-4)GalNAcAN(a1-4)GalNFoA(a1-3)QuiNAc(a1-3)Rha
+Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Neu5Ac(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc
+Rha(a1-2)Gal(b1-4)GlcA
+GlcN(b1-6)GlcN(b1-6)GlcN(b1-6)GlcN(b1-6)GlcN(b1-6)GlcN(b1-6)GlcN
+Gal3Me(b1-6)Gal3Me(b1-3)[Gal3Me(b1-6)]GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal3Me(b1-6)Gal3Me(b1-3)[Gal3Me(b1-6)]GalNAc(b1-4)GlcNAc(b1-2)Man(a1-6)][Xylf(b1-2)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+L-GulNAc(a1-3)QuiNAc
+GlcN2S6S(a1-4)IdoA(a1-4)GlcN2S3S6S(a1-4)IdoA(a1-4)GlcN2S6S
+Glc(b1-2)[Gal(b1-3)]LDManHep(a1-3)[Glc(b1-4)]LDManHepOP(a1-5)[Kdo(a2-4)]Kdo
+Gal(b1-3)[GlcNAc(b1-6)]GalNAc(a1-3)GalNAc
+Neu4Ac5Gc(a2-3)Gal(b1-4)Glc1Cer
+D-FucNAc(a1-4)GalNAc(a1-3)GalNAc
+QuiNAc(a1-8)8eLeg5Ac7Ac(a2-3)FucNAm(a1-3)QuiNAc
+Gal(b1-4)GlcNAc(b1-4)Man(a1-3)[Gal(b1-4)GlcNAc(b1-6)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
+GlcNAc(a1-2)Glc(a1-2)Glc(a1-3)[Gal(a1-6)]Glc
+Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)Glc
+QuiNAc4NAc(b1-3)GlcNAmA(b1-3)QuiNAc4NAc
+Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcN
+GlcNAc(b1-4)Rha3Ac(a1-3)GlcNAc
+Fuc(a1-3)[HexNAc(b1-4)]GlcNAc-ol
+Gal(b1-6)Glc(a1-2)[Glc(a1-2)Galf(b1-6)]Galf(b1-6)Galf(b1-6)[Gal(b1-4)GlcA(a1-2)]Galf
+Man(a1-3)GlcNAc1N
+GalNAc(b1-4)Gal(b1-3)D-FucNAcN(b1-4)GalNAc
+Glc(b1-2)D-Fuc3NBut4Ac(b1-6)GlcNAc(a1-4)[Glc(b1-3)]GalNAc(a1-3)GlcNAc(b1-2)Glc
+GlcNAc1Ole6Ac(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)[FucOMe(a1-6)]GlcNAc
+Leg5Am7Ac(a2-4)Leg5Am7Ac(a2-4)Leg5Am7Ac
+GlcNAc(b1-2)Galf(b1-6)GlcNAc1P
+GalASer(b1-3)GlcNAc(b1-2)RhaNAc(a1-4)GlcA(b1-3)GalASer
+Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc1Cer
+Rha(b1-4)Glc(b1-3)Gal(a1-3)[Gal(a1-4)]Rha2Ac(b1-4)Rha(a1-2)D-Ara1P-ol(1-3)Rha
+Fuc(a1-4)GlcNAc(b1-6)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc
+LDManHep(a1-7)[Glc(a1-3)]LDManHep(a1-3)LDManHep
+Galf(b1-6)GalNAc(b1-3)GalOP(a1-6)GalNAc(a1-3)Rha(b1-4)Glc(b1-6)Galf
+Gal(b1-4)[D-Fuc(a1-3)]Glc(b1-3)Gal(b1-4)Glc
+L-Oli3CMe(a1-3)Oli(b1-3)Oli
+Kdn(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Neu5Ac(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Neu5Gc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Rha(a1-2)GlcA(b1-2)GlcA
+Neu5Ac(a2-3)[Gal(b1-4)]Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Neu5Ac(a2-3)Gal(b1-3)]GalNAc
+Man(a1-2)Man(a1-3)[Man(a1-6)]Man(a1-6)[Man(a1-2)Man(a1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcOP
+Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)GlcNAc(b1-2)ManOMe(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+Glc1S(b1-4)Glc
+Gal3S4S(b1-4)IdoA2S
+ManNAcA(b1-4)ManNAcA(b1-3)GlcNAc(b1-3)ManNAcA
+GlcNAc6S(b1-2)Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
+GalNAc(b1-3)Gal(b1-3)[D-Fuc(a1-3)GlcNAc(b1-6)]GalNAc
+Gal(a1-6)Gal(a1-6)[Fuc(a1-2)][Glc(b1-4)]Glc(a1-6)Gal
+Fruf1S3S4S6S(b2-1)Glc2S3S4S6S
+Neu5Ac(a2-3)Gal(b1-3)[Neu5Ac(a2-6)]GlcNAc(b1-3)Gal(b1-4)Glc-ol
diff --git a/datasets/glyles.txt b/datasets/glyles.txt
new file mode 100644
index 0000000..504412a
--- /dev/null
+++ b/datasets/glyles.txt
@@ -0,0 +1,263 @@
+ 
+Glc
+Man
+Gal
+Gul
+Alt
+All
+Tal
+Ido
+Qui
+Rha
+Fuc
+Oli
+Tyv 
+Abe
+Par
+Dig
+Col
+Ara
+Lyx
+Xyl
+Rib
+Kdn
+Neu
+Sia
+Pse
+Leg
+Aci
+Bac
+Kdo
+Dha
+Mur
+Api
+Fru
+Tag
+Sor
+Psi
+Ery
+Thre
+Rul
+Xul
+Unk
+Ace
+Aco
+Asc
+Fus
+Ins
+Ko
+Pau
+Per
+Sed
+Sug
+Vio
+Xlu
+Yer
+Erwiniose
+C
+N
+O
+P
+Ceroplastic
+Lacceroic
+3oxoMyr
+Psyllic
+Geddic
+Alloc
+Allyl
+Phthi
+TBDPS
+aLnn
+ClAc
+Coum
+eSte
+Fmoc
+gLnn
+HSer
+Pico
+Prop
+TIPS
+triN
+Troc
+Ach
+Aep
+Ala
+Ang
+Asp
+Beh
+Boc
+But
+Cbz
+Cct
+Cer
+Cet
+Cho
+cHx
+Cin
+Crt
+Cys
+DCA
+Dce
+Dco
+Dec
+Dhp
+DMT
+Dod
+Etg
+Etn
+EtN
+Fer
+Glu
+Gly
+Gro
+Hpo
+Hse
+Hxo
+Lac
+Lau
+Leu
+Lev
+Lin
+Lys
+Mal
+Mar
+Mel
+MMT
+MOM
+Mon
+Myr
+NAP
+Ner
+Nno
+Non
+Oco
+Ole
+oNB
+Orn
+Pam
+Pic
+Piv
+PMB
+PMP
+Poc
+Pro
+Pyr
+Ser
+Sin
+Ste
+TBS
+tBu
+TCA
+TES
+TFA
+THP
+Thr
+Tig
+TMS
+Udo
+Ulo
+ulo
+Und
+Vac
+Ac
+Al
+Am
+Bn
+Br
+Bu
+Bz
+Cl
+Cm
+DD
+DL
+en
+Et
+Fo
+Gc
+Hp
+Hx
+LD
+LL
+Me
+N3
+Nn
+Ns
+Oc
+Pe
+Ph
+Pp
+Pr
+Tf
+Tr
+Ts
+Vl
+A
+F
+I
+S
+Anhydro
+0d
+D
+L
+ulosaric
+ulosonic
+uronic
+onic
+aric
+ol
+Hep
+Hex
+Oct
+Pen
+Suc
+a
+b
+p
+f
+0
+1
+2
+3
+4
+5
+6
+7
+8
+9
+10
+11
+12
+13
+14
+15
+16
+17
+18
+19
+20
+21
+22
+23
+24
+25
+26
+27
+28
+29
+,
+-
+(
+)
+[
+]
+{
+}
+a
+ai
+c
+d
+e
+t
+=
+i
+?
diff --git a/datasets/lib.txt b/datasets/lib.txt
new file mode 100644
index 0000000..8ff54cc
--- /dev/null
+++ b/datasets/lib.txt
@@ -0,0 +1,2366 @@
+0dHex
+1,4-Anhydro-Gal-ol
+1,5-Anhydro-D-AltNAc-ol
+1,5-Anhydro-D-FucN-ol
+1,5-Anhydro-D-Rha4NAc-ol
+1,5-Anhydro-Gal-ol
+1,5-Anhydro-GalNAc-ol
+1,5-Anhydro-Glc-ol
+1,5-Anhydro-Glc-onic
+1,5-Anhydro-GlcN2S-ol
+1,5-Anhydro-GlcN2S6S-ol
+1,5-Anhydro-GlcNAc-ol
+1,5-Anhydro-GlcNAc-onic
+1,5-Anhydro-Man-ol
+1,5-Anhydro-ManNAc-ol
+1,5-Anhydro-Xyl-ol
+1,5-Anhydro-Xyl2F-ol
+1-1
+1-2
+1-3
+1-4
+1-5
+1-6
+1-?
+1dAlt-ol
+1dEry-ol
+2,3-Anhydro-All
+2,3-Anhydro-Man
+2,3-Anhydro-Rib
+2,5-Anhydro-D-Alt-ol
+2,5-Anhydro-D-Alt3S-ol
+2,5-Anhydro-D-Tal
+2,5-Anhydro-Glc
+2,5-Anhydro-L-Man-ol
+2,5-Anhydro-Man
+2,5-Anhydro-Man-ol
+2,5-Anhydro-Man1S-ol
+2,5-Anhydro-Man3S-ol
+2,5-Anhydro-Man6S
+2,5-Anhydro-Tal-ol
+2,5-Anhydro-Tal6P
+2,6-Anhydro-Glc5NAc-ol
+2,6-Anhydro-L-Gul-ol
+2,6-Anhydro-L-Gul-onic
+2,6-Anhydro-Man-ol
+2,6-Anhydro-Tal5NAc-ol
+2,7-Anhydro-Kdo
+2,7-Anhydro-Kdof
+2-3
+2-4
+2-5
+2-6
+3,6-Anhydro-Fruf
+3,6-Anhydro-Gal
+3,6-Anhydro-Gal2S
+3,6-Anhydro-Glc
+3,6-Anhydro-L-Gal
+3,6-Anhydro-L-Gal2Me
+3-1
+3-5
+3-Anhydro-Gal
+3-Anhydro-Gal2S
+3dFuc
+3dGal
+3dLyxHep-ulosaric
+4,7-Anhydro-Kdo
+4,7-Anhydro-KdoOPEtN
+4,8-Anhydro-Kdo
+4-1
+4-5
+4d8dNeu5Ac
+4dAraHex
+4dEry-ol
+4dFuc
+4dGal
+4dNeu5Ac
+4dThrHexNAcA4en
+4eLeg5Ac7Ac
+5-1
+5-2
+5-3
+5-4
+5-5
+5-6
+5dAraf
+5dAraf3Me
+5dLyxf3CFo
+5dLyxf3CMe
+5dPenf3CFo
+6-1
+6-3
+6-4
+6dAll
+6dAll3Me
+6dAlt
+6dAltNAc
+6dAltNAc1PP4N
+6dAltNAc1PP4NAc
+6dAltNAc3PCho
+6dAltOAc
+6dAltf
+6dAltfOAc
+6dFruf
+6dGal
+6dGalNAc
+6dGul
+6dHex
+6dHexN
+6dHexNAc4NAc
+6dManHep
+6dTal
+6dTal1PP
+6dTal2Ac
+6dTal2Ac3Ac
+6dTal2Ac3Ac4Ac
+6dTal2Ac3Me
+6dTal2Ac3Me4Ac
+6dTal2Ac4Ac
+6dTal2Me
+6dTal2Me4Ac
+6dTal3Me
+6dTal4Ac
+6dTalNAc
+6dTalNAc1PP
+6dTalNAc4Ac
+6dTalNAcOAc
+6dTalOAc
+6dTalOAcOAc
+6dTalOAcOMe
+6dTalOMe
+6dTalOMe-ol
+6dTalf
+7dNeu5Ac
