--- a
+++ b/toy_data/ddi.txt
@@ -0,0 +1,50 @@
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+C(OC(C(F)(F)F)C(F)(F)F)F CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N 330
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+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 692
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+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 1286
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+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 37
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+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 364
+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 529
+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 245
+CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O 367
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 84
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 887
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 85
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 240
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 816
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 596
+CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N 299