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rdkit/Code/GraphMol/SynthonSpaceSearch/data/Syntons_5567.csv
David Cosgrove eaf544ab6f SynthonSpace Search (#7978) 
* First pass at splitting molecule.

* Interim commit.  Reading libraries from file in original format.

* Basic search seems to be working.

* Pattern fingerprint screening.

* Connector region heuristic.

* Fixed triazole (aromatic/non-aromatic connectors).

* Fix search with non-split parent query, where query is substructure of a single reagent.

* Remove duplicate hits by reaction/reagents used.

* Implement largest fragment heuristic.

* Extra test files.

* Read/write binary file.
Program for conversion from text format to binary format.

* Remove empty reagent sets on reading, probably due to synthon number counting from 1 rather than 0.

* Tidy SSSearch functions.

* Stash pending major surgery for triazole bug.

* Revert to using unique_ptr.
Correct use of reagent order.

* Function to summarise Hyperspace.

* Delay building hits till end and put cutoff on number.

* Earlier bale-out in getHitReagents.

* Streamline checkConnectorRegions.

* Remove free functions for search.

* Correct name of Python test.

* First stage of Python wrappers.

* Rename namespace.

* Parameters object.

* Mysterious windows export thing.

* Fix bug - not matching number of connectors in fragment and synthon.

* Back like it was.  The connector count wasn't the problem.

* Put the substructure results into their own class.

* gcc 14 didn't like my use of std::reduce.
Update expected test results.

* Remove write statement.

* Tidy.

* Tidy.

* Enable random sample of hits.

* Test that complex SMARTS works.
Update Python wrappers.

* Rename Hyperspace to SynthonSpace.

* More renaming.
Python test.

* Enable Python test.
Remove write.

* Plug memory leak.

* Response to Greg's initial look.

* More response to Greg's initial look.

* get the windows DLL builds working

* Do away with mutable.
Purge a few more uses of reagent in favour of synthon.
Remove the c++ exe for converting text to binary databases.

* Better Synthon c'tor.

* More feedback from Greg.

* Tidy the Python wrapper.

* Remove tags from catch tests.

* Don't allow copying of SubstructureResults.

* Revert to allow copying of SubstructureResults.  The Python wrapper needs it.

* Refinements based on CLion/clangd suggestions.

* Allow for map numbers in connectors in space file.

* Response to review.

* update binary file spec

* Changes after review.