+8dNeu5Ac
+8eAci5Ac7Ac
+8eLeg
+8eLeg5Ac7Ac
+8eLeg5Ac7Ac8Ac
+8eLeg5Ac7AcGro
+8eLeg5But7Ac
+8eLegNAcNBut
+9dNeu5Ac
+?1-2
+?1-3
+?1-4
+?1-6
+?1-?
+?2-?
+Abe
+Abe1PP
+Abe2Ac
+AbeOAc
+AcefA
+Aci5Ac7Ac
+AcoNAc
+All
+All-ol
+All1S2S3S4S
+All2Ac3Ac
+All2S3S4S
+All3Ac
+All6Ac
+AllN
+AllN1P
+AllNAc
+AllNAc6Me
+AllOMe
+Alt
+AltA
+AltA2N
+AltA2S
+AltAN
+AltNAc
+AltNAcA
+AltNAcA1Prop
+Altf
+AltfOAc
+Api
+ApiOAc
+ApiOMe-ol
+Apif
+Ara
+Ara-ol
+Ara1Cer2Ac
+Ara1Me
+Ara1N4P
+Ara1P4N
+Ara1PP
+Ara1PP2NAc
+Ara1PP4N
+Ara1PP4NFo
+Ara2Ac
+Ara2Ac3Ac
+Ara2Ac3Ac4Ac
+Ara2Ac4Ac
+Ara2Ac5P-ol
+Ara2Me
+Ara2P
+Ara3Ac
+Ara3Ac4Ac
+Ara3Me
+Ara3N
+Ara4Ac
+Ara4N
+Ara4S
+AraN
+AraNMeOMe
+AraOAc
+AraOAcOP-ol
+AraOMe
+AraOPN
+Araf
+Araf1Coum
+Araf1Fer
+Araf1Gro
+Araf1P
+Araf1PP
+Araf2Ac3Ac5Ac
+Araf2Me
+Araf3Me
+Araf3S
+ArafGro
+ArafOMe
+Asc
+Bac
+Bac1N2Ac4Ac
+Bac1PP2Ac
+Bac1PP2Ac4Ac
+Bac2Ac
+Bac2Ac4Ac
+Col
+Col1PP
+D-2,7-Anhydro-3dManHep-ulosonic
+D-2dAraHex
+D-2dAraHexA
+D-3dAraHep-ulosonic
+D-3dLyxHep-ulosaric
+D-3dLyxHep2Me-ulosaric
+D-3dManHep-ulosonic
+D-3dThrHex-ulosonic
+D-3dThrPen
+D-3dXylHexOMe
+D-4dAraHex
+D-4dEryHexOAcN4en
+D-4dLyxHep
+D-4dLyxHep1Me
+D-4dLyxHex
+D-4dLyxHexOMe
+D-4dThrHexA4en
+D-4dThrHexAN4en
+D-4dThrHexOAcN4en
+D-4dXylHex
+D-6dAllOMe
+D-6dAlt
+D-6dAltHep
+D-6dAltHep3Me
+D-6dAltHepf
+D-6dAraHex
+D-6dAraHexN
+D-6dAraHexNAc
+D-6dAraHexOMe
+D-6dIdoHep
+D-6dLyxHexOMe
+D-6dManHep
+D-6dManHep1P
+D-6dManHep2Ac
+D-6dManHep3Ac
+D-6dManHepOAc
+D-6dManHepOP
+D-6dTal
+D-6dTal-ol
+D-6dTal2Ac
+D-6dTal2Ac3Ac
+D-6dTal2Ac4Ac
+D-6dTal3Me
+D-6dTal3Me-ol
+D-6dTal4Ac
+D-6dTalHep
+D-6dTalOAc
+D-6dTalOAcOMe
+D-6dTalOMe
+D-6dXylHex
+D-6dXylHexN4Ulo
+D-6dXylHexNAc4Ulo
+D-6dXylHexOMe
+D-7dLyxOct-ulosonic
+D-9dThrAltNon-onic
+D-All6Ac
+D-AllN
+D-Alt
+D-Alt1Me
+D-Alt2S3S4S
+D-Alt3S4S
+D-Apif
+D-Apif1PP
+D-Apif2Ac
+D-ApifOAc
+D-ApifOMe
+D-Ara
+D-Ara-aric
+D-Ara-ol
+D-Ara-onic
+D-Ara1P-ol
+D-Ara2S4S
+D-Ara4S
+D-Araf
+D-Araf1Me
+D-Araf2Ac3Ac5Ac
+D-ArafN
+D-Fuc
+D-Fuc-ol
+D-Fuc1CoumOMe
+D-Fuc1FerOMe
+D-Fuc1Gro
+D-Fuc1Gro3NBut
+D-Fuc2Ac
+D-Fuc2Ac3Me
+D-Fuc2Me
+D-Fuc2Me3Me
+D-Fuc2Me3Me4N
+D-Fuc2Me4NAc
+D-Fuc2S
+D-Fuc3Ac
+D-Fuc3Ac4Ac
+D-Fuc3Me
+D-Fuc3N
+D-Fuc3NAlaAc
+D-Fuc3NBut
+D-Fuc3NBut4Ac
+D-Fuc3NFo
+D-Fuc3NLac
+D-Fuc3S
+D-Fuc4Ac
+D-Fuc4CN
+D-Fuc4Me
+D-Fuc4N
+D-Fuc4NBut
+D-Fuc4NMe
+D-Fuc4S
+D-FucN
+D-FucNAc
+D-FucNAc-ol
+D-FucNAc1Prop4N
+D-FucNAc4Ac
+D-FucNAc4N
+D-FucNAc4NAc
+D-FucNAc4NMe
+D-FucNAcN
+D-FucNAcNMe
+D-FucNAcNMeN
+D-FucNAcOAc
+D-FucNAcOMe
+D-FucNAcOP
+D-FucNAcOPEtN
+D-FucNAlaAc
+D-FucNAsp
+D-FucNBut
+D-FucNFo
+D-FucNMeN
+D-FucNThrAc
+D-FucOAc
+D-FucOAcNGroA
+D-FucOAcOBut
+D-FucOAcOMe
+D-FucOBut
+D-FucOEtN
+D-FucOMe
+D-FucOMe1Coum
+D-FucOMe1Fer
+D-FucOMeOSin
+D-FucOS
+D-Fucf
+D-Fucf2Ac
+D-FucfNAc
+D-FucfOAc
+D-Ido
+D-IdoA
+D-IdoA2S
+D-IdoNAc
+D-IdoNAc1N
+D-Lyx
+D-Rha
+D-Rha-ol
+D-Rha1F4NFo
+D-Rha1PP
+D-Rha1PP4N
+D-Rha1PP4NAc
+D-Rha2Me
+D-Rha2Me3Me4NFo
+D-Rha2Me4Me
+D-Rha2Me4N
+D-Rha2Me4NBut
+D-Rha2Me4NFo
+D-Rha2S
+D-Rha3Ac4Ac
+D-Rha3CMe
+D-Rha3Me
+D-Rha3N
+D-Rha3P
+D-Rha4N
+D-Rha4NAc
+D-Rha4NBut
+D-Rha4NFo
+D-Rha4NLac
+D-RhaCMe
+D-RhaGro
+D-RhaN
+D-RhaNAc
+D-RhaNAc2Me3Me
+D-RhaNAcOAc
+D-RhaNFo
+D-RhaOMe
+D-RhaOP
+D-RhaOS
+D-Sor
+D-Sorf
+D-Sorf1Cl4Cl6Cl
+D-Thre-ol
+DDAltHep
+DDAltHep3Me
+DDAltHepOMe
+DDGalHep
+DDGalHepOMe
+DDGlcHep
+DDManHep
+DDManHep2PEtN7PEtN
+DDManHep3P6P
+DDManHep7PCho
+DDManHepOAc
+DDManHepOBut
+DDManHepOEtN
+DDManHepOMe
+DDManHepOP
+DDManHepOPEtN
+DDManHepOPGroA
+DDManHepPGroA
+DL-3,9dGalNon5NAc7NAc-ulosonic
+DL-3,9dGlcNon5NAm7Ac-ulosonic
+DL-3,9dGlcNon5NAm7Am-ulosonic
+DLGlcHep3Me6Me
+DLGlcHep6Me
+DLGlcHepOMe
+DLHepGlcOMe
+Dha
+Dig
+Dig3Ac
+Dig3Ac4Ac
+Dig3CMe
+Dig3Fo
+Dig3Fo4Fo
+Dig3Me
+Dig3Me4Me
+Dig4Ac
+Dig4Me
+DigOAc
+DigOMe
+Erwiniose
+Ery-ol
+Ery-onic
+Ery4Ac-ol
+EryOMe-onic
+Fru
+Fru3MeOPN
+Fruf
+Fruf1Ac
+Fruf1Ac4Ac
+Fruf1Cl4Br6Cl
+Fruf1Cl4Cl6Cl
+Fruf1Cl4F6Cl
+Fruf1Cl4I6Cl
+Fruf1Cl4Me6Cl
+Fruf1Cl6Cl
+Fruf1CoumOAcOBz
+Fruf1CoumOBz
+Fruf1Fer
+Fruf1FerOAc
+Fruf1FerOBz
+Fruf1S3S4S6S
+Fruf3Ac
+Fruf4Ac
+Fruf4Ac6Ac
+Fruf4F
+Fruf6Ac
+Fruf6Br
+Fruf6F
+Fruf6I
+Fruf6Lau
+Fruf6Me
+Fruf6N
+Fruf6NAc
+Fruf6P
+FrufOAc
+FrufOAc1Fer
+FrufOAcOBz1Coum
+FrufOBz1Coum
+FrufOBz1Fer
+FrufOBzOCin
+FrufOLau
+Fuc
+Fuc-ol
+Fuc1Cer
+Fuc1N
+Fuc1N4NBz7Et-ol
+Fuc1P
+Fuc1PP
+Fuc1PamOMe
+Fuc1VacOMe
+Fuc2Ac
+Fuc2Ac3Ac4Ac
+Fuc2Me
+Fuc2Me3Me
+Fuc2Me3Me4Ac
+Fuc2Me3Me4Me
+Fuc2Me3S
+Fuc2Me4Ac
+Fuc2Me4Me
+Fuc2Me4NAc
+Fuc2N
+Fuc2NAm
+Fuc2S
+Fuc2S3S
+Fuc2S3S4S
+Fuc2S4S
+Fuc3Ac
+Fuc3Ac4Ac
+Fuc3Me
+Fuc3Me4Me
+Fuc3N
+Fuc3NBut4Ac
+Fuc3NGly
+Fuc3NMe
+Fuc3S
+Fuc3S4S
+Fuc4Ac
+Fuc4Me
+Fuc4N
+Fuc4NBut
+Fuc4S
+FucN
+FucNAc
+FucNAc-ol
+FucNAc1PP
+FucNAc3Ac
+FucNAc4NMe
+FucNAcA
+FucNAcN
+FucNAcNMe
+FucNAcOAc
+FucNAcPGro
+FucNAla
+FucNAm
+FucNAm1Me
+FucNAm3Ac
+FucNBut
+FucNFo
+FucNProp
+FucNThrAc
+FucOAc
+FucOAcNAm
+FucOAcOMe
+FucOAcOSOMe
+FucOMe
+FucOMe1Pam
+FucOMe1Vac
+FucOPOMe
+FucOS
+FucOSOMe
+Fucf
+FucfNAc
+Fus5Ac
+Fus5Am
+Gal
+Gal-ol
+Gal-onic
+Gal1Cer
+Gal1Cer3S
+Gal1Cer6Aep
+Gal1Et
+Gal1EtN
+Gal1Gro
+Gal1Me
+Gal1Me3P
+Gal1P
+Gal1PGro
+Gal1PGro2Ac3Ac
+Gal1PP
+Gal1S
+Gal2Ac
+Gal2Ac3Ac
+Gal2Ac3Ac4Ac
+Gal2Ac3Ac4Ac6Ac
+Gal2Ac3Ac4Pyr
+Gal2Ac3Ac6Ac
+Gal2Ac4Ac
+Gal2Ac4Ac6Ac
+Gal2Ac4Pyr
+Gal2Et3S4S6Et
+Gal2Et4S6Et
+Gal2F
+Gal2F3Me
+Gal2Me
+Gal2Me3Me
+Gal2Me3Me4Me
+Gal2Me6Me
+Gal2N
+Gal2NAla
+Gal2PCho
+Gal2PGro
+Gal2PGro6MeOPN
+Gal2Pyr
+Gal2S
+Gal2S3S
+Gal2S3S4S6S
+Gal2S6S
+Gal3Ac
+Gal3Ac4Ac
+Gal3Ac4Ac6Ac
+Gal3Ac6Ac
+Gal3CN
+Gal3Cl6Cl
+Gal3F
+Gal3Lac
+Gal3Me
+Gal3Me4Cl6Cl
+Gal3Me4S
+Gal3Me6S
+Gal3N
+Gal3NAc
+Gal3P
+Gal3P4P
+Gal3PCho
+Gal3PCho6PEtN
+Gal3PGro
+Gal3Pyr
+Gal3Pyr4Pyr
+Gal3S
+Gal3S4S
+Gal3S4S6S
+Gal3S6Et
+Gal3S6S
+Gal4Ac
+Gal4Ac6Ac
+Gal4Cl
+Gal4F
+Gal4Me
+Gal4Me6Me
+Gal4N
+Gal4NAc
+Gal4NAc5NAc-onic
+Gal4P
+Gal4P6P
+Gal4PGro
+Gal4Pyr
+Gal4Pyr6Pyr
+Gal4S
+Gal4S6S
+Gal5NAc-ol
+Gal6Ac
+Gal6Aep
+Gal6F
+Gal6Lac-ol
+Gal6Me
+Gal6N
+Gal6NAc
+Gal6P
+Gal6PCho
+Gal6PChoOAc
+Gal6PEtN
+Gal6PGro
+Gal6Pyr
+Gal6S
+Gal6S-ol
+Gal6ulo
+GalA
+GalA-ol
+GalA1Me
+GalA1P
+GalA1P6N
+GalA1PP
+GalA1PP2NAc
+GalA1Prop
+GalA2Ac
+GalA2Ac3Ac
+GalA2Ac4Fo
+GalA2N
+GalA2NAc
+GalA2NAc3Ac
+GalA2NAc3Ac4Me
+GalA2NAc3Ac6N
+GalA2NAc3NAc6N
+GalA2NAc6Me
+GalA2NAc6N
+GalA2NFo
+GalA2S
+GalA2S3S
+GalA2S3S6Me
+GalA3Ac
+GalA3Ac4Ac6GroN
+GalA3Ac6Thr
+GalA3Me
+GalA3Me4Ac6Me
+GalA3P
+GalA4Ac
+GalA4Ac6Ser
+GalA4Me
+GalA4PEtN6Lys
+GalA6Ala
+GalA6CetLys
