File: map_numbers.txt

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rdkit 202503.6-4
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SMILES	synton_id	synton#	reaction_id	release
CN(c1ccc(C(=O)[2*])cc1)[1*]	67468	1	a7	3

Fc1cc([1*:1])ccn1	15535	2	a7	3
c1cnc2ccc([1*:1])nc2c1	24773	2	a7	3
Cc1nc(N)c(C)c([1*:1])n1	29593	2	a7	3
c1cc2nc([1*])ncc2[nH]1	30577	2	a7	3
Fc1ccc2c([1*:1])nccc2c1	44908	2	a7	3
O=[N+]([O-])c1c(O)ccnc1[1*:1]	45686	2	a7	3
Cc1cc([N+](=O)[O-])c(N)nc1[1*:1]	56491	2	a7	3
CNc1cc([1*:1])ncn1	59597	2	a7	3
O=c1[nH]c2ccc([1*])nc2[nH]1	249279	2	a7	3
Nc1c(NC2CC2)ncnc1[1*:1]	265474	2	a7	3
Cc1nc(N)c(C#N)c([1*:1])n1	308698	2	a7	3

N#C[C@@H]1CCN([2*])C1	29389	3	a7	3