---------

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2024-11-17 08:13:54 +01:00

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29#
30SMILES,synton_id,synton_role,reaction_id
31O=C(c1ccccc1C(F)(F)F)N1CCCN([U])CC1,236434,synton_1,a2
32[U]c1ncc2c(n1)CCCC2,250139,synton_2,a2
33CNC(=O)c1ccnc([U])c1,19571,synton_2,a2
34CC(C)Oc1cc([U])nc(N)n1,403991,synton_2,a2
35O=C(OCC1CC1)c1cnc([U])nc1C(F)(F)F,317239,synton_2,a2
36Cc1cc([U])c2cccnc2n1,1404,synton_2,a2
37Cn1cnc2cnc([U])cc21,47210,synton_2,a2
38O=C1CCC(N2C(=O)c3ccnc([U])c3C2=O)C(=O)N1,30979,synton_2,a2
39[U]c1cn2ccnc2cn1,41550,synton_2,a2
40COCc1ccnc([U])n1,29224,synton_2,a2
41OC1CCN(c2ccnc([U])n2)CC1,361395,synton_2,a2
42Fc1ccc2nc([U])cnc2c1,43942,synton_2,a2
43Cc1nc([U])c2c3c(sc2n1)CCCC3,54193,synton_2,a2
44CC(C)(C)Nc1cc([U])ncn1,313588,synton_2,a2
45[U]c1c2c(nc3ccccc13)CCCC2,22247,synton_2,a2
46NS(=O)(=O)c1ccc([U])nc1,17745,synton_2,a2
47[U]c1ncnn2cccc12,38075,synton_2,a2
48N#Cc1cc(C(=O)O)cnc1[U],6870,synton_2,a2
49[U]c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1,8377,synton_2,a2
50Cn1c([U])c(C#N)c(=O)n(C)c1=O,184623,synton_2,a2
51CCOC(=O)c1cnc(C(F)(F)F)cc1[U],55835,synton_2,a2
52Cc1cc([U])cc(C)n1,50269,synton_2,a2
53CCc1cc([U])nc(N(C)C)n1,414542,synton_2,a2
54Cc1cc(C)cc(-n2ncc3c([U])ncnc32)c1,156607,synton_2,a2
55Cc1cc([U])c(C)cn1,40556,synton_2,a2
56Nc1cc(C(F)(F)F)cc([U])n1,7439,synton_2,a2
57Cn1ccc2c([U])nccc21,62782,synton_2,a2
58O=C(c1cc([U])ccn1)N1CCOCC1,249793,synton_2,a2
59COc1ccc(-c2ccnc([U])n2)cc1,201520,synton_2,a2
60[U]c1ncnc2cccnc12,41737,synton_2,a2
61[U]c1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1,27452,synton_2,a2
62[U]c1ccnc2[nH]nnc12,50733,synton_2,a2
63Oc1nc([U])nc2nc[nH]c12,293156,synton_2,a2
64Cc1c2ccc(N(C)c3ccnc([U])n3)cc2nn1C,10741,synton_2,a2
65CCCNc1cc([U])nc(SC)n1,387731,synton_2,a2
66COc1cc([U])nc(SC)n1,12784,synton_2,a2
67[U]c1ncnc2sc(-c3ccccc3)cc12,250261,synton_2,a2
68COC(=O)c1ccnc([U])c1,26409,synton_2,a2
69N#Cc1c[nH]c2ncnc([U])c12,34299,synton_2,a2
70O=[N+]([O-])c1ccc(-c2ccccc2)nc1[U],11814,synton_2,a2
71CNc1nc([U])c2ccccc2n1,58446,synton_2,a2
72CCOC(=O)c1cnc2cc(OC)ccc2c1[U],22151,synton_2,a2
73COc1ccc2nc(C)cc([U])c2c1,227556,synton_2,a2
74CCOC(=O)c1cnc2ccc([U])nn12,2328,synton_2,a2
75OCc1cnccc1[U],38284,synton_2,a2
76[U]c1nccc2ccsc12,18742,synton_2,a2
77CCOC(=O)c1cnc([U])nc1,20171,synton_2,a2
78[U]c1ncnc2cc(-c3ccccc3)sc12,250228,synton_2,a2
79N#Cc1nccnc1[U],48155,synton_2,a2
80COc1ccnc([U])c1[N+](=O)[O-],50128,synton_2,a2
81[U]c1nccc(-c2ccco2)n1,104438,synton_2,a2
82CSc1nc(N)cc([U])n1,21695,synton_2,a2
83CC[C@@H]1C(=O)N(C)c2cnc([U])nc2N1C(C)C,46143,synton_2,a2
84O=[N+]([O-])c1cccc2nc([U])ccc12,97271,synton_2,a2
85Cc1cc([U])c2ccccc2n1,452556,synton_2,a2
86CCOC(=O)c1nc([U])nc2ccsc12,5801,synton_2,a2
87FC(F)(F)c1nc2ccccc2nc1[U],10428,synton_2,a2
88COCCN([U])CC1CC1,207853,synton_1,a2
89Clc1cc(N[U])ccc1OCc1cccnc1,267295,synton_1,a2
90Oc1ccc(CN[U])cc1,445127,synton_1,a2
91Cc1cc(C)cc(OCCCN(C)[U])c1,417955,synton_1,a2
92Oc1cccc(CN2CCC(N[U])CC2)c1,399318,synton_1,a2
93CC(C)(C)OC(=O)NC1CCCN([U])C1,302145,synton_1,a2
94CC(C)(C)c1ccc(-c2cccc(N[U])c2)cc1,127412,synton_1,a2
95Cc1ccc(C(=O)Nc2cccc(CN[U])c2)cc1,158922,synton_1,a2
96CC(C)(C)[C@@H](N[U])C(N)=O,214678,synton_1,a2
97CCN([U])C(C)(C)C,174151,synton_1,a2
98Brc1cccc(CN([U])C2CC2)c1,212744,synton_1,a2
99O=S(=O)(CC1COC[C@@H]1N[U])c1ccccc1,351077,synton_1,a2
100CCN([U])CCc1nc2cc(C)ccc2[nH]1,400392,synton_1,a2
101O=[N+]([O-])c1ccccc1CN([U])Cc1ccc2c(c1)OCO2,466307,synton_1,a2
102CCN([U])Cc1cc(F)ccc1O,407443,synton_1,a2
103NS(=O)(=O)c1ccc(N2CCN([U])CC2)cc1,272740,synton_1,a2
104[U]N1CCN(CCc2ccccn2)CC1,315575,synton_1,a2
105[U]Nc1ccc(OCCN2CCCC2)cc1,38745,synton_1,a2
106Cc1cn2cc(N[U])ccc2n1,117432,synton_1,a2
107Cc1n[nH]cc1CN[U],152964,synton_1,a2
108CN([U])CCC(C)(C)C,224371,synton_1,a2
109[U]Nc1nccc(-c2cccc3ccccc23)n1,401739,synton_1,a2
110COc1nc(N[U])nc2nc[nH]c12,5328,synton_1,a2
111Ic1ccc(-c2ccc(N[U])cc2)cc1,32946,synton_1,a2
112CCC1CN(C(=O)OC(C)(C)C)CCN1[U],10971,synton_1,a2
113Cc1cc(=O)oc2cc(NC(=O)CN[U])ccc12,308842,synton_1,a2
114Cc1ccccc1C(CN[U])N(C)C,404852,synton_1,a2
115Fc1cc(Cl)ccc1CN[U],36999,synton_1,a2
116CC(C)(C)OC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1[U],49785,synton_1,a2
117Clc1ccc(Br)cc1-c1nc2cc(N[U])ccc2o1,396397,synton_1,a2
118Cc1noc(C2(N[U])CC2)n1,217877,synton_1,a2
119COc1ccc(F)cc1CC1CCN([U])CC1,443623,synton_1,a2
120Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)N[U])ccc12,114354,synton_1,a2
121CC(c1ccc(Cl)cc1)N([U])C1CC1,216410,synton_1,a2
122CN1CCN(C2CCN(C3CCN([U])CC3)CC2)CC1,56313,synton_1,a2
123CC(C)CNC(=O)CN1CCN([U])CC1,229982,synton_1,a2
124COC(=O)CCN([U])Cc1ccccc1,226053,synton_1,a2
125Clc1n[nH]cc1N[U],6454,synton_1,a2
126[U]NCCOc1ccccc1-c1ccccc1,242927,synton_1,a2
127[U]N1CCCC1CCc1ccccc1,212939,synton_1,a2
128O=S(=O)(c1ccc(Br)cc1)C1CCN([U])CC1,118813,synton_1,a2
129[U]NCc1ccccc1OC1CCCC1,270584,synton_1,a2
130COCCN([U])Cc1cccc2ccccc12,388092,synton_1,a2
131OCC(N[U])c1ccc(Br)cc1,111741,synton_1,a2
132FC(F)(F)Oc1ccc(N[U])cc1Br,45081,synton_1,a2
133C=CCN([U])C1CCc2ccccc21,213695,synton_1,a2
134[U]N(Cc1ccc2[nH]ccc2c1)C1CC1,399199,synton_1,a2
135O=C(CN1CCN([U])CC1)Nc1ccccc1F,392930,synton_1,a2
136Cc1c(Cl)cccc1N([U])CN1C(=O)C2C3C=CC(C3)C2C1=O,403676,synton_1,a2