+GalA6Lys
+GalA6Me
+GalA6N
+GalA6Ser
+GalA6Thr
+GalA6ThrAc
+GalAAla
+GalAAlaLys
+GalAGroN
+GalALys
+GalAN
+GalANCys
+GalANCysAc
+GalANSerAc
+GalAOAc
+GalAOAcGroN
+GalAOAcNAm
+GalAOAcOLac
+GalAOAcOMe
+GalAOAcThr
+GalAOLac
+GalAOMe
+GalAOP
+GalAOPEtN
+GalAOPyr
+GalAP3
+GalASer
+GalAThr
+GalGro
+GalGroN
+GalN
+GalN-ol
+GalN1P
+GalN1PP
+GalN2Ac
+GalN2Ala
+GalN2Suc
+GalN2Suc-ol
+GalN6Me
+GalN6PEtN
+GalNAc
+GalNAc1EtN
+GalNAc1Me
+GalNAc1N
+GalNAc1P
+GalNAc1P3Ac
+GalNAc1PGro
+GalNAc1PP
+GalNAc1PP4S
+GalNAc1PP4S6S
+GalNAc3Ac
+GalNAc3Ac4Ac6Ac
+GalNAc3Ac4PGro
+GalNAc3Me
+GalNAc3P
+GalNAc3PCho
+GalNAc3PGro
+GalNAc3PGro6Ac
+GalNAc3PGroAN
+GalNAc3S
+GalNAc4Ac
+GalNAc4Ac6Ac
+GalNAc4Me
+GalNAc4PEtN
+GalNAc4PGro
+GalNAc4Pyr
+GalNAc4S
+GalNAc4S-ol
+GalNAc4S6S
+GalNAc6Ac
+GalNAc6Aep
+GalNAc6Me
+GalNAc6P
+GalNAc6PCho
+GalNAc6PEtN
+GalNAc6PGro
+GalNAc6S
+GalNAc6S-ol
+GalNAcA
+GalNAcA3Ac
+GalNAcA3Ac6N
+GalNAcA3Me
+GalNAcA3Myr
+GalNAcA4Ac
+GalNAcA6Ala
+GalNAcA6N
+GalNAcAAla
+GalNAcAN
+GalNAcAOAc
+GalNAcAOAcN
+GalNAcASer
+GalNAcGro
+GalNAcN
+GalNAcOAc
+GalNAcOAcOP
+GalNAcOMe
+GalNAcOP
+GalNAcOPCho
+GalNAcOPEtN
+GalNAcOPGro
+GalNAcOS
+GalNAla
+GalNAmA
+GalNBz
+GalNCysGly
+GalNFoA
+GalNFoA3Ac6N
+GalNFoA6N
+GalNFoAN
+GalNOAc
+GalNPCho
+GalOAc
+GalOAcN
+GalOAcNAla
+GalOAcNFoA
+GalOAcNFoAN
+GalOAcOMe
+GalOAcOP
+GalOAcOPGro
+GalOAcOPyr
+GalOAcPGro
+GalOFoAN
+GalOLac
+GalOLac-ol
+GalOMe
+GalOMeF
+GalOMeNAla
+GalOP
+GalOPCho
+GalOPEtN
+GalOPGro
+GalOPyr
+GalOS
+GalPCho
+GalcNAc6P
+Galf
+Galf1Bn
+Galf1Cer
+Galf1Et
+Galf1Me
+Galf1Oc
+Galf1P
+Galf1PP
+Galf2Ac
+Galf2Ac3Ac5Ac6Ac
+Galf3Ac
+Galf3Ac5Ac
+Galf3Ac6Ac
+Galf3Lac
+Galf4Pyr
+Galf5Ac6Ac
+Galf5P
+Galf5Pyr
+Galf6Ac
+Galf6P
+Galf6PCho
+Galf6PGro
+GalfGro
+GalfNAc
+GalfOAc
+GalfOAcGro
+GalfOAcOLac
+GalfOAcOPGro
+GalfOAcPGro
+GalfOP
+GalfOPCho
+GalfOPGro
+GalfPCho
+GalfPGro
+Glc
+Glc-ol
+Glc-onic
+Glc1
+Glc1Beh6Ac
+Glc1Cer
+Glc1Cer3S
+Glc1Cer6Aep
+Glc1Cer6S
+Glc1Coum
+Glc1Coum6Ac
+Glc1Et
+Glc1EtN
+Glc1EtN2Ac
+Glc1F
+Glc1Fer
+Glc1Fer6Ac
+Glc1Gro
+Glc1Gro6PEtN
+Glc1GroA
+Glc1Hxo
+Glc1Lin
+Glc1Lin6Ac
+Glc1Me
+Glc1Me2S3Me6S
+Glc1Me2S3S6S
+Glc1N
+Glc1N-ol
+Glc1N-onic
+Glc1N4Me
+Glc1NAc
+Glc1NGc
+Glc1Oco
+Glc1Ole
+Glc1Ole3Ac4Ac
+Glc1Ole3Ac4Ac6Ac
+Glc1Ole3P4P6Ac
+Glc1Ole3Pp4Pp
+Glc1Ole6Ac
+Glc1P
+Glc1P2Lau
+Glc1P2Lau3Dco
+Glc1P2Lau3Lau
+Glc1P2Myr3Myr
+Glc1P6Ac
+Glc1PEtN
+Glc1PGro
+Glc1PP
+Glc1PP3N
+Glc1PP6S
+Glc1Pam
+Glc1Pam6Ac
+Glc1PamOPN
+Glc1S
+Glc1S2Ac3Ac6Ac
+Glc1Ste6Ac
+Glc2Ac
+Glc2Ac3Ac
+Glc2Ac3Ac4Ac
+Glc2Ac3Ac4Ac6Ac
+Glc2Ac3Ac4PGro
+Glc2Ac3Ac5Ac6Ac
+Glc2Ac3Ac6Ac
+Glc2Ac3S
+Glc2Ac4Ac6Ac
+Glc2Ac4PGro
+Glc2Ac6Ac
+Glc2Ac6S
+Glc2Br
+Glc2Br3Ac4Ac6Br
+Glc2Et3S4S6Et
+Glc2Et4S6Et
+Glc2F
+Glc2Gc
+Glc2Gc3Gc4Gc
+Glc2GroA
+Glc2GroA6Ac
+Glc2Hxo6Ac
+Glc2Lau3Dco
+Glc2Lau3Dco4P
+Glc2Lau3Lau4P
+Glc2Me
+Glc2Me3Me4Me
+Glc2Me3Me4Me6Me
+Glc2Me3Me4Me6S
+Glc2Me3Me5Me6Me-ol
+Glc2Me3Me6Me
+Glc2Me3Me6S
+Glc2Me4Me
+Glc2Me6N
+Glc2Myr3Myr4P
+Glc2NAc3NAc-aric
+Glc2Oco3Ac
+Glc2Ole6AcNCm
+Glc2P
+Glc2P3P6Ac
+Glc2PGro
+Glc2Pam
+Glc2Pam6AcNCm
+Glc2Pp3Pp6Ac
+Glc2S
+Glc2S3Me4Me6S
+Glc2S3Me6S
+Glc2S3S
+Glc2S3S4Me6S
+Glc2S3S4S
+Glc2S3S4S6S
+Glc2S3S5S6S-onic
+Glc2S3S6S
+Glc2S4S
+Glc2S4S6S
+Glc2S6SN
+Glc2Ste
+Glc2Vac6AcNCm
+Glc2Vac6AcNMe
+Glc2Vac6AcNOCm
+Glc3Ac
+Glc3Ac4Ac
+Glc3Ac4Ac6Ac
+Glc3Ac4PGro
+Glc3Ac6Ac
+Glc3F
+Glc3Gc
+Glc3Gc4Gc
+Glc3Lac
+Glc3Me
+Glc3Me4Pyr
+Glc3Me6Me
+Glc3Me6S
+Glc3N
+Glc3NAc
+Glc3P
+Glc3P-ol
+Glc3P4P
+Glc3P4P6Ac
+Glc3PEtN6PEtN
+Glc3PGro
+Glc3S
+Glc3S-ol
+Glc3S4S
+Glc3S4S6S
+Glc3S6Et
+Glc3S6S
+Glc4Ac
+Glc4Ac6Ac
+Glc4Ac6PCho
+Glc4Lac
+Glc4Me
+Glc4Me6Me
+Glc4N
+Glc4P
+Glc4PEtN
+Glc4PGro
+Glc4Pyr
+Glc4S
+Glc4S6S
+Glc5CF
+Glc5N
+Glc5S
+Glc6Ac
+Glc6Ac-ol
+Glc6Ac1Coum
+Glc6Ac1Fer
+Glc6AcGro
+Glc6AcGroA
+Glc6AcNBut
+Glc6AcNCm2Ole
+Glc6AcNCm2Pam
+Glc6AcNCm2Vac
+Glc6AcNMe2Vac
+Glc6AcNMeOCm
+Glc6AcNMeOCm2Vac
+Glc6AcNOCm2Vac
+Glc6AcOP
+Glc6AcOPGro
+Glc6AcPGro
+Glc6F
+Glc6I
+Glc6Me
+Glc6Me-onic
+Glc6N
+Glc6NAc
+Glc6P
+Glc6P-ol
+Glc6PCho
+Glc6PEtN
+Glc6PGro
+Glc6PGroA
+Glc6PGroAc
+Glc6S
+Glc6S-ol
+Glc6Thr
+Glc6uloN
+GlcA
+GlcA1Cer
+GlcA1Gro
+GlcA1Me2NAc
+GlcA1P
+GlcA1PGroA6N
+GlcA1PP
+GlcA1PP2NAc
+GlcA1PP2NAc3N
+GlcA1PP2NAc3NAc
+GlcA2Ac
+GlcA2Ac3Ac
+GlcA2Me
+GlcA2Me3Me
+GlcA2Me4Me
+GlcA2N
+GlcA2NAc
+GlcA2NAc3N
+GlcA2NAc3N6N
+GlcA2NAc3NAc
+GlcA2NAc3NAc4Ac
+GlcA2NAc3NAc6N
+GlcA2NAc4Me
+GlcA2Pyr
+GlcA2Pyr3Pyr
+GlcA2S
+GlcA2S3Ac
+GlcA2S3Me
+GlcA2S3S
+GlcA3Ac
+GlcA3Fo4Me
+GlcA3Lac
+GlcA3N
+GlcA3NAc
+GlcA3S
+GlcA3S6Me
+GlcA4Ac
+GlcA4Ac6Ser
+GlcA4Lac
+GlcA4Me
+GlcA4Me6Me
+GlcA4Me6N
+GlcA6Ac
+GlcA6Ala
+GlcA6CetLys
+GlcA6EtN
+GlcA6Gly
+GlcA6GroN
+GlcA6Lys
+GlcA6Me
+GlcA6N
+GlcA6S
+GlcA6Ser
+GlcA6Thr
+GlcA6ThrAc
+GlcAAlaLys
+GlcAGlu
+GlcAGro
+GlcAGroN
+GlcALys
+GlcAN
+GlcAN2But3NBut
+GlcAOAc
+GlcAOBut
+GlcAOEtN
+GlcAOLac
+GlcAOMe
+GlcAOP
+GlcAOPyr
+GlcAOS
+GlcASer
+GlcCho
+GlcGro
+GlcGroA
+GlcN
+GlcN-ol
+GlcN-onic
+GlcN1Me2S6S
+GlcN1N
+GlcN1N2Gc
+GlcN1P
+GlcN1P2Ach3Myr
+GlcN1P2Dco3Dco
+GlcN1P2Dco3Myr
+GlcN1P2Lau
+GlcN1P2Lau3Dco
+GlcN1P2Lau3Lau
+GlcN1P2Mar3Pam
+GlcN1P2Myr
+GlcN1P2Myr3Dco
+GlcN1P2Myr3Lau
+GlcN1P2Myr3Myr
+GlcN1P2Pam
+GlcN1P2Pam3Myr
+GlcN1P2Ste3Myr
+GlcN1P2Ste3Pam
+GlcN1P2Ste3Ste
+GlcN1P3N
+GlcN1PEtN
+GlcN1PEtN2Myr3Myr
+GlcN1PEtN2Ste3Pam
+GlcN1PLau3Dco
+GlcN1PP
+GlcN1PP2Lau
+GlcN1PP2Myr3Myr
+GlcN1PPEtN2Dco3Dco
+GlcN1PPEtN2Lau3Lau
+GlcN1PPEtN2Myr3Lau
+GlcN1PPEtN2Myr3Myr
+GlcN1PPEtN2Myr3NMyr
+GlcN1PPEtN2Ste3NPam
+GlcN1Ste2Myr3N
+GlcN1Vac
+GlcN2Ac
+GlcN2Ach3Myr4P
+GlcN2Ach3NPam4P
+GlcN2Ala
+GlcN2Ala3Ac
+GlcN2AlaAc
+GlcN2But
+GlcN2But3NFoA6N
+GlcN2Dco3Dco4P
+GlcN2Dco3Dco4PPEtN
+GlcN2Dco3Myr3P
+GlcN2Dco4P
+GlcN2Fo
+GlcN2Gc
+GlcN2Gly
+GlcN2Lau3Dco4P
+GlcN2Lau3Lau4P
+GlcN2Lau3Myr4P
+GlcN2Lau4P
+GlcN2Mar
+GlcN2Mar3Myr
+GlcN2Mar3Pam
+GlcN2Me
+GlcN2Me2Ole3Cm
+GlcN2Me2Ole4Cm
+GlcN2Me2Ole6Cm
+GlcN2Me3Cm4Cm6Cm
+GlcN2Me3Me4P
+GlcN2Myr
+GlcN2Myr3Dco
+GlcN2Myr3Dco4P
+GlcN2Myr3Lau
+GlcN2Myr3Lau4P
+GlcN2Myr3Lau4PPEtN
+GlcN2Myr3Myr
+GlcN2Myr3Myr4P
+GlcN2Myr3Myr4PEtN
+GlcN2Myr3Myr4PP
+GlcN2Myr3Myr4PPEtN
+GlcN2Myr3NLau
+GlcN2Myr3NMyr
+GlcN2Myr3NMyr4P
+GlcN2Myr3NMyr4PPEtN
+GlcN2Myr3NPam
+GlcN2Myr3Pam4P
+GlcN2Myr4P
+GlcN2Ole
+GlcN2Ole6Ac
+GlcN2Pam
+GlcN2Pam-onic
+GlcN2Pam3Myr
+GlcN2Pam3Myr-onic
+GlcN2Pam3Myr4P
+GlcN2Pam3NMyr
+GlcN2Pam3NMyr4P
+GlcN2Pam4P
+GlcN2Pam6Ac
+GlcN2S
+GlcN2S-ol
+GlcN2S3Me4Me6S
+GlcN2S3S
+GlcN2S3S6S
+GlcN2S4Me6S
+GlcN2S6S
+GlcN2S6S-ol
+GlcN2Ste
+GlcN2Ste-onic
