search_term
stringlengths 1
983
| search_type
stringclasses 1
value | reaction_ids
listlengths 1
445k
| count
int64 1
445k
|
|---|---|---|---|
c(=o)([o-])[o-].[cs+].[cs+]
|
smiles
| ["ord-ec30b6a8454048268e227104fe1b995b","ord-cc93e243fc964de3b125e279725a4640","ord-8948a46ed8ef4cbf(...TRUNCATED)
| 10,572
|
c1=cc=c(c=c1)p(c2=cc=cc=c2)c3=c(c4=cc=cc=c4c=c3)c5=c(c=cc6=cc=cc=c65)p(c7=cc=cc=c7)c8=cc=cc=c8
|
smiles
| ["ord-b165e514f9f846c2872fe8f816e6b2d7","ord-784dca1b93a54342b18f8375997f33cb","ord-353dd54a566b4ccf(...TRUNCATED)
| 601
|
"c1=cc=c(c=c1)/c=c/c(=o)/c=c/c2=cc=cc=c2.c1=cc=c(c=c1)/c=c/c(=o)/c=c/c2=cc=cc=c2.c1=cc=c(c=c1)/c=c/c(...TRUNCATED)
|
smiles
| ["ord-b165e514f9f846c2872fe8f816e6b2d7","ord-8f9b18030951427ab1e1a3e32247196d","ord-bfef1bef76ff43f7(...TRUNCATED)
| 314
|
ccoc1=c(c=c2c(=c1)n=cc(=c2nc3=c(c=c(c=c3)f)f)c(=o)occ)br
|
smiles
|
[
"ord-56b1f4bfeebc4b8ab990b9804e798aa7"
] | 1
|
cc(c)n1ccncc1
|
smiles
| ["ord-1a7873c376894e9c99832db47f3410f8","ord-fb7115d3803f4e6fb6e3d22a76b7da9f","ord-633bc8c1ee6448e2(...TRUNCATED)
| 129
|
ccoc1=c(c=c2c(=c1)n=cc(=c2nc3=c(c=c(c=c3)f)f)c(=o)occ)n4ccn(cc4)c(c)c
|
smiles
|
[
"ord-56b1f4bfeebc4b8ab990b9804e798aa7"
] | 1
|
coc1=cc=cc=c1
|
smiles
| ["ord-6334f943075a40c5af90b661003f422d","ord-dee63e4f4aaf4fa6b27dd934c1c98e5a","ord-bf66f04ecb474555(...TRUNCATED)
| 101
|
cc1(c2=c(c(=cc=c2)p(c3=cc=cc=c3)c4=cc=cc=c4)oc5=c1c=cc=c5p(c6=cc=cc=c6)c7=cc=cc=c7)c
|
smiles
| ["ord-ec30b6a8454048268e227104fe1b995b","ord-c8c1812487cb45a2983e445d322bb930","ord-f57bbfadfec74fbb(...TRUNCATED)
| 309
|
c1=cc=c(c=c1)i
|
smiles
| ["ord-cc832050b1854993a53bbd02bde64312","ord-13992005c22d4673aa802b5e140076e8","ord-0eb7fc5c164b43bc(...TRUNCATED)
| 6
|
cn1c=nc2=c1c=c(c(=c2f)n)c(=o)oc
|
smiles
| ["ord-a36b48917c9942d1a34637511773ee1f","ord-1169cbe9fa064a879ac34b2e524a4e69","ord-13992005c22d4673(...TRUNCATED)
| 3
|
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