137Oc1cncc(N[U])c1,4461,synton_1,a2
138Clc1cccc(-c2cccc(N[U])c2)c1,327632,synton_1,a2
139CN(C)S(=O)(=O)c1ccc(-c2csc(N[U])n2)cc1,46608,synton_1,a2
140COc1cc(N[U])ccc1O,31236,synton_1,a2
141O=S1(=O)CCC(N([U])Cc2ccccc2)C1,244747,synton_1,a2
142CCOC(=O)[C@@H]1CCCN([U])C1,60544,synton_1,a2
143OCC1CCCCN1[U],41276,synton_1,a2
144CCCn1ccnc1CN[U],340609,synton_1,a2
145Cc1cc(C)n(C(C)CN[U])n1,466273,synton_1,a2
146O=C(NC1CCCC1)c1ccc(N[U])cc1,266345,synton_1,a2
147O=c1nc(N[U])ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F,321251,synton_1,a2
148CC(C)C(C)(C)N[U],439073,synton_1,a2
149Cc1nnc(-c2cc(N[U])ccc2O)o1,437063,synton_1,a2
150CC(C)(C)[Si](C)(C)OC1CN([U])C1,441112,synton_1,a2
151[U]N[C@@H]1CCN(Cc2ccccc2)C1,353084,synton_1,a2
152CN1C2CCC1CC(N[U])C2,17854,synton_1,a2
153Cn1ccnc1C(N[U])c1ccc(Br)cc1,231821,synton_1,a2
154O=C1CN([U])C(c2ccccc2)c2ccccc2N1,379384,synton_1,a2
155CN([U])Cc1ccc(Oc2ccccc2)cc1,392801,synton_1,a2
156O=[N+]([O-])c1ccc(N([U])C2CC2)c2ncccc12,389226,synton_1,a2
157FC(CN[U])c1ccc(Cl)cc1Cl,39531,synton_1,a2
158CCc1ccc(OC)c(N[U])c1,15279,synton_1,a2
159COc1cc(F)cc([C@H](CO)N[U])c1,33870,synton_1,a2
160C=CCOC(=O)CN([U])CCNC(=O)OCC1c2ccccc2-c2ccccc21,60217,synton_1,a2
161CC(CN[U])Cc1cccc2ccccc12,408237,synton_1,a2
162FC1(F)CCN([U])C1,65109,synton_1,a2
163CC1CCCC(N([U])Cc2ccco2)C1C,400497,synton_1,a2
164C[C@@H](N[U])c1cccc(C(F)(F)F)c1,37045,synton_1,a2
165CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1[U],48068,synton_1,a2
166CC(C#N)CSc1ccccc1N[U],142760,synton_1,a2
167CN([U])c1ccc(C(=O)NC(C)(C)C)cc1,223801,synton_1,a2
168FC(F)(F)COc1nc(N[U])nc(OCC(F)(F)F)n1,458782,synton_1,a2
169CSc1ccc(N[U])cc1,63518,synton_1,a2
170CC(C)(C)OC(=O)N1CCN([U])CC1C#N,302197,synton_1,a2
171CCN(C)C1CN([U])C1,231165,synton_1,a2
172Oc1ccccc1CN([U])c1ccccc1Cl,292988,synton_1,a2
173CNC(=O)CCc1ccccc1N[U],428792,synton_1,a2
174CN1CCN(CCCN[U])C(c2ccccc2)C1,186992,synton_1,a2
175O=S(=O)(NCCN[U])c1cccc(Cl)c1,271304,synton_1,a2
176OCCN([U])Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1,36773,synton_1,a2
177O=[N+]([O-])c1ccccc1Sc1ccccc1N[U],320328,synton_1,a2
178O=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1CCN[U],445252,synton_1,a2
179CN1CCC[C@H]1CC1CCCCN1[U],431796,synton_1,a2
180Cc1cc(Br)ccc1CN(C)[U],190052,synton_1,a2
181Brc1ccc(C2CCCN2[U])nc1,23787,synton_1,a2
182O[C@@]12C[C@H]3C[C@@H](C1)C[C@](N[U])(C3)C2,332182,synton_1,a2
183[U]NCc1csc2ccccc12,31815,synton_1,a2
184Cc1ccc(Oc2cc(N[U])cc([N+](=O)[O-])c2)cc1,161086,synton_1,a2
185CCSCCN[U],315614,synton_1,a2
186CC(C)(CO)NC(=O)C1CCN([U])CC1,353861,synton_1,a2
187CC(C)OC(=O)CN(C)[U],189748,synton_1,a2
188[U]N1CCN(C/C=C/c2ccccc2)CC1,362577,synton_1,a2
189CN([U])CCN(C)C(=O)OC(C)(C)C,9029,synton_1,a2
190CC(C)S(=O)(=O)N1CCN([U])CC1,28414,synton_1,a2
191[U]Nc1cccc(C2CC2)c1,240105,synton_1,a2
192Brc1ccc2c(c1)CCC(N[U])C2,96047,synton_1,a2
193CN1CC2CCC(C1)N2[U],6202,synton_1,a2
194Cc1csc(N(C)[U])n1,95690,synton_1,a2
195FC(F)(F)c1ccc(CN[U])cc1Cl,241713,synton_1,a2
196O=C1CCCN1c1ccc(-c2csc(N[U])n2)cc1,264023,synton_1,a2
197OCCN([U])Cc1cccc(F)c1,246737,synton_1,a2
198CN(C(=O)OC(C)(C)C)C1CN([U])C1,341263,synton_1,a2
199CC(C)(C)OC(=O)N1CC2(CN([U])C2)C1,52668,synton_1,a2
200Clc1cccc(N2CCN(CCCN[U])CC2)c1,271109,synton_1,a2
201O=S(=O)(c1cccc(Br)c1)N1CCN([U])CC1,119295,synton_1,a2
202O=S(=O)(CCN[U])N1CCOCC1,242990,synton_1,a2
203CC(C)c1ccc(N[U])c(C#N)c1,20751,synton_1,a2
204CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N[U])ncnc21,39516,synton_1,a2
205COC(=O)[C@@H]1C[C@H](O)CN1[U],26493,synton_1,a2
206CCC(N[U])C(C)C,219821,synton_1,a2
207CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(N[U])c1,172711,synton_1,a2
208CCn1nnc(N[U])n1,173948,synton_1,a2
209CN([U])Cc1ccc(N(C)C)cc1,61956,synton_1,a2
210COC(=O)c1ccc(N([U])C(C)C)c(C)c1,194595,synton_1,a2
211O=C(NCC1CCN([U])CC1)OCc1ccccc1,45784,synton_1,a2
212[U]NCc1ncco1,234412,synton_1,a2
213CN(C)C(=O)N1CCC(N[U])CC1,382575,synton_1,a2
214C[C@@H]1CN([U])CCN1C(=O)OC(C)(C)C,8508,synton_1,a2
215CCN([U])c1cc(OC)ccc1[N+](=O)[O-],403385,synton_1,a2
216[U]NCc1cccnc1-n1cncn1,270601,synton_1,a2
217OC[C@H]1O[C@@H](n2cc(I)c3c(N[U])ncnc32)C[C@@H]1O,28957,synton_1,a2
218Fc1cccc(C2CCN([U])CC2)c1,432647,synton_1,a2
219CCOC(=O)c1cnn2c1N([U])C(C1CC1)CC2C(F)(F)F,177327,synton_1,a2
220CN1CCC(c2ccc(N[U])cc2)CC1,4240,synton_1,a2
221CC1CCN(CC2CCCN([U])C2)CC1,154518,synton_1,a2
222CCCN1CCN([U])CC1,315002,synton_1,a2
223O=[N+]([O-])c1ccccc1N([U])[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,406084,synton_1,a2
224CCN([U])Cc1ccc(F)cc1,7840,synton_1,a2
225CCN([U])CC1CCCO1,174466,synton_1,a2
226CN([U])Cc1nncn1C,189942,synton_1,a2
227Cc1ccc(Cn2cc(Br)c(N[U])n2)cc1,160393,synton_1,a2
228[U]N1CCCC1c1ccncc1,14434,synton_1,a2
229COc1ccc(-c2nc(N[U])sc2C)cc1,201530,synton_1,a2
230[N-]=[N+]=NCCOCCOCCOCCN[U],271347,synton_1,a2
231CCc1ccc(CN([U])CC(C)C)cc1,220190,synton_1,a2
232CCCN([U])Cc1ccc(F)cc1F,171756,synton_1,a2
233CN(C(=O)OC(C)(C)C)C1CCCN([U])C1,47086,synton_1,a2
234CC1(C)c2ccccc2-c2ccc(N([U])c3cccc(-c4ccccc4)c3)cc21,49099,synton_1,a2
235CCc1ccc(Cl)c(CC)c1N[U],54414,synton_1,a2
236Cn1nc(N[U])c2cccnc21,48577,synton_1,a2
237CC(C)n1ncc2cc(N[U])ccc21,140793,synton_1,a2
238COc1nccc(CN[U])n1,32572,synton_1,a2
239Fc1c(Cl)ccc(Cl)c1CN[U],7523,synton_1,a2