+GlcN2Ste3Myr
+GlcN2Ste3Myr-onic
+GlcN2Ste3NMyr
+GlcN2Ste3Pam4P
+GlcN2Suc
+GlcN2Vac
+GlcN2Vac6Ac
+GlcN3Ac4Ac6Ac
+GlcN3Lau4P
+GlcN3N
+GlcN3N4P
+GlcN3N4PP
+GlcN3N4PPEtN
+GlcN3NMyr
+GlcN3S
+GlcN3S6S
+GlcN4Ac
+GlcN4P
+GlcN4P6Ac
+GlcN4PEtN
+GlcN4PP
+GlcN4PPEtN
+GlcN6Ac
+GlcN6Aep
+GlcN6Me
+GlcN6N
+GlcN6P
+GlcN6PCho
+GlcN6PEtN
+GlcN6S
+GlcNAC-ol
+GlcNAc
+GlcNAc-ol
+GlcNAc-onic
+GlcNAc1Cer
+GlcNAc1EtN
+GlcNAc1Gro
+GlcNAc1Me
+GlcNAc1Me6S
+GlcNAc1N
+GlcNAc1N-ol
+GlcNAc1N3N
+GlcNAc1N5CN
+GlcNAc1N6Me
+GlcNAc1N6N
+GlcNAc1NAc
+GlcNAc1Ole6Ac
+GlcNAc1OleOAcOCm
+GlcNAc1P
+GlcNAc1P-ol
+GlcNAc1P4PCho
+GlcNAc1PGro
+GlcNAc1PP
+GlcNAc1PP3P
+GlcNAc1Pam6Ac
+GlcNAc1PamOAcOCm
+GlcNAc1Prop
+GlcNAc1S
+GlcNAc1Ser
+GlcNAc1Thr
+GlcNAc1VacOAc
+GlcNAc1VacOAcOCm
+GlcNAc2Ala
+GlcNAc2GroA6P
+GlcNAc3Ac
+GlcNAc3Ac4Ac
+GlcNAc3Ac4Ac6Ac
+GlcNAc3Ac4PGro
+GlcNAc3Ac4Pyr
+GlcNAc3Ac6Ac
+GlcNAc3Lac
+GlcNAc3Me
+GlcNAc3N
+GlcNAc3N4Ac6N
+GlcNAc3NAc
+GlcNAc3NAc4Ac
+GlcNAc3Prop
+GlcNAc3S
+GlcNAc3S-ol
+GlcNAc3S4S6S
+GlcNAc3S6S
+GlcNAc4Ac
+GlcNAc4Dhpa
+GlcNAc4F
+GlcNAc4Lac
+GlcNAc4Lac6Ac
+GlcNAc4Me
+GlcNAc4Me6Me
+GlcNAc4N
+GlcNAc4NAc
+GlcNAc4P
+GlcNAc4P-ol
+GlcNAc4PCho6P
+GlcNAc4PGro
+GlcNAc4Pyr
+GlcNAc6AEP
+GlcNAc6Ac
+GlcNAc6Aep
+GlcNAc6Cl
+GlcNAc6Gc
+GlcNAc6I
+GlcNAc6Me
+GlcNAc6N
+GlcNAc6NAc
+GlcNAc6P
+GlcNAc6P-ol
+GlcNAc6PCho
+GlcNAc6PEtN
+GlcNAc6PEtNAc
+GlcNAc6PEtg
+GlcNAc6PGro
+GlcNAc6Pyr
+GlcNAc6S
+GlcNAc6S-ol
+GlcNAcA
+GlcNAcA3Ac
+GlcNAcA3Ac4NAc
+GlcNAcA3N
+GlcNAcA3NAc
+GlcNAcA3NAc4Ac
+GlcNAcA3NAc6N
+GlcNAcA3NAlaFo6N
+GlcNAcA3NAm
+GlcNAcA3NBut
+GlcNAcA3NFoAla6N
+GlcNAcA3NSucAc6N
+GlcNAcA3S
+GlcNAcA6Ala
+GlcNAcA6Gly
+GlcNAcAAla
+GlcNAcAN
+GlcNAcANAla
+GlcNAcANAlaAc
+GlcNAcANAlaFo
+GlcNAcAOAc
+GlcNAcAOMe
+GlcNAcAla
+GlcNAcGlu
+GlcNAcGly
+GlcNAcGro
+GlcNAcN
+GlcNAcN-ol
+GlcNAcNAla
+GlcNAcNAlaFo
+GlcNAcNAmA
+GlcNAcOAc
+GlcNAcOAc1Vac
+GlcNAcOAcNAla
+GlcNAcOAcOCm1Ole
+GlcNAcOAcOCm1Pam
+GlcNAcOAcOCm1Vac
+GlcNAcOAcOLac
+GlcNAcOAcOS-ol
+GlcNAcOLac
+GlcNAcOLacAla
+GlcNAcOLacGro
+GlcNAcOMe
+GlcNAcOP
+GlcNAcOPCho
+GlcNAcOPEtN
+GlcNAcOPEtg
+GlcNAcOPGro
+GlcNAcOPGroA
+GlcNAcOPOAch
+GlcNAcOPyr
+GlcNAcOS
+GlcNAcOS-ol
+GlcNAcPCho
+GlcNAm
+GlcNAmA
+GlcNBut
+GlcNButOAc
+GlcNCm1OleOCm
+GlcNCm1Vac
+GlcNCm1VacOCm
+GlcNCmOCm
+GlcNCmOCm1Ole
+GlcNCmOCm1Vac
+GlcNGc
+GlcNGly
+GlcNMe
+GlcNMe1PamOCm
+GlcNMe1Vac
+GlcNMe1VacOCm
+GlcNMe2Vac
+GlcNMe2Vac3Cm4Cm
+GlcNMeOCm
+GlcNMeOCm1Pam
+GlcNMeOCm1Vac
+GlcNMeOCm2Pam
+GlcNMeOCm2Vac
+GlcNMeOCmOSte
+GlcNMeOSte
+GlcNOAc
+GlcNOCm1Vac
+GlcNOCmOAch
+GlcNOMar
+GlcNOMyr
+GlcNOP
+GlcNOPEtN
+GlcNOPyr
+GlcNP3NFoA6N
+GlcNProp
+GlcNS3S
+GlcNS3S6S
+GlcNS6S
+GlcOAc
+GlcOBz
+GlcOCm2Vac6AcNMe
+GlcOCm6AcNMe
+GlcOEtNN
+GlcOGly
+GlcOLac
+GlcOMal
+GlcOMe
+GlcOMe-ol
+GlcOMeN
+GlcOMeNOMyr
+GlcOMeOPyr
+GlcOP
+GlcOP-ol
+GlcOP1Ole
+GlcOPCho
+GlcOPChoGro
+GlcOPEtN
+GlcOPEtNN
+GlcOPGro
+GlcOPN
+GlcOPN1Pam
+GlcOPNOMyr
+GlcOPPEtN
+GlcOPyr
+GlcOS
+GlcOSN
+GlcOSNMeOCm
+GlcOSin
+GlcPGro
+GlcThr
+Glcf
+Gul
+Gul-onic
+GulA
+GulN
+GulNAc
+GulNAc1N
+GulNAc1N6Me
+GulNAcA
+GulNAcAN
+GulNAcANAm
+Hep
+Hep3Me6Me
+Hep4P
+HepOP
+Hex
+Hex-ol
+HexA
+HexA2NAc3NAc
+HexA2S
+HexA6S
+HexN
+HexN2Me
+HexNAc
+HexNAc-ol
+HexNAcOPCho
+HexNAcOPEtN
+HexNAcOS
+HexOAc
+HexOMe
+HexOMeOFo
+HexOS
+Hexf
+Ido
+Ido-onic
+Ido2S
+IdoA
+IdoA1Me2S
+IdoA1PP
+IdoA2Ac3Ac
+IdoA2Me3Me
+IdoA2S
+IdoA2S3Ac
+IdoA2S3Et
+IdoA2S3Me
+IdoA2S3S
+IdoA2S4Me
+IdoA2S6Me
+IdoA2S6S
+IdoA3S
+IdoAOS
+IdoN
+IdoN6N
+IdoNAc
+IdoNAc1N
+IdoNAc6NAc
+Ins
+Ins3PEtN
+Kdn
+Kdn1N
+Kdn2P
+Kdn5Ac
+Kdn7Pyr
+Kdn8Me
+Kdn9Ac
+Kdn9Me
+KdnNAc
+KdnOMe
+Kdo
+Kdo-ol
+Kdo1Me
+Kdo1N
+Kdo2Me
+Kdo2P
+Kdo2P8N
+Kdo2PGro
+Kdo4Ac
+Kdo4Ac5Ac
+Kdo4Ac5S
+Kdo4P
+Kdo4P8P
+Kdo4PPEtN
+Kdo4PPEtN8N
+Kdo5Me
+Kdo5P
+Kdo5PGro
+Kdo5S
+Kdo7Ac
+Kdo7Me
+Kdo7P
+Kdo7PEtN
+Kdo7Pyr
+Kdo8Ac
+Kdo8P
+Kdo8PEtN
+Kdo8Pp
+KdoN
+KdoOAc
+KdoOMe
+KdoOP
+KdoOPEtN
+KdoOPN
+KdoOPOEtN
+KdoOPPEtN
+KdoOPPEtNN
+Kdof
+Ko
+Ko2Me
+KoOMe
+KoOPEtN
+L-2dThrPen4N
+L-2dThrPen4NMe
+L-4dEry-ol
+L-4dEryHexAN4en
+L-4dThrHex4en
+L-4dThrHexA4en
+L-4dThrHexA4en6N
+L-4dThrHexA4enAla
+L-4dThrHexAN4en
+L-4dThrHexNAcA4en6N
+L-4dThre-ol
+L-6dAll
+L-6dAraHex
+L-6dAraHexOMe
+L-6dGalHep
+L-6dGalHepOP
+L-6dGalHepf
+L-6dGul
+L-6dGulHep
+L-6dGulHepOMe
+L-6dGulHepOP
+L-6dGulHepf
+L-6dXylHexNAc4Ulo
+L-All
+L-Dig
+L-Dig3Me
+L-Dig4Me
+L-DigOMe
+L-Ery-ol
+L-Fru
+L-Gal
+L-Gal-onic
+L-Gal1PP
+L-Gal2S
+L-Gal3S
+L-Gal6S
+L-GalA2N
+L-GalA2NAc
+L-GalA2NAc3NAc
+L-GalA2NAc4Ac
+L-GalA3Me
+L-GalANAm3Ac
+L-GalAOAcNAm
+L-GalNAc
+L-GalNAc-onic
+L-GalNAcA
+L-GalNAcA3Ac
+L-GalNAcAN
+L-GalNAcAOAc
+L-GalNAmA
+L-GalOS
+L-Glc
+L-Glc2S3S
+L-Glc3Me
+L-Glc3Me6Me
+L-GlcA
+L-GlcN2Me
+L-GlcN2Me3P
+L-GlcNAc
+L-GlcOMe
+L-Gul
+L-Gul-onic
+L-Gul1PP
+L-Gul4NAc5NAc-onic
+L-GulA
+L-GulA2N
+L-GulA2NAc
+L-GulA2NAc3Et
+L-GulA2NAc3N
+L-GulA2NAc3NAc
+L-GulA2NAc3NAm
+L-GulA2S
+L-GulAN
+L-GulNAc
+L-GulNAc3Ac
+L-GulNAcA
+L-GulNAcA3Ac6Gly
+L-GulNAcA3NAc
+L-GulNAcA3NAm
+L-GulNAcA6Gly
+L-GulNAcAN
+L-GulNAcANAm
+L-GulNAcANEtN
+L-GulNAcAOAc
+L-GulNAcAOAcN
+L-GulNAcAOEtN
+L-Lyx
+L-Man
+L-Man-ol
+L-Man2Me4Me
+L-Man3Me
+L-Man6Me
+L-ManNAc
+L-Oli
+L-Oli3CMe
+L-Oli3CMe4Ac
+L-Oli3CNMe
+L-Oli3Me
+L-Oli3Me4Ac
+L-Oli4Me
+L-Psif
+L-Qui
+L-Qui2Me4N
+L-Qui3Ac4Ac
+L-Qui3NAc
+L-Qui3NAc4Me
+L-Qui4N
+L-QuiN
+L-QuiNAc
+L-QuiNAc4P
+L-QuiNAcOMe
+L-QuiNAcOP
+L-Ribf
+L-Tal
+L-TalNAc
+L-Xyl
+L-Xyl1N4Me
+L-Xyl1N4Me-onic
+L-Xyl3Me
+L-XylOMe
+LDIdoHep
+LDIdoHepPro
+LDManHep
+LDManHep1Me4P
+LDManHep2Ac
+LDManHep2Gly4P
+LDManHep2P4P
+LDManHep2PPEtN
+LDManHep2PPEtN4P
+LDManHep3P
+LDManHep3PEtN
+LDManHep4P
+LDManHep4P6Gly
+LDManHep4P6P
+LDManHep4PEtN
+LDManHep4PEtN7PEtN
+LDManHep4POGly
+LDManHep4PPEtN
+LDManHep6P
+LDManHep6P7Cm
+LDManHep6PEtN
+LDManHep6PPEtN
+LDManHep7P
+LDManHep7PEtN
+LDManHepGly
+LDManHepGroN
+LDManHepOAc
+LDManHepOCm
+LDManHepOEtN
+LDManHepOGly
+LDManHepOMe
+LDManHepOP
+LDManHepOPEtN
+LDManHepOPGroA
+LDManHepOPOCm
+LDManHepOPOMe
+LDManHepOPOPEtN
+LDManHepOPOPPEtN
+LDManHepOPPEtN
+LDManHepPGroA
+Leg
+Leg2P5Ac7Ac
+Leg4Ac5Ac7Ac
+Leg5Ac
+Leg5Ac7Ac
+Leg5Ac7Ala
+Leg5Ac7But
+Leg5Am7Ac
+Leg5But7Ac
+Leg5Fo7Ac
+LegNAc
+LegNAcAla
+LegNAcNAla
+LegNAcNAm
+LegNAcNBut
+LegNFo
+Lyx
+Lyx-ol
+Lyx2Me
+Lyx2N-ol
+Lyxf
+Lyxf3CFo
+Man
+Man-ol
+Man-onic
+Man1Cer
+Man1Et
+Man1EtN
+Man1Me
+Man1Me2Et
+Man1Me2S3S6S
+Man1Me4Me
+Man1N
+Man1N-ol
+Man1P
+Man1P-ol
+Man1PEtN-ol
+Man1PP
+Man1Prop
+Man1S
+Man1S2Ac3Ac4Ac
+Man1S2S4S6S
+Man1S3S4S6S
+Man1Ser
+Man2Ac
+Man2Ac3Ac4Ac
+Man2Ac3Ac4Ac6Ac
+Man2Ac4Ac6Ac
+Man2Ac6Ac
+Man2Br
+Man2But
+Man2But6Ac
+Man2Cl6Cl
+Man2Et
+Man2F
+Man2Me
+Man2Me4N
+Man2Me6Me
+Man2N
+Man2N-ol
+Man2Oco3Hxo4Hxo6Hxo
+Man2Oco3Oco4Oco6Oco
+Man2Oco6Ac
+Man2P
+Man2PEtN
+Man2PMe
+Man2S
+Man2S3S4S6P
+Man2S3S6S
+Man2S4S6S
+Man2S6S
+Man3Ac
+Man3CMe
+Man3CN
+Man3Et
+Man3Fo
+Man3Me
+Man3N
+Man3P
+Man3PGro
+Man3PMe
+Man3S
+Man3S4S6S
+Man3S6S
+Man4Ac
+Man4Ac6Ac
+Man4CN
+Man4Dhpa
+Man4Lac
+Man4Me
+Man4Me6Me
+Man4N
+Man4Pyr
+Man4S
+Man4Suc
+Man5P-ol
+Man6AEP
+Man6Ac
+Man6Aep
+Man6F
+Man6Me
+Man6N
+Man6P
+Man6P-ol
+Man6PCho
+Man6PEtN
+Man6S
+ManA
+ManA1PP
+ManA1PP2NAc
+ManA1PP2NAc3NAc
+ManA2Ac
+ManA2Ac3Ac
+ManA2NAc
+ManA2NAc3N
+ManA2NAc3NAc
+ManA2NAc3NAc6N
+ManA2NAc3NAm
+ManA2NAc6P
+ManA6Me
+ManAOAc
+ManN
+ManN-ol
+ManN-onic
+ManN1N-ol
+ManN2But
+ManN3N
+ManNAc
+ManNAc-ol
+ManNAc1Me
+ManNAc1Me3Ac
+ManNAc1N
+ManNAc1P
+ManNAc1P3Ac
+ManNAc1P3Ac4Ac
+ManNAc1P4Ac
+ManNAc1PP
+ManNAc2NAc
+ManNAc2NAc6Thr
+ManNAc3Ac
+ManNAc4Ac
+ManNAc4Ac6Ac
+ManNAc4Lac
+ManNAc4P
+ManNAc4PGroA
+ManNAc4Pyr
+ManNAc6Ac
+ManNAc6PEtN
+ManNAcA
+ManNAcA1Gro3NAc
+ManNAcA2NAc
+ManNAcA2NAc4Me
+ManNAcA3NAc
+ManNAcA3NAc6Ala
+ManNAcA3NAc6N
+ManNAcA3NAm
+ManNAcA3NAm6Thr
+ManNAcA4Ac
+ManNAcA4Me6N
+ManNAcA6Thr
+ManNAcAAla
+ManNAcAN
+ManNAcANAm
+ManNAcANEtN
+ManNAcANOOrn
+ManNAcAOAc
+ManNAcASer
+ManNAcGroA
+ManNAcOAc
+ManNAcOMe
+ManNAcOPGro
+ManNAcOPyr
+ManNAcPGro
+ManNOPGro
+ManNPGro
+ManOAc
+ManOAcN
+ManOAcOMe
+ManOAcOPyr
+ManOEtN
+ManOLac
+ManOMe
+ManOP
+ManOP-ol
+ManOPCho
+ManOPEtN
+ManOPMe
+ManOPOMe
+ManOPOPyr-ol
+ManOPyr
+ManOS
+Manf
+Manf1Me
+Manf1Me5P
+Monosaccharide
+Mur
+MurN
+MurNAc
+MurNAc-ol
+MurNAc1Me
+MurNAc1PP
+MurNAc6Ac
+MurNAc8Ala
+MurNAcAla
+MurNAcOP
+MurNAcSer
+Neu
+Neu1Me4Ac5Ac7Ac8Ac9Ac
+Neu1Me5Ac
+Neu1N5Ac
+Neu1N5Gc
+Neu1NMe5Ac
+Neu2P5Ac
+Neu2P5Gc
+Neu4Ac
+Neu4Ac5Ac
+Neu4Ac5Ac6Ac
+Neu4Ac5Ac7Ac
+Neu4Ac5Ac7Ac8Ac9Ac
+Neu4Ac5Ac9Ac
+Neu4Ac5Gc
+Neu4Ac5Gc9Ac
+Neu4Ac7Ac9Ac
+Neu4Ac9Ac
+Neu4Gc5Ac
+Neu4Me5Ac
+Neu4Me5Ac9Me
+Neu4NAc5Ac
+Neu5Ac
+Neu5Ac6Ac
+Neu5Ac7Ac
+Neu5Ac7Ac8Ac
+Neu5Ac7Ac9Ac
+Neu5Ac8Ac
+Neu5Ac8Me
+Neu5Ac8S
+Neu5Ac9Ac
+Neu5Ac9Me
+Neu5Ac9N
+Neu5Ac9NAc
+Neu5AcOAc
+Neu5AcOMe
+Neu5AcOS
+Neu5Fo
+Neu5Gc
+Neu5Gc7Ac
+Neu5Gc8Me
+Neu5Gc8S
+Neu5Gc9Ac
+Neu5Gc9Me
+Neu5GcOAc
+Neu5GcOLac
+Neu5GcOMe
+Neu5GcOS
+Neu5Pp
+Neu7Ac9Ac
+Neu8Me
+Neu9Ac
+Oli
+Oli1Me
+Oli3CMe
+Oli3Me
+Oli3N
+Oli3NAc
+Oli4Me
+Par
+Par1PP
+Parf
+Pau3Me
+Pau3Me7Ac
+Pau3Me7But
+Pau3Me7Pp
+Pau3Me7Vl
+Pen
+PenOMe
+Penf
+PenfOMe
+PerNAc
+Pse
+Pse2Gro5Ac7Ac
+Pse2P5Ac7Ac
+Pse4Ac5Ac7Ac
+Pse4Ac5Ac7But
+Pse5Ac
+Pse5Ac7Ac
+Pse5Ac7AcNBut
+Pse5Ac7AcOBut
+Pse5Ac7But
+Pse5Ac7Fo
+Pse5Am7Gc
+Pse5Am7Gra
+Pse5Am7GroA
+Pse5But7Ac
+Pse5But7Fo
+Pse7Fo
+PseNAc
+PseNAcNAm
+PseNAcNBut
+PseNAcNFo
+PseNAcNGro
+PseNAcOAcNBut
+PseNAcOBut
+PseNButNFo
+Psif
+Qui
+Qui-ol
+Qui1Cer6S
+Qui2F
+Qui2Me4N
+Qui2Me4NAc
+Qui2Me4NBut
+Qui2N6S
+Qui2NAlaAc4NAlaAc
+Qui2NBut4NBut
+Qui2S3NBut
+Qui3N
+Qui3NAc
+Qui3NAc-ol
+Qui3NAlaAc
+Qui3NBut
+Qui3NFo
+Qui3NSerAc
+Qui3NThrAc
+Qui4CN
+Qui4N
+Qui4NAc
+Qui4NAlaAc
+Qui4NAlaBut
+Qui4NAlaLac
+Qui4NAspAc
+Qui4NBut
+Qui4NButAla
+Qui4NFo
+Qui4NGlyAc
+Qui4NHSerAc
+Qui4NHSerBut
+Qui4NMe
+Qui4NSerAc
+Qui6S
+QuiN
+QuiNAc
+QuiNAc-ol
+QuiNAc1Gro
+QuiNAc1Gro4N
+QuiNAc1Me4NAc
+QuiNAc1N
+QuiNAc2Ac4Ac
+QuiNAc3Ac4Ac
+QuiNAc3NAc
+QuiNAc4Ac
+QuiNAc4Me
+QuiNAc4N
+QuiNAc4NAc
+QuiNAc4NBut
+QuiNAc4NButGro
+QuiNAc4NGroA
+QuiNAc4NHex
+QuiNAcGro
+QuiNAcN
+QuiNAcNAlaAc
+QuiNAcNAm
+QuiNAcNAspAc
+QuiNAcNBut
+QuiNAcOAc
+QuiNAcOBut
+QuiNAcOMe
+QuiNAcOP
+QuiNAcOPGro
+QuiNAcPGro
+QuiNAla
+QuiNAlaAc
+QuiNAlaAcGro
+QuiNAlaButGro
+QuiNAspAc
+QuiNBut
+QuiNButAla
+QuiNButOMe
+QuiNFo
+QuiNGlyAc
+QuiNHseGro
+QuiNLac
+QuiNMal
+QuiNMe3Lac
+QuiNSerAc
+QuiNThrAc
+QuiOMe
+QuiOMeN
+Rha
+Rha-ol
+Rha1Dco
+Rha1EtN
+Rha1Fer
+Rha1Gro
+Rha1Gro3Me
+Rha1Gro3PEtN
+Rha1Me
+Rha1N
+Rha1P
+Rha1PP
+Rha1Prop
+Rha2Ac
+Rha2Ac3Ac
+Rha2Ac3Ac4Ac
+Rha2Ac3Lac
+Rha2Ac3Me
+Rha2Ac3PCho
+Rha2Ac4Ac
+Rha2Cl
+Rha2Gro
+Rha2Me
+Rha2Me3Me
+Rha2Me3Me4Me
+Rha2Me4Bz
+Rha2Me4Me
+Rha2PCho
+Rha2S
+Rha2S3S4S
+Rha3Ac
+Rha3Ac4Ac
+Rha3Lac
+Rha3Me
+Rha3Me4Me
+Rha3PEtN
+Rha3PEtN4Ac
+Rha3PGro
+Rha3PMe
+Rha3Pyr
+Rha3S
+Rha4Ac
+Rha4Me
+Rha4PGro
+RhaCMe
+RhaGro
+RhaGroA
+RhaNAc
+RhaNAc3NAc
+RhaNAc3NAc4Ac
+RhaNAc3NFo
+RhaNAcNBut
+RhaNAcOAc
+RhaNPro
+RhaOAc
+RhaOAcOLac
+RhaOAcOMe
+RhaOBut
+RhaOLac
+RhaOMe
+RhaOMeCMeNLac
+RhaOMeCMeOFo
+RhaOP
+RhaOPEtN
+RhaOPGro
+RhaOPOMe
+RhaOPyr
+RhaOS
+RhaPGro
+Rhaf
+Rib
+Rib-ol
+Rib1N5PP-ol
+Rib1P-ol
+Rib1P2Ala3Ala4Ala-ol
+Rib2Ac3Ac4Ac
+Rib2Ac5P-ol
+Rib2Ala5P-ol
+Rib3Ac5P-ol
+Rib3P-ol
+Rib4Ac5P-ol
+Rib5P
+Rib5P-ol
+Rib5PP-ol
+RibOAc
+RibOAcOP-ol
+RibOP-ol
+RibOPEtN-ol
+RibOPGro-ol
+RibOPPGro-ol
+RibPGro-ol
+Ribf
+Ribf-uronic
+Ribf1N
+Ribf1N2P
+Ribf1N5P
+Ribf2Ac
+Ribf3Ac
+Ribf5Ac
+Ribf5P
+RibfOAc
+Sed
+Sedf
+Sia
+Sor
+Sorf
+Suc
+Sug
+Sug2Ac
+Sug2Ac3Ac
+Sug2Ac3Ac4Ac
+Sug2Ac5Me
+Sug5Ac7Pyr
+Sug5Ac7Pyr8Ac
+SugOAc
+Sugf
+Tag
+Tagf
+Tal
+TalA
+TalNAc-ol
+Thre-ol
+Thre-onic
+Tyv
+Tyv1PP
+Tyv2Me
+VioNAc
+Xluf
+Xluf1Me
+Xluf3Me
+XlufOMe
+Xyl
+Xyl-ol
+Xyl-onic
+Xyl1Cer
+Xyl1Me
+Xyl1N
+Xyl1N-ol
+Xyl1N2Me-ol
+Xyl1P
+Xyl1PP
+Xyl2Ac
+Xyl2Ac3Ac
+Xyl2Ac3Ac4Ac
+Xyl2F
+Xyl2Me
+Xyl2Me3Me
+Xyl2Me4Me
+Xyl2NAc
+Xyl2P
+Xyl2P-ol
+Xyl2S
+Xyl3Ac
+Xyl3Me
+Xyl4Ac
+Xyl4Me
+Xyl4N
+Xyl4S
+XylOAc
+XylOBz
+XylOMe
+Xylf
+Xylf2Me3Me5Me
+Yer
+YerOAc
+a1-1
+a1-11
+a1-2
+a1-3
+a1-4
+a1-5
+a1-6
+a1-7
+a1-8
+a1-9
+a1-?
+a2-1
+a2-11
+a2-2
+a2-3
+a2-4
+a2-5
+a2-6
+a2-7
+a2-8
+a2-9
+a2-?
+a3-2
+a3-4
+a4-1
+a6-1
+a6-2
+a6-3
+a6-6
+b1-1
+b1-2
+b1-3
+b1-4
+b1-5
+b1-6
+b1-7
+b1-8
+b1-9
+b1-?
+b2-1
+b2-2
+b2-3
+b2-4
+b2-5
+b2-6
+b2-7
+b2-8
+b3-1
+b3-3
+b4-1
+b4-2
+b6-1
+b6-2
+b6-3
+bond
+dHex
diff --git a/experiments/lgi_model.py b/experiments/lgi_model.py
index ee27dca..a3743e7 100644
--- a/experiments/lgi_model.py
+++ b/experiments/lgi_model.py
@@ -24,7 +24,9 @@ def __init__(self, lectin_encoder: str, le_layer_num: int, path: str | None = No
                 otherwise, such file will be created.
         """
         self.path = Path(path or "data") / f"{lectin_encoder}_{le_layer_num}.pkl"
-        print("Path:", self.path.resolve())
+        # print("Path:", self.path.resolve())
+        self.path.parent.mkdir(parents=True, exist_ok=True)
+        
         self.encoder = ENCODER_MAP[lectin_encoder](le_layer_num)
         self.data = self._load()
 