240[U]N(c1nc(-c2ccccc2)cs1)C1CCCCC1,121887,synton_1,a2
241CCOC(=O)Cc1csc(N([U])c2ccc(F)cc2)n1,336441,synton_1,a2
242C#CCN([U])C1CCOCC1,120739,synton_1,a2
243C[C@@H]1COC[C@H](C)N1[U],47991,synton_1,a2
244CCOCCN([U])CCOCC,180495,synton_1,a2
245Fc1ccc2c(c1)C(N[U])CCS2,239593,synton_1,a2
246O=C(C1CCCO1)N1CCN([U])CC1,21017,synton_1,a2
247CC(C)(C)CC(C)(C)c1ccc(N([U])c2ccc(C(C)(C)CC(C)(C)C)cc2)cc1,15837,synton_1,a2
248CN([U])Cc1scc2c1OCCO2,318683,synton_1,a2
249[U]NCCC1CCCCCC1,101273,synton_1,a2
250CN([U])Cc1c[nH]nc1-c1ccccc1,453133,synton_1,a2
251CC(C)c1ncccc1N[U],3098,synton_1,a2
252FC(F)(F)c1ccc(CN[U])nc1,19221,synton_1,a2
253NC(=O)C1CCCN(c2ccccc2CN[U])C1,270577,synton_1,a2
254CN([U])Cc1ccccc1Br,50629,synton_1,a2
255COc1ccc(CN([U])C(C)C)c(OC)c1OC,465160,synton_1,a2
256CC[C@H](C)[C@@H](C(=O)OC)N(C)[U],67636,synton_1,a2
257COc1ccc(CN[U])c(Cl)c1OC,227362,synton_1,a2
258O=C(CN1CCN([U])CC1)N1CCCC1,480010,synton_1,a2
259COc1ccc(N[U])c([N+](=O)[O-])c1,203424,synton_1,a2
260CC(C)Oc1ccc(CN[U])cc1F,215646,synton_1,a2
261OCC1(N[U])CCC1,102008,synton_1,a2
262NC(=O)C(c1ccccc1)C1CCCCN1[U],438181,synton_1,a2
263[U]NCC1COc2ccccc2C1,96679,synton_1,a2
264CC(=O)NC1CCN([U])C1,125155,synton_1,a2
265[U]N1CCc2cc(OCc3ccccc3)ccc21,96671,synton_1,a2
266C[C@@H](N[U])c1ccc(Cl)c(Cl)c1,113943,synton_1,a2
267Fc1cnccc1N1CCN([U])CC1,233412,synton_1,a2
268CC1CCN(C(=O)C2CCN([U])CC2)CC1,218161,synton_1,a2
269O=c1ccccn1Cc1cccc(N[U])c1,267816,synton_1,a2
270CCOc1ccc(C(C)N[U])cc1,221766,synton_1,a2
271COc1ncc(N[U])cc1C,45565,synton_1,a2
272CC(C)(C)CC(N[U])c1cccnc1,127722,synton_1,a2
273NC(=O)c1c(C2CCCCC2)csc1N[U],261322,synton_1,a2
274COCCOCCOCCN[U],37803,synton_1,a2
275[U]NCc1ccn(C2CC2)n1,242044,synton_1,a2
276CCOc1c(C)cccc1-c1nnc(N[U])s1,179305,synton_1,a2
277O=C(CN[U])NCc1ccccc1,33668,synton_1,a2
278C#CCN([U])C1CC(=O)N(c2ccc(Br)cc2)C1=O,409329,synton_1,a2
279FC(F)(F)c1cccc(CN2CCN([U])CC2)c1,253911,synton_1,a2
280Clc1ccc(C(N[U])c2ccccc2)cc1,59646,synton_1,a2
281O=C(c1ccc(OCC2CCCN([U])C2)cc1)N1CCOCC1,404859,synton_1,a2
282O=C(CN[U])NC1CCCCC1,305364,synton_1,a2
283O=[N+]([O-])c1cccc(CN[U])c1,9707,synton_1,a2
284[U]NCCCc1c[nH]c2ccccc12,38130,synton_1,a2
285OC[C@H]1O[C@@H](n2cnc3c(N([U])Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,32869,synton_1,a2
286Cc1cc(=O)[nH]c2ccc(N[U])cc12,158338,synton_1,a2
287CCC1(N[U])CCCCCC1,167119,synton_1,a2
288COC(=O)[C@@H](C)N([U])Cc1ccccc1,379244,synton_1,a2
289Clc1ccccc1CSc1ccccc1N[U],416855,synton_1,a2
290CC(C)c1noc(CN(C)[U])n1,467969,synton_1,a2
291COc1ccc(N([U])c2ccc(C)cc2)cc1,26127,synton_1,a2
292CCOC(=O)CCCN([U])C1CC1,51567,synton_1,a2
293Fc1ccc2c(c1CN[U])CCO2,20194,synton_1,a2
294Cc1c(N[U])cccc1-n1cccc1,460985,synton_1,a2
295Fc1cccc2sc(N[U])nc12,5778,synton_1,a2
296CS(=O)(=O)CC1CCCN([U])C1,228428,synton_1,a2
297Oc1ccc(CN([U])Cc2ccco2)cc1,292432,synton_1,a2
298COc1ccc(Cn2c(N[U])cc(=O)[nH]c2=O)cc1,397514,synton_1,a2
299Fc1ccc(-c2cccc(N[U])c2)cc1,363957,synton_1,a2
300OC1(c2ccc(F)cc2)CCN([U])CC1,377430,synton_1,a2
301Fc1ccc(C2CC2)c(N[U])c1,239791,synton_1,a2
302Brc1cccnc1CN[U],9012,synton_1,a2
303OCCCN1CCN([U])CC1,374706,synton_1,a2
304O=C(C1CCCO1)N1CCN([U])CC1,273759,synton_1,a2
305Cc1cccn2cc(CN[U])nc12,305416,synton_1,a2
306FC(F)(F)Oc1ccc2[nH]cc(CCN[U])c2c1,333248,synton_1,a2
307COc1cncc(N[U])c1,7732,synton_1,a2
308O=C(Cc1ccc(F)cc1)N1CCN([U])CC1,257694,synton_1,a2
309[U]N1CCCCC1C1CCCCC1,380409,synton_1,a2
310COc1ccc(C(CO)N[U])cc1,39358,synton_1,a2
311[U]N1CC2CC2C1,57908,synton_1,a2
312[U]NCc1ccc(N2CCOCC2)cc1,420040,synton_1,a2
313Brc1ccc(N([U])c2ccc(Br)cc2)cc1,55201,synton_1,a2
314CN(C)c1cccc(CN[U])c1,182258,synton_1,a2
315CCN(CCN[U])c1ccccc1C,172828,synton_1,a2
316[U]NCC1CCc2ccccc21,98986,synton_1,a2
317FC(F)(F)Oc1cccc(CN[U])c1,313430,synton_1,a2
318COc1ccccc1C1(CN[U])CCOCC1,205252,synton_1,a2
319COc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2[U])cc1,203568,synton_1,a2
320Cc1ccc(N[U])c(C(C)c2ccccc2)c1,880,synton_1,a2
321CC(C)(C)OC(=O)N1C[C@H]2CN([U])C[C@H]2C1,13968,synton_1,a2
322Cc1ccc(-c2cc(CN[U])no2)cc1,403658,synton_1,a2
323CN1C(=O)[C@@H](Cc2ccccc2)N([U])C1(C)C,63396,synton_1,a2
324CC1c2[nH]c3ccccc3c2CCN1[U],458144,synton_1,a2
325Cn1ccc2cc(N[U])ccc21,40153,synton_1,a2
326CN(C)c1ncccc1N[U],430097,synton_1,a2
327[U]N1CCN(c2ccccn2)CC1,340926,synton_1,a2
328COc1cc(N[U])c(C)cn1,42465,synton_1,a2
329[U]N(Cc1ccc2c(c1)OCCO2)C1CCCC1,121105,synton_1,a2
330O=C1Cc2ccc(N[U])cc2N1,240053,synton_1,a2
331[U]NC1CCCN(c2ncccn2)C1,233850,synton_1,a2
332COCCNC(=O)C1CCC(C)N([U])C1,207750,synton_1,a2
333COc1cc(N([U])C(C)(C)C)c([N+](=O)[O-])cc1Br,383018,synton_1,a2
334O=c1nc(N[U])ccn1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,48194,synton_1,a2
335Cc1nn(C)c(C)c1CN[U],152014,synton_1,a2
336Cc1ccc(Cl)c(N([U])Cc2ncc[nH]2)c1,218984,synton_1,a2
337CC(N[U])c1cc(F)cc(F)c1,61695,synton_1,a2
338[U]NCc1ccc2[nH]nnc2c1,234617,synton_1,a2
339CS(=O)(=O)NCCCN[U],209817,synton_1,a2
340[U]NCCC1CCOCC1,41780,synton_1,a2
341[U]N1CCCC1c1nc(C2CC2)no1,213169,synton_1,a2
342N#Cc1cnc(N[U])nc1-c1ccc(Br)cc1,311901,synton_1,a2
343[U]N1CCC2CCCCC2C1,64661,synton_1,a2
344CCn1nc(C)c(N[U])c1C,373122,synton_1,a2
345CCOc1cc(N[U])nc(OCC)n1,429402,synton_1,a2
346COc1ccc(C=C2SC(=O)N(CCN[U])C2=O)cc1OC,227321,synton_1,a2
347[U]N1CCC(c2cccs2)CC1,213083,synton_1,a2
348CC1=Nc2ccc(N[U])cc2C1(C)C,7300,synton_1,a2
349Clc1ccc(Oc2ccc(CN[U])cc2)cc1,3357,synton_1,a2
350Cc1cc(C#N)nc(C)c1N[U],7044,synton_1,a2
351OC1CCCN([U])CC1,97672,synton_1,a2
352[U]N[C@H]1C[C@@H]2CC[C@H]1C2,22416,synton_1,a2
353[U]N1C[C@H]2CC[C@@H]1C2,307285,synton_1,a2
354CCc1ccc(OCCN([U])CC)cc1,465386,synton_1,a2
355O=C(CCc1ccc(Cl)s1)N[C@H]1CC[C@H](CN[U])CC1,243182,synton_1,a2
356O=C(Nc1nccs1)c1ccc(N[U])cc1,266343,synton_1,a2
357C#CCN([U])CC=C,213699,synton_1,a2
358Cc1cccc(CN2CCC(N[U])C2)c1,230839,synton_1,a2
359CN(C)c1ccc(N[U])cc1Br,12038,synton_1,a2
360CN(C)CCN[U],9330,synton_1,a2
361OCC(CO)N[U],26265,synton_1,a2
362CC1CCN(C(=O)c2ccc(N[U])cc2)CC1,154466,synton_1,a2
363COC(=O)[C@@H]1CN([U])C[C@H]1c1ccc(Cl)cc1,226370,synton_1,a2
364CC1CCCCCN1[U],154321,synton_1,a2
365CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[U],65514,synton_1,a2
366CC(C)(C)c1ccc2nc(N[U])sc2c1,391428,synton_1,a2
367[U]N1CCn2c(nnc2C2CC2)C1,229500,synton_1,a2
368Cc1ccccc1C1(CN[U])CCCCC1,162563,synton_1,a2
369FC(F)(F)Oc1ccc(CN[U])cc1Cl,313743,synton_1,a2
370CN(C)S(=O)(=O)c1ccc2c(c1)N([U])CC2,182985,synton_1,a2
371Clc1cccc(Cl)c1Cc1cnc(N[U])s1,238947,synton_1,a2
372O=[N+]([O-])c1ccc(N2CCN([U])CC2)cc1,452596,synton_1,a2
373Clc1cc(N[U])ccc1N1CCCCCC1,417887,synton_1,a2
374COC(=O)c1ccc2c(c1)CCN2[U],101165,synton_1,a2
375C[C@@H](O)[C@H](N[U])C(N)=O,30909,synton_1,a2
376Cc1ccc(C(F)(F)F)c(CN[U])c1,319072,synton_1,a2
377O=c1cc(N[U])n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]1,406030,synton_1,a2
378O=[N+]([O-])c1ccc(N2CCCC2)cc1N[U],314012,synton_1,a2
379CC(C)(CN[U])c1ccccc1,95548,synton_1,a2
380Cc1nc(CN(C)[U])nc2ccccc12,190167,synton_1,a2
381Ic1ccc(-c2csc(N[U])n2)cc1,5692,synton_1,a2
382Fc1ccc(N[U])cc1,46709,synton_1,a2
383Fc1cc(CN[U])ccc1Cl,241817,synton_1,a2
384C[C@H](N[U])c1ccccn1,108346,synton_1,a2
385CCN([U])Cc1ccc(CN(C)C)cc1,174475,synton_1,a2
386COc1ccc(CCN[U])nc1,45043,synton_1,a2
387CC(N[U])c1cc(F)ccc1F,4042,synton_1,a2
388Brc1ccc(N[U])c2cccnc12,52729,synton_1,a2
389CN(C)CC1(O)CCCN([U])C1,231517,synton_1,a2
390CCN([U])C1CCN(C(C)=O)C1,415985,synton_1,a2
391CN(C)CCCOc1cccc(N[U])c1,182682,synton_1,a2
392Cc1nc(N([U])c2ccc(Cl)cc2Cl)[nH]c(=O)c1C,406328,synton_1,a2
393CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N[U])C2,418112,synton_1,a2
394CS(=O)(=O)OCCN([U])c1ccc([N+](=O)[O-])cc1,431663,synton_1,a2
395COc1ccc(C(C)N(C)[U])cc1,188903,synton_1,a2
396COCCCN([U])Cc1ccccc1OC,428301,synton_1,a2
397COCCCSc1ccc(N[U])cc1,207517,synton_1,a2
398[U]Nc1ccc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1,332769,synton_1,a2
399OC12CC3CC(C1)C(N[U])C(C3)C2,239032,synton_1,a2
400COC[C@H](C)N[U],47239,synton_1,a2
401CCCCCCCc1ccc(N[U])cc1,323614,synton_1,a2
402O=S(=O)(c1ccc2c(c1)CCN2[U])N1CCOCC1,277338,synton_1,a2
403CC(C)c1ccc(CCCN[U])cc1,138753,synton_1,a2
404O=[N+]([O-])c1ccc(Oc2ccc(N[U])cc2)cc1,324585,synton_1,a2
405[U]NCC1COCCO1,29830,synton_1,a2
406CC(C)c1cnc(N[U])s1,31440,synton_1,a2
407O=[N+]([O-])c1ccccc1CN1CCN([U])CC1,454909,synton_1,a2
408OCCN([U])C/C=C/c1ccccc1,387851,synton_1,a2
409FC(F)(F)c1ccc(N2CCN([U])CC2)nc1,4182,synton_1,a2
410Cc1ccc2c(c1)C(N[U])CC(C)(C)O2,405062,synton_1,a2
411O=C(Nc1cc(N[U])ccc1Cl)C1CC1,266940,synton_1,a2
412FC(F)(F)c1cccc(-c2ccccc2N[U])c1,315891,synton_1,a2
413CN(C)c1cccc(C2CCCN2[U])c1,182254,synton_1,a2
414Oc1ccc2c(c1)CN([U])CC2,67507,synton_1,a2
415CN([U])Cc1csc(-c2ccccc2)n1,232323,synton_1,a2
416CN(C)c1cccc(N[U])c1,5527,synton_1,a2
417Clc1ccc(-c2ccnc(N[U])n2)cc1,333516,synton_1,a2
418CN([U])Cc1cc(-c2ccco2)on1,479746,synton_1,a2
419O=[N+]([O-])c1ccccc1CN([U])C1CCCc2ccccc21,464974,synton_1,a2
420O=[N+]([O-])c1cccc(-c2nnc(N[U])s2)c1,21493,synton_1,a2
421COCCN([U])C1CCN(C(=O)OC(C)(C)C)CC1,22860,synton_1,a2
422CCN(CC)c1c(Cl)cccc1N[U],427744,synton_1,a2
423C[C@H](N[U])C(N)=O,12148,synton_1,a2
424Clc1ccc(CSCc2nnc(N[U])s2)cc1,394431,synton_1,a2
425CP(C)(=O)c1ccccc1N[U],9202,synton_1,a2
426Fc1cccc(Cl)c1Cn1ccc2c(N[U])cccc21,408832,synton_1,a2
427CCC1(C#N)CCN([U])CC1,219962,synton_1,a2
428COc1ccc(CN([U])CC(F)(F)F)cc1,3487,synton_1,a2
429CCC(CC)CN([U])CCC#N,166377,synton_1,a2
430CC(C)(N[U])c1ccc(Cl)cc1,112210,synton_1,a2
431[U]N(CCCN1CCOCC1)Cc1ccco1,398328,synton_1,a2
432Cc1ccc(C)c(NC(=O)CCSc2nnc(N[U])s2)c1,405494,synton_1,a2
433O=[N+]([O-])c1cc(C(F)F)ccc1N[U],35653,synton_1,a2
434CC1CCN(CCN([U])C(C)C)CC1,417614,synton_1,a2
435CN([U])Cc1ccc2c(c1)CCN2C,313624,synton_1,a2
436Cc1cc(CN[U])c2[nH]c(C)c(C)c2c1,164552,synton_1,a2
437CCN([U])Cc1cccc(OC)c1OC,388012,synton_1,a2
438CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)[U],189349,synton_1,a2
439CCOC(=O)[C@H]1C[C@H](C)CCN1[U],14868,synton_1,a2
440CN([U])Cc1cscc1Br,97267,synton_1,a2
441CCN([U])CC1CC1,174462,synton_1,a2
442Cc1cc(F)ccc1N([U])Cc1ccc(C#N)cc1,157836,synton_1,a2
443CN([U])CCCN1CCCCCC1,427597,synton_1,a2
444[U]NCc1cccc2c1OCCO2,341497,synton_1,a2
445CC1(C)CN(Cc2ccccc2)CCC1N[U],67221,synton_1,a2
446CCCN1CC(N[U])CC1=O,220528,synton_1,a2
447[U]N1CCCC(C2CCCCC2)C1,429818,synton_1,a2
448[U]NCCCOc1ccccc1,271148,synton_1,a2
449O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[U])cc1,242858,synton_1,a2
450Cc1cc(C)c(S(C)(=O)=O)cc1N[U],318645,synton_1,a2
451O=C1NCCN1CCN[U],40943,synton_1,a2
452N#Cc1ccc(CN[U])s1,99688,synton_1,a2
453Cc1ccc(C2CCCN2[U])cc1C,159560,synton_1,a2