@@ -33,7 +35,7 @@ def query(self, aa_seq: str) -> torch.Tensor:
             try:
                 self.data[aa_seq] = self.encoder(aa_seq)
             except Exception as e:
-                print(e)
+                # print(e)
                 self.data[aa_seq] = None
 
         return self.data[aa_seq]
@@ -67,7 +69,7 @@ def __init__(
         self.lectin_encoder = lectin_encoder
         self.le_layer_num = le_layer_num
 
-        self.lectin_embeddings = LectinStorage(lectin_encoder, le_layer_num)
+        self.lectin_embeddings = LectinStorage(lectin_encoder, le_layer_num, kwargs["root_dir"])
         self.combined_dim = glycan_encoder.hidden_dim + EMBED_SIZES[lectin_encoder]
 
         self.head, self.loss, self.metrics = get_prediction_head(self.combined_dim, 1, "regression", size="large")
@@ -125,6 +127,12 @@ def test_step(self, batch: HeteroData, batch_idx: int) -> dict[str, torch.Tensor
         """Compute the testing step of the model"""
         return self.shared_step(batch, "test")
 
+    def predict_step(self, batch: HeteroData, batch_idx: int) -> dict[str, torch.Tensor]:
+        fwd_dict = self(batch)
+        fwd_dict["IUPAC"] = batch["IUPAC"]
+        fwd_dict["seq"] = batch["aa_seq"]
+        return fwd_dict
+
     def shared_end(self, stage: Literal["train", "val", "test"]):
         """
         Compute the shared end of the model.
diff --git a/experiments/train_lgi.py b/experiments/train_lgi.py
index 41bce7f..9e1fc0c 100644
--- a/experiments/train_lgi.py
+++ b/experiments/train_lgi.py
@@ -1,12 +1,12 @@
 import os
-# os.environ["CUDA_VISIBLE_DEVICES"] = "1"
+os.environ["CUDA_VISIBLE_DEVICES"] = "1"
 