454CN(C)c1ncc2c(n1)CCN([U])C2,45648,synton_1,a2
455OCC1(N[U])CCCC1,39791,synton_1,a2
456COc1cc(N[U])c(Cl)c(OC)c1,42264,synton_1,a2
457OC(CN[U])c1ccc(Cl)cc1,269538,synton_1,a2
458Cc1ncc(C[n+]2csc(CCO)c2C)c(N[U])n1,322000,synton_1,a2
459Brc1cnc2c(N[U])n[nH]c2c1,15685,synton_1,a2
460CCN([U])Cc1ccccc1Cl,174490,synton_1,a2
461O=C1CCC2CN([U])CCN12,235506,synton_1,a2
462[U]N1CC[C@H](c2ccccc2)C1,9904,synton_1,a2
463Cc1nc2ccccn2c1CN[U],164136,synton_1,a2
464Cc1cc(CN[U])ccc1Oc1ccc(F)cc1,218625,synton_1,a2
465Fc1ccc(CN[U])cc1Br,270384,synton_1,a2
466Clc1ccccc1CSCCCN[U],430819,synton_1,a2
467CN([U])C1CC1,306033,synton_1,a2
468OCCCSc1ccc(N[U])cc1,267359,synton_1,a2
469COc1c(F)cc(F)cc1N[U],29082,synton_1,a2
470O[C@]12C[C@@H]3C[C@H](C1)[C@H](N[U])[C@@H](C3)C2,428880,synton_1,a2
471CCOC(=O)NC1CCN([U])CC1,379481,synton_1,a2
472COC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1[U],10517,synton_1,a2
473[U]Nc1cccc2cc[nH]c12,58876,synton_1,a2
474Cc1cc(N[U])n(-c2ccc(Cl)c(Cl)c2)n1,158028,synton_1,a2
475CCCC1(N[U])CC1,448643,synton_1,a2
476CCOC(=O)C1c2ccc(O)cc2CCN1[U],99994,synton_1,a2
477Fc1cccc(F)c1C1CCCN1[U],1646,synton_1,a2
478CCCCCOc1ccc(N[U])cc1,220446,synton_1,a2
479COCCCN([U])Cc1ccc(OC)cc1,428303,synton_1,a2
480C[C@@H](CO)N([U])c1ccc([N+](=O)[O-])cn1,325267,synton_1,a2
481N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(N[U])s1,430416,synton_1,a2
482CN([U])Cc1ccc(C(C)(C)C)cc1,117003,synton_1,a2
483CCNC(=O)CN[U],174077,synton_1,a2
484COC(=O)C1CCN([U])CC1,47740,synton_1,a2
485C#CCN([U])C(C)c1cccc(Br)c1,315206,synton_1,a2
486COc1ccc(N2CCN(S(=O)(=O)CCN[U])CC2)cc1,201658,synton_1,a2
487CC(C)(C)OC(=O)N1CCC(N([U])c2ccc(Br)cc2)CC1,103312,synton_1,a2
488O=C(NCCCN1CCOCC1)C1CCN([U])CC1,235485,synton_1,a2
489Clc1cccc2c1CN([U])CC2,42058,synton_1,a2
490Clc1ccccc1Oc1ccc(N[U])cc1,267242,synton_1,a2
491COc1cc(C)c(-c2csc(N[U])n2)cc1C,336359,synton_1,a2
492Cc1ccc(C(=O)NCCN[U])cc1F,159662,synton_1,a2
493Brc1ccc2c(c1)CCC2N[U],239366,synton_1,a2
494O=C(Nc1cccc(F)c1)C1CSCN1[U],258617,synton_1,a2
495Clc1ccc(-c2nc(CSc3nnc(N[U])s3)co2)cc1,384354,synton_1,a2
496O=[N+]([O-])c1cc2c(N([U])c3ccc(F)c(Cl)c3)ncnc2cc1S(=O)(=O)c1ccccc1,19895,synton_1,a2
497CCC(Cn1ccnc1)N[U],427081,synton_1,a2
498COc1ccc([N+](=O)[O-])c(N[U])c1,42651,synton_1,a2
499CC(C)Oc1ccc(N[U])cc1,32219,synton_1,a2
500CN(C)[C@@H]1CCCC[C@H]1N[U],13155,synton_1,a2
501COc1ccccc1OCc1ccccc1N[U],205632,synton_1,a2
502CCOC(=O)N1CCC(N(C)[U])CC1,395125,synton_1,a2
503CC(C)(O)CN([U])Cc1ccccc1,19039,synton_1,a2
504Clc1cccc(Cl)c1Cc1cnc(N[U])s1,264391,synton_1,a2
505CC(C)N(CCCN[U])S(C)(=O)=O,140396,synton_1,a2
506N#Cc1cc(N[U])ncc1Cl,113452,synton_1,a2
507Fc1cc(Cl)ccc1CCN[U],339820,synton_1,a2
508CCCN([U])c1cc(Cl)cc(Cl)c1,396497,synton_1,a2
509[U]N1CCC(COc2cccnc2)CC1,121238,synton_1,a2
510O=c1cc(N[U])nc(C2CC2)[nH]1,61750,synton_1,a2
511Cc1cc(C)cc(-n2nc(C)cc2N[U])c1,158015,synton_1,a2
512[U]Nc1cccc(CN2CCCC2)c1,431459,synton_1,a2
513O=C(Cn1cc(N[U])cn1)NC1CCCC1,479766,synton_1,a2
514O=C(NCCN[U])c1cnccn1,235089,synton_1,a2
515Cc1nccn1Cc1ccc(N[U])cc1,151770,synton_1,a2
516CC1CC1C(=O)N1CCN([U])CC1,153676,synton_1,a2
517COC(=O)c1cccc2c1CN([U])CC2,7192,synton_1,a2
518[U]NCc1cc2ccccc2[nH]1,413847,synton_1,a2
519COCCNC(=O)CN1CCN([U])CC1,207769,synton_1,a2
520CCOC(=O)CN(C)[U],34650,synton_1,a2
521CN1CCCc2ccc(N[U])cc21,109545,synton_1,a2
522[U]NCc1ccnc2ccccc12,58927,synton_1,a2
523[U]Nc1ncc2c(n1)CCN(Cc1ccccc1)C2,99687,synton_1,a2
524O=[N+]([O-])c1ccc(O)c(CN[U])c1,241633,synton_1,a2
525COc1ccc(N[U])cc1NC(=O)c1ccco1,460095,synton_1,a2
526CCN([U])C1CCOC(C)(C)C1,220976,synton_1,a2
527CS(=O)(=O)CC1CCN([U])CC1,228430,synton_1,a2
528COc1cccc(OCCCN[U])c1,394826,synton_1,a2
529O=C1Nc2ccc(F)cc2C2(CCN([U])CC2)O1,237013,synton_1,a2
530[U]Nc1cccc(OCCN2CCCC2)c1,267989,synton_1,a2
531Cc1cc(F)ccc1CC1CCN([U])CC1,443635,synton_1,a2
532[U]NCc1cn(Cc2ccccc2)nc1-c1ccccc1,269870,synton_1,a2
533CS(=O)(=O)N1CCN([U])CC1,33385,synton_1,a2
534F[C@H]1CCN([U])C1,307491,synton_1,a2
535O=C1c2ccccc2C(=O)N1CCN[U],305394,synton_1,a2
536CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(F)c(N[U])nc1=O,36201,synton_1,a2
537COc1ccc(-c2nnc(N[U])s2)cc1,52272,synton_1,a2
538O=[N+]([O-])c1cccc(N[U])c1,13746,synton_1,a2
539C=CC1CN([U])C1,278602,synton_1,a2
540O=S(=O)(CCN1CCN([U])CC1)c1ccc(Br)cc1,118814,synton_1,a2
541Cc1noc(C)c1CN([U])c1ccccc1,153040,synton_1,a2
542OCCN1CCN([U])CC1,57369,synton_1,a2
543CC(C)(C)OC(=O)N1CCCCC12CCCN([U])C2,55698,synton_1,a2
544CN(C)Cc1ccc(CN[U])cc1,28655,synton_1,a2
545COc1ccc(F)cc1CC1CCCN([U])C1,444135,synton_1,a2
546[U]N1CCN(C2CCCCCC2)CC1,313390,synton_1,a2
547Cc1ccc(F)cc1NC(=O)C(C)N[U],464148,synton_1,a2
548Cc1nc(N[U])cc(C(C)C)n1,96194,synton_1,a2
549O=S(=O)(CCN[U])N1CCCCCC1,404891,synton_1,a2
550[U]Nc1ccnc2[nH]ccc12,361879,synton_1,a2
551Cc1ccc(-n2nc(C)cc2N[U])c(C)c1,158026,synton_1,a2
552COc1ccc(C(C)N[U])cc1Br,201755,synton_1,a2
553OCCC1CCCN([U])C1,108410,synton_1,a2
554CN([U])Cc1nnc2ccccn12,232340,synton_1,a2
555CC1(C)[C@@H]2CC[C@@]1(C)C(N[U])C2,418461,synton_1,a2
556Fc1ccc(N[U])cc1-c1nnc2n1CCCCC2,266988,synton_1,a2
557COc1ccc(NC(C)=O)cc1N[U],48919,synton_1,a2
558CC(C)(C)OC(=O)N[C@@H]1CCN([U])C1,53875,synton_1,a2
559COCC(=O)N1CCN([U])CC1,206271,synton_1,a2
560[U]N1CCc2sccc2C1c1ccccc1,121839,synton_1,a2