 from argparse import ArgumentParser
 import time
 import copy
-
+from pathlib import Path
 from pytorch_lightning import Trainer
-from pytorch_lightning.callbacks import RichProgressBar, RichModelSummary
+from pytorch_lightning.callbacks import RichProgressBar, RichModelSummary, ModelCheckpoint
 from pytorch_lightning.loggers import CSVLogger
 from torch_geometric import seed_everything
 
@@ -68,11 +68,16 @@ def train(**kwargs):
         glycan_encoder,
         kwargs["model"]["lectin_encoder"]["name"],
         kwargs["model"]["lectin_encoder"]["layer_num"],
+        **kwargs,
     )
     model.to("cuda")
 
     trainer = Trainer(
-        callbacks=[RichProgressBar(), RichModelSummary()],
+        callbacks=[
+            ModelCheckpoint(dirpath=Path(kwargs["logs_dir"]) / "full", monitor="val/loss"),
+            RichProgressBar(), 
+            RichModelSummary(),
+        ],
         logger=logger,
         max_epochs=kwargs["model"]["epochs"],
         accelerator="gpu",
diff --git a/gifflar/data/datasets.py b/gifflar/data/datasets.py
index f6bcf9f..0c1a229 100644
--- a/gifflar/data/datasets.py
+++ b/gifflar/data/datasets.py
@@ -2,6 +2,7 @@
 from pathlib import Path
 from typing import Union, Optional, Callable, Any
 import os
+import shutil
 
 import numpy as np
 import pandas as pd
@@ -25,6 +26,7 @@ def __init__(
             schema: Schema = object,
             path_idx: int = 0,
             log: bool = True,
+            force_reload: bool = False,
     ) -> None:
         self.backend = "sqlite"  # "sqlite" or "rocksdb"
         self.schema = schema
@@ -32,7 +34,14 @@ def __init__(
 
         self._db: Optional[Database] = None
         self._numel: Optional[int] = None
-        super(OnDiskDataset, self).__init__(root, transform, pre_transform, pre_filter, log=log)
+        super(OnDiskDataset, self).__init__(root, transform, pre_transform, pre_filter, log=log, force_reload=force_reload)
+
+    def _process(self):
+        if self.force_reload:
+            print("Remove root", self.root)
+            shutil.rmtree(self.root, ignore_errors=True)
+            self.force_reload = False
+        super(OnDiskDataset, self)._process()
 
     def get_db(self, path_idx):
         kwargs = {}
@@ -66,8 +75,10 @@ def process_(self, data: list[HeteroData], path_idx: int):
         """
 
         """
+        
         db = self.get_db(path_idx)
-        db.multi_insert(range(len(data)), data, batch_size=None)
+        if len(data) != 0:
+            db.multi_insert(range(len(data)), data, batch_size=None)
         db.close()
 
 
@@ -78,8 +89,9 @@ def __init__(
             transform: Optional[Callable] = None,
             pre_transform: Optional[Callable] = None,
             path_idx: int = 0,
+            force_reload: bool = False,
     ) -> None:
-        super().__init__(root, transform, pre_transform)
+        super().__init__(root, transform, pre_transform, force_reload=force_reload)
         self.data, self.dataset_args = torch.load(self.processed_paths[path_idx])
     
     def __len__(self) -> int:
@@ -107,6 +119,7 @@ def __init__(
             transform: Optional[Callable] = None,
             pre_transform: Optional[Callable] = None,
             path_idx: int = 0,
+            force_reload: bool = False,
             **dataset_args: dict[str, Any],
     ):
         """
@@ -123,7 +136,7 @@ def __init__(
         """
         self.filename = Path(filename)
         self.dataset_args = dataset_args
-        super().__init__(root=str(Path(root) / f"{self.filename.stem}_{hash_code}"), transform=transform, pre_transform=pre_transform, path_idx=path_idx)
+        super().__init__(root=str(Path(root) / f"{self.filename.stem}_{hash_code}"), transform=transform, pre_transform=pre_transform, path_idx=path_idx, force_reload=force_reload)
 