561Cc1ccc(-c2cccc(N[U])c2)cc1,218818,synton_1,a2
562FC(F)Oc1cccc(CN[U])c1,50378,synton_1,a2
563N#Cc1c[nH]c2cc(N[U])ccc12,56390,synton_1,a2
564COc1ccccc1CN([U])CCCO,227750,synton_1,a2
565Fc1ccc(CCCN[U])cc1,49452,synton_1,a2
566C#Cc1nccnc1N[U],23465,synton_1,a2
567COC(COCCN[U])OC,104769,synton_1,a2
568Fc1ccc(OCCN[U])cc1,18992,synton_1,a2
569CC1CN(C)CCN1[U],94462,synton_1,a2
570CN([U])Cc1cccc2ccccc12,5077,synton_1,a2
571CN(C)CC(O)COc1ccc(N[U])cc1,182481,synton_1,a2
572Cc1ccc(OCCN[U])cc1C,383595,synton_1,a2
573Cc1cnc2n1CCN([U])C2,24651,synton_1,a2
574COC(=O)c1cnc(F)cc1N([U])C(C)C,312320,synton_1,a2
575CC(C)(C)NC(=O)c1ccc(N[U])cc1Cl,427743,synton_1,a2
576Clc1cc(Cl)cc(C2(N[U])CC2)c1,449587,synton_1,a2
577CCCN([U])Cc1ccc(F)cc1,171754,synton_1,a2
578[U]N1CCC2(CCOCC2)C1,121762,synton_1,a2
579Cc1nccn1-c1ccccc1CN[U],151754,synton_1,a2
580CCOC(=O)c1csc(N([U])c2ccccc2)n1,102050,synton_1,a2
581COC(=O)[C@@H]1CC(F)(F)CN1[U],417287,synton_1,a2
582CC(C)(CN[U])c1cccc(Cl)c1,136615,synton_1,a2
583CCO[Si](CCCN[U])(OCC)OCC,59473,synton_1,a2
584O=C1CN([U])[C@H](c2ccccc2)CO1,244527,synton_1,a2
585OCCC(N[U])c1ccc2c(c1)OCO2,238147,synton_1,a2
586NC(=O)c1cccc(NC(=O)CN[U])c1,240543,synton_1,a2
587CC(C)(C)c1cccc(CN[U])c1,116586,synton_1,a2
588Fc1ccc(CCN[U])c(F)c1,270887,synton_1,a2
589CC(C)CC1COCCN1[U],139448,synton_1,a2
590C#CCN(C)[U],189722,synton_1,a2
591CC(Cc1ccsc1)N[U],47037,synton_1,a2
592[U]NC1CCCCCCCCCCC1,17030,synton_1,a2
593CC(C)N([U])Cc1cc(Cl)ccc1Br,104328,synton_1,a2
594O=S(=O)(Nc1ccc(Br)cc1)c1cc(F)ccc1N[U],267043,synton_1,a2
595CC(C)CN([U])Cc1cccc(F)c1,140058,synton_1,a2
596CCc1nsc(N[U])n1,373208,synton_1,a2
597COc1cccc(CN[U])c1OC1CCCC1,204830,synton_1,a2
598Oc1cccc2c1CCN2[U],246476,synton_1,a2
599COc1ccc(CN([U])Cc2cccc3ccccc23)cc1,463796,synton_1,a2
600O=S(=O)(c1cccnc1)N1CCN([U])CC1,277333,synton_1,a2
601O=c1c2c([nH]c3ccc(F)cc13)CCN([U])C2,233389,synton_1,a2
602Fc1ccc(N2CCN([U])CC2)cc1,359285,synton_1,a2
603Cc1cc(Cl)ccc1OCCN1CCN([U])CC1,466111,synton_1,a2
604[U]Nc1nc(-c2cc3ccccc3o2)cs1,107836,synton_1,a2
605COc1ccc(CC2CCCN2[U])cc1,479798,synton_1,a2
606O=C(NCc1ccccc1F)c1ccc(N[U])cc1,266356,synton_1,a2
607C[C@H](N[U])c1ccccc1Br,32675,synton_1,a2
608OC1CCCCC1CN[U],270082,synton_1,a2
609CCC1CCCN([U])CC1,167912,synton_1,a2
610Cc1n[nH]c(CN[U])n1,101830,synton_1,a2
611[U]N[C@H](c1ccccc1)[C@@H](c1ccccc1)P(c1ccccc1)c1ccccc1,31888,synton_1,a2
612CNC(=O)CCN(C)[U],190173,synton_1,a2
613CN(C)C(=O)Cn1cc(N[U])cn1,181650,synton_1,a2
614[U]NCc1cccc(OCc2ccccn2)c1,270538,synton_1,a2
615CC(C)N(C)CCCN[U],140351,synton_1,a2
616Brc1ccc(Sc2ccc(N[U])cc2)cc1,240030,synton_1,a2
617CCOc1cc(C(CS(C)(=O)=O)N[U])ccc1OC,5371,synton_1,a2
618CCc1nc2c(C)cc(Br)cn2c1N(C)[U],52366,synton_1,a2
619Cn1c(C(=O)NCCN[U])cc(Br)c1Br,184477,synton_1,a2
620[U]NCc1ccc(-c2nc3ccccc3[nH]2)cc1,270295,synton_1,a2
621O[C@H]1CCCC[C@H]1N[U],29196,synton_1,a2
622C=CCCN[U],418759,synton_1,a2
623CC(C)(C)OC(=O)CC1CCN([U])CC1,214247,synton_1,a2
624CC1(C)CN=C(N2CCN([U])CC2)S1,146354,synton_1,a2
625COc1ccc(CN([U])C2CC2)c(OC)c1,227384,synton_1,a2
626CCN([U])c1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1,309476,synton_1,a2
627CCO[Si](C)(CCCN[U])OCC,19394,synton_1,a2
628COc1ccc(N[U])cc1N1CCCCC1=O,203446,synton_1,a2
629COCC(C)N[U],325451,synton_1,a2
630CC(C)(C)CCN1CCN([U])CC1,127801,synton_1,a2
631Fc1ccccc1SCCN[U],271361,synton_1,a2
632CN1CCN(C(=O)C2CCN([U])CC2)CC1,337202,synton_1,a2
633OCCCC1CCCN1[U],295287,synton_1,a2
634[U]NCc1cccc(N2CCCCC2)c1,313876,synton_1,a2
635Clc1ccc(C2=CCN([U])CC2)cc1,34431,synton_1,a2
636[U]N1CCC2(CCO2)CC1,417301,synton_1,a2
637CC(C)(C)OC(=O)N1CCN([U])c2ccc(Br)cc2C1,132105,synton_1,a2
638OC[C@@H]1CN([U])CC[C@H]1c1ccc(F)cc1,246758,synton_1,a2
639Cc1cccc(N2CCN(CCN[U])CC2)c1C,162200,synton_1,a2
640COc1cccc(CN([U])CC(C)C)c1,339873,synton_1,a2
641Fc1cccc(-c2cccc(N[U])c2)c1,314548,synton_1,a2
642COc1cccc(C(CO)N[U])c1,95329,synton_1,a2
643Brc1cccc(C2CCN([U])CC2)c1,94707,synton_1,a2
644[U]N(C1CCOCC1)C1CC1,95922,synton_1,a2
645Fc1ccc(-c2ccccc2N[U])cc1,240211,synton_1,a2
646CC(C)N([U])c1ccc(F)cc1Cl,141028,synton_1,a2
647Cc1ccnc(C(C)N[U])c1,116525,synton_1,a2
648Cc1cc(CN[U])on1,14053,synton_1,a2
649[U]N1CCO[C@@H](Cc2ccccc2)C1,65149,synton_1,a2
650OCCN([U])C1CCCCC1,31707,synton_1,a2
651Cc1cc(OCc2cccc(C#N)c2)ccc1N[U],218734,synton_1,a2
652CCN(CC)c1ccc(N[U])cc1,454742,synton_1,a2
653CC(c1nc(-c2ccc(Cl)cc2)no1)N1CCN([U])CC1,144120,synton_1,a2
654S=c1[nH]nc(N([U])c2ccccc2)n1-c1ccccc1,398338,synton_1,a2
655CCOC(=O)CCN(C(=O)c1ccc(N(C)[U])c([N+](=O)[O-])c1)c1ccccn1,13953,synton_1,a2
656O=c1cccc2n1CCN2[U],420001,synton_1,a2
657[U]Nc1cccc(-c2cn3ccccc3n2)c1,267660,synton_1,a2
658Brc1cccnc1N1CCN([U])CC1,387918,synton_1,a2
659CN([U])CCN1CCN(C(=O)OC(C)(C)C)CC1,21597,synton_1,a2
660CC(C)CCN1Cc2cccc(N[U])c2C1,139688,synton_1,a2
661[U]Nc1cccc2cnccc12,10592,synton_1,a2
662Cc1nc(C(F)(F)F)c(CN[U])s1,37390,synton_1,a2
663CCOc1cccc2cc(C(C)N[U])oc12,180104,synton_1,a2
664COc1ccccc1OC1CCN([U])CC1,315694,synton_1,a2
665[U]NCC1Cc2ccccc2O1,306977,synton_1,a2
666N#Cc1cccc2c1CCN2[U],100448,synton_1,a2
667CCCN([U])CC1CC1,171747,synton_1,a2
668Clc1cncc(Cl)c1CN[U],241590,synton_1,a2
669O=C(Nc1ccccn1)C1CCN([U])CC1,274173,synton_1,a2
670[U]N1CCC2(CCOCC2)C1,62410,synton_1,a2
671CCC1(CC)CCN([U])C1,166977,synton_1,a2