     @property
     def processed_paths(self) -> list[str]:
@@ -155,6 +168,7 @@ def __init__(
             hash_code: str,
             transform: Optional[Callable] = None,
             pre_transform: Optional[Callable] = None,
+            force_reload: bool = False,
             **dataset_args: dict[str, Any],
     ):
         """
@@ -169,7 +183,7 @@ def __init__(
             **dataset_args: Additional arguments to pass to the dataset
         """
         super().__init__(root=root, filename=filename, hash_code=hash_code, transform=transform,
-                         pre_transform=pre_transform, **dataset_args)
+                         pre_transform=pre_transform, dataset_args=dataset_args, **kwargs)
 
     @property
     def processed_file_names(self) -> Union[str, list[str], tuple[str, ...]]:
@@ -203,6 +217,7 @@ def __init__(
             hash_code: str,
             transform: Optional[Callable] = None,
             pre_transform: Optional[Callable] = None,
+            force_reload: bool = False,
             **dataset_args: dict[str, Any],
     ):
         """
@@ -218,7 +233,7 @@ def __init__(
             **dataset_args: Additional arguments to pass to the dataset
         """
         super().__init__(root=root, filename=filename, hash_code=hash_code, transform=transform,
-                         pre_transform=pre_transform, path_idx=self.splits[split], **dataset_args)
+                         pre_transform=pre_transform, path_idx=self.splits[split], force_reload=force_reload, **dataset_args)
 
     @property
     def processed_file_names(self) -> Union[str, list[str], tuple[str, ...]]:
@@ -285,8 +300,14 @@ def process(self) -> None:
 class LGIDataset(DownstreamGDs):
     def process(self) -> None:
         """Process the data and store it."""
-        print("Start processing")
-        print(self.pre_transform)
+        # print("Processing", self.filename)
+        # traceback.print_stack()
+        if str(self.filename).endswith(".pkl"):
+            self.process_pkl()
+        elif str(self.filename)[-4:] in {".csv", ".tsv"}:
+            self.process_csv(sep="," if str(self.filename)[-3] == "c" else "\t")
+
+    def process_pkl(self) -> None:
         data = {k: [] for k in self.splits}
         with open(self.filename, "rb") as f:
             inter, lectin_map, glycan_map = pickle.load(f)
@@ -307,3 +328,22 @@ def process(self) -> None:
         for split in self.splits:
             print("Post-process", split)
             self.process_(data[split], path_idx=self.splits[split])
+
+    def process_csv(self, sep: str) -> None:
+        data = {k: [] for k in self.splits}
+        inter = pd.read_csv(self.filename, sep=sep)
+        gs = GlycanStorage(Path(self.root).parent)
+        for i, (_, row) in tqdm(enumerate(inter.iterrows())):
+            d = gs.query(row["IUPAC"])
+            if d is None:
+                continue
+            d["aa_seq"] = row["seq"]
+            d["y"] = torch.tensor([getattr(row, "y", 0)])
+            d["ID"] = i
+            data[getattr(row, "split", "train")].append(d)
+        
+        gs.close()
+        print("Processed", sum(len(v) for v in data.values()), "entries")
+        for split in self.splits:
+            print("Post-process", split)
+            self.process_(data[split], path_idx=self.splits[split])
diff --git a/gifflar/data/hetero.py b/gifflar/data/hetero.py
index f656b4c..6441c69 100644
--- a/gifflar/data/hetero.py
+++ b/gifflar/data/hetero.py
@@ -84,8 +84,7 @@ def hetero_collate(data: Optional[Union[list[list[HeteroData]], list[HeteroData]
     # Include data for the baselines and other kwargs for house-keeping
     baselines = {"gnngly", "sweetnet", "rgcn"}
     kwargs = {key: [] for key in dict(data[0]) if all(b not in key for b in baselines)}
-    # print([d["y"] for d in data])
-
+    #print("\n[", [d["y"] for d in data], "]")
     # Store the node counts to offset edge indices when collating
     node_counts = {node_type: [0] for node_type in node_types}
     for d in data:
@@ -94,7 +93,9 @@ def hetero_collate(data: Optional[Union[list[list[HeteroData]], list[HeteroData]
             try:
                 if not hasattr(d[key], "__len__") or len(d[key]) != 0:
                     kwargs[key].append(d[key])
-            except:
+                #print(key, "failing")
+            except Exception as e:
+                #print(e)
                 pass
 
         # Compute the offsets for each node type for sample identification after batching
@@ -164,12 +165,14 @@ def hetero_collate(data: Optional[Union[list[list[HeteroData]], list[HeteroData]
         if any(key.startswith(b) for b in baselines):
             continue
         elif len(value) != len(data):
+            #print("\n-------------------------------\n", key, "|", len(value), "|", len(data), "\n-------------------------------\n")
             del kwargs[key]
         elif isinstance(value[0], torch.Tensor):
             dim = determine_concat_dim(value)
             if dim is None:
                 raise ValueError(f"Tensors for key {key} cannot be concatenated.")
             kwargs[key] = torch.cat(value, dim=dim)
+    #print(kwargs)
 
     # Finally create and return the HeteroDataBatch
     return HeteroDataBatch(x_dict=x_dict, edge_index_dict=edge_index_dict, edge_attr_dict=edge_attr_dict,
diff --git a/gifflar/data/modules.py b/gifflar/data/modules.py
index 608d06b..8679da4 100644
--- a/gifflar/data/modules.py
+++ b/gifflar/data/modules.py
@@ -12,7 +12,7 @@
 class GlycanDataModule(LightningDataModule):
     """DataModule holding datasets for Glycan-specific training"""
 
-    def __init__(self, batch_size: int = 128, num_workers: int = 16, **kwargs: Any):
+    def __init__(self, batch_size: int = 128, num_workers: int = 1, **kwargs: Any):
         """
         Initialize the DataModule with a given batch size.
 
@@ -113,6 +113,7 @@ def __init__(
             batch_size: int = 64,
             transform: Optional[Callable] = None,
             pre_transform: Optional[Callable] = None,
+            force_reload: bool = False,
             **dataset_args: dict[str, Any],
     ):
         """
@@ -130,7 +131,7 @@ def __init__(
         super().__init__(batch_size)
         self.train = self.ds_class(
             root=root, filename=filename, split="train", hash_code=hash_code, transform=transform,
-            pre_transform=pre_transform, **dataset_args,
+            pre_transform=pre_transform, force_reload=force_reload, **dataset_args,
         )
         self.val = self.ds_class(
             root=root, filename=filename, split="val", hash_code=hash_code, transform=transform,
diff --git a/gifflar/tokenize/pretokenize.py b/gifflar/tokenize/pretokenize.py
index 6a3e397..77093e0 100644
--- a/gifflar/tokenize/pretokenize.py
+++ b/gifflar/tokenize/pretokenize.py
@@ -1,6 +1,7 @@
 import networkx as nx
 from antlr4.CommonTokenStream import CommonTokenStream
 from antlr4.InputStream import InputStream
+from glycowork.motif.graph import glycan_to_nxGraph
 
 from glyles.grammar.GlycanLexer import GlycanLexer
 from glyles.grammar.GlycanParser import GlycanParser
@@ -102,7 +103,7 @@ def graph_to_token_stream(graph):
                 tokens += graph_to_token_stream_int(p)
             else:
                 tokens += ["{"] + graph_to_token_stream_int(p) + ["}"]
-        return tokens,
+        return tokens
     else:
         return graph_to_token_stream_int(graph)
 
@@ -120,12 +121,12 @@ def __call__(self, input_: str):
 
 class GlycoworkPreTokenizer(PreTokenizer):
     def __call__(self, iupac: str):
-        return graph_to_token_stream(iupac)
+        return graph_to_token_stream(glycan_to_nxGraph(iupac))
 
 
 class GrammarPreTokenizer(PreTokenizer):
     def __call__(self, iupac: str):
         iupac = iupac.strip().replace(" ", "")
-        token = CommonTokenStream(GlycanLexer(InputStream(data="{" + iupac + "}")))
+        token = CommonTokenStream(GlycanLexer(InputStream(data="#" + iupac + "#")))
         GlycanParser(token).start()
         return [t.text for t in token.tokens[1:-2]]
diff --git a/gifflar/tokenize/trainer.py b/gifflar/tokenize/trainer.py
index 883b075..a34a3fc 100644
--- a/gifflar/tokenize/trainer.py
+++ b/gifflar/tokenize/trainer.py
@@ -43,8 +43,7 @@ def save(self, path):
 
 
 class BPETrainer(TokenizerTrainer):
-    def __init__(self, pre_tokenizer, token_path="gifflar/grammar/tokens.txt", corpus_path="iupacs.txt",
-                 num_token: int = 50):
+    def __init__(self, pre_tokenizer, token_path="gifflar/grammar/tokens.txt", corpus_path="iupacs.txt", num_token: int = 50):
         super(BPETrainer, self).__init__(pre_tokenizer, corpus_path)
 
         with open(token_path, "r") as f:
diff --git a/gifflar/train.py b/gifflar/train.py
index ac4679c..cbc1d2e 100644
--- a/gifflar/train.py
+++ b/gifflar/train.py
@@ -57,7 +57,7 @@ def setup(count: int = 4, **kwargs: Any) -> tuple[dict, DownsteamGDM, Logger | N
     datamodule = DownsteamGDM(
         root=kwargs["root_dir"], filename=data_config["filepath"], hash_code=kwargs["hash"],
         batch_size=kwargs["model"].get("batch_size", 1), transform=None,
-        pre_transform=get_pretransforms(data_config["name"], **(kwargs["pre-transforms"] or {})), **data_config,
+        pre_transform=get_pretransforms(data_config["name"], **(kwargs["pre-transforms"] or {})), dataset_args=data_config,
     )
     data_config["num_classes"] = datamodule.train.dataset_args["num_classes"]
     kwargs["dataset"]["filepath"] = str(data_config["filepath"])
diff --git a/gifflar/train_lm.py b/gifflar/train_lm.py
index 72c00e9..7b6cf0f 100644
--- a/gifflar/train_lm.py
+++ b/gifflar/train_lm.py
@@ -6,10 +6,10 @@
 from gifflar.tokenize.tokenizer import GIFFLARTokenizer
 
 bpe = GIFFLARTokenizer(GrammarPreTokenizer())
-bpe.load("bpe_1k.pkl")
+bpe.load("datasets/bpe_glyles_50.pkl")
 
 wp = GIFFLARTokenizer(GrammarPreTokenizer())
-wp.load("wp_1k.pkl")
+wp.load("datasets/wp_glycowork_50.pkl")
 
 t = wp
 MAX_LENGTH = 200
@@ -17,7 +17,7 @@
 def tokenize_function(entries: dict) -> Encoding:
     return t(entries["text"], padding="max_length", truncation=True, max_length=MAX_LENGTH)
 
-dataset = load_dataset("text", data_files={"train": "iupacs.txt"})
+dataset = load_dataset("text", data_files={"train": "datasets/glycans_1000.txt"})
 proc_ds = dataset.map(tokenize_function, batched=False, remove_columns=["text"])
 
 esm_config = EsmConfig(
diff --git a/gifflar/train_tokenizer.py b/gifflar/train_tokenizer.py
new file mode 100644
index 0000000..e69de29