672COc1ccccc1CN([U])Cc1cccnc1,463415,synton_1,a2
673COc1cc(OC)c(OC)cc1N[U],200652,synton_1,a2
674CN([U])CC(=O)Nc1ccc2c(c1)OCCO2,223951,synton_1,a2
675O[C@@H]1COC[C@H]1N[U],243750,synton_1,a2
676[U]Nc1ccc(Oc2ncccn2)cc1,39249,synton_1,a2
677CC(C)CCCN[U],215340,synton_1,a2
678O=C(NCc1ccccc1Cl)C1CCN([U])CC1,460324,synton_1,a2
679Cc1cc(C)c(-c2nc(N[U])sc2C)cc1C,165064,synton_1,a2
680[U]N1CCCC1c1ccncc1,213425,synton_1,a2
681O=C(NC1CC1)c1ccc(CN[U])cc1,241715,synton_1,a2
682Cc1ccc(C(=O)NCCN[U])cc1,218783,synton_1,a2
683CC(C)(C)C(N[U])C(F)(F)F,213967,synton_1,a2
684Cc1cc(N[U])c2ccc(Cl)cc2n1,157927,synton_1,a2
685CC(C)N1CCCc2cc(CN(C)[U])ccc21,464043,synton_1,a2
686OC1(CN[U])C2CC3CC(C2)CC1C3,241016,synton_1,a2
687CN(CCN[U])Cc1ccccc1C#N,36033,synton_1,a2
688[U]NCc1cc2ccccc2s1,58009,synton_1,a2
689Brc1ccc2c(c1)N([U])CCO2,100103,synton_1,a2
690CCN([U])CCSc1ccccc1,417914,synton_1,a2
691CN1CC[C@@H]2CC[C@H](C1)N2[U],232107,synton_1,a2
692CCN([U])CCOc1ccc(C)cc1,417963,synton_1,a2
693C#CCOc1ccccc1CN(C)[U],224341,synton_1,a2
694Clc1ccccc1CN([U])C1CC1,236026,synton_1,a2
695O=C1NCCN1CCN[U],334399,synton_1,a2
696NC(=O)C1CCCN(Cc2cccc(CN[U])c2)C1,270487,synton_1,a2
697FC(F)(F)C(N[U])C1CC1,50406,synton_1,a2
698CC(C)C(N[U])C(=O)N(C)C,215032,synton_1,a2
699O=S(=O)(CCN[U])c1ccc(F)cc1,242976,synton_1,a2
700CC(C)CCCC(C)CCN[U],215336,synton_1,a2
701CCOC(=O)CCN([U])Cc1cccnc1,178289,synton_1,a2
702CN([U])c1ccc(OCC[N+](C)(C)C)cc1,246995,synton_1,a2
703CCOc1cc(N([U])CC)c([N+](=O)[O-])cc1Br,379811,synton_1,a2
704CCc1cc(Br)cc(N[U])c1,64062,synton_1,a2
705CC(CCN[U])N1CCCC1,49525,synton_1,a2
706COCCN([U])Cc1ccccc1OC,388099,synton_1,a2
707Fc1c(CN[U])cccc1OC(F)(F)F,314098,synton_1,a2
708CN1CCCC(N[U])C1,30382,synton_1,a2
709N#Cc1cccc(N[U])c1,361298,synton_1,a2
710O=c1nc(N[U])ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O,25596,synton_1,a2
711C#CCCN([U])c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,47571,synton_1,a2
712NC(=O)C1CCN([U])C1,14362,synton_1,a2
713CC(C)COc1ccc(CN[U])cc1,55669,synton_1,a2
714O=C(CN[U])NCCc1ccccc1,240563,synton_1,a2
715[U]Nc1cccc2scnc12,10625,synton_1,a2
716Cc1c(N[U])cnn1C,97669,synton_1,a2
717Cc1ccccc1CN([U])C1CCCCC1,460925,synton_1,a2
718COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N[U])c2cc1OC,57463,synton_1,a2
719C[C@H](N[U])c1ccc(F)cc1F,54234,synton_1,a2
720Cc1cc(C)c2nc(N([U])c3nc(C)cc(=O)[nH]3)nc(C)c2c1,406366,synton_1,a2
721COc1ccc(OC2CCCN([U])C2)cc1,432412,synton_1,a2
722OC(CN[U])c1cccc(Br)c1,240758,synton_1,a2
723N#CC1CCCN([U])C1,375060,synton_1,a2
724[U]N(c1ccccc1)C1Cc2ccccc2C1,121471,synton_1,a2
725N#Cc1cccc(Oc2ccc(N[U])cn2)c1,267222,synton_1,a2
726Brc1nc2c(s1)CN([U])CC2,302134,synton_1,a2
727CC(C)CCC(C)N[U],215329,synton_1,a2
728CN([U])Cc1ccc2c(c1)OCO2,190105,synton_1,a2
729CCOC(=O)C1CCCCN1[U],50527,synton_1,a2
730CC1c2ccccc2CCN1[U],6155,synton_1,a2
731CN(C)C(=O)COc1ccc(N[U])cc1Cl,181681,synton_1,a2
732Cc1ccc(C(=O)N2CCC(N[U])CC2)cc1,158914,synton_1,a2
733[U]NCc1nnc2n1CCCC2,234437,synton_1,a2
734CCCN([U])Cc1cccc(OC)c1,388079,synton_1,a2
735CCC(CC)N([U])Cc1ccc(OC)c(OC)c1OC,463788,synton_1,a2
736Fc1ccc(CN2CCN([U])CC2)c(F)c1,233380,synton_1,a2
737CCC(CN[U])Cc1ccccc1,406064,synton_1,a2
738COc1cc(F)ccc1CN[U],227046,synton_1,a2
739C[C@@H](c1ccccc1)N([U])c1ccc([N+](=O)[O-])cn1,45052,synton_1,a2
740N#Cc1c(O)csc1N[U],2924,synton_1,a2
741CCn1nc(C)c(Cl)c1N[U],386154,synton_1,a2
742[U]NCCC1CCN(Cc2ccccc2)CC1,406298,synton_1,a2
743[U]NC1c2ccccc2-c2ccccc21,38777,synton_1,a2
744[U]Nc1ccc(-c2ccccc2)cc1,266437,synton_1,a2
745C=CCN([U])C1CCCCCCC1,213697,synton_1,a2
746Cc1cc(N[U])nn1Cc1ccccc1,110407,synton_1,a2
747CN([U])Cc1cccc2cccnc12,224326,synton_1,a2
748Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N[U],18338,synton_1,a2
749CC(C)(CO)c1ccc(N[U])cc1,214785,synton_1,a2
750Fc1ncccc1CN[U],38424,synton_1,a2
751CCN(Cc1ccccc1)C1CCN([U])CC1,465172,synton_1,a2
752COc1ccc(C2(CN[U])CCCCC2)cc1,201307,synton_1,a2
753COC(=O)[C@H]1CCCN([U])C1,4524,synton_1,a2
754C#CCOC1CCCN([U])C1,212854,synton_1,a2
755Cc1c(N[U])cccc1OCC(F)(F)F,155804,synton_1,a2
756CCCN([U])CC(=O)OCC,171739,synton_1,a2
757CN([U])CC1CCN(C(=O)OC(C)(C)C)CC1,13778,synton_1,a2
758Oc1cccc2c1CCC2N[U],265015,synton_1,a2
759CN([U])c1c(Br)cc(C#N)cc1[N+](=O)[O-],403183,synton_1,a2
760O=C(N1CCCC(CN[U])C1)C(F)(F)F,241503,synton_1,a2
761Cc1cccc(CN[U])n1,97834,synton_1,a2
762OC[C@@H]1CCN([U])C1,43803,synton_1,a2
763Cn1ccnc1C(N[U])c1ccccc1,468913,synton_1,a2
764C[C@H](N[U])c1ccc(O)cc1,117763,synton_1,a2
765O=S(=O)(c1ccc2c(c1)CCC2)N1CCN([U])CC1,277330,synton_1,a2
766Fc1cc(N[U])cc(Br)c1OCc1ccccc1,386642,synton_1,a2
767CCOC(=O)c1cc2n(n1)C(C(F)(F)C(F)(F)F)CC(C)N2[U],176964,synton_1,a2
768[U]N1CCCC1c1ccc2c(c1)OCCO2,122088,synton_1,a2
769O=C(NC1CC1)C1CCN([U])CC1,274103,synton_1,a2
770CC1CCCCC1N[U],154288,synton_1,a2
771CCc1cccc(N([U])CC)c1,174347,synton_1,a2
772O=C1CC(N([U])CC2CC2)C(=O)N1c1ccc(F)cc1,409332,synton_1,a2
773Cc1ccc(N([U])c2ccccc2)c(C)c1,5272,synton_1,a3
774CCOC(=O)/C=C(/C[U])OCC,443131,synton_2,a3
775[U]Cc1cncn1Cc1ccccc1,236124,synton_2,a3
776O=[N+]([O-])c1ccc(C[U])cc1I,459604,synton_2,a3
777[U]CC1CC1,23291,synton_2,a3
778O=Cc1coc2c(C[U])cc(Br)cc2c1=O,251356,synton_2,a3
779Cc1ccc(-c2noc(C(C)(C)C[U])n2)cc1,389017,synton_2,a3
780Fc1ccccc1-c1ccc(C[U])cc1,47852,synton_2,a3
781CC(C)(C)[Si](C)(C)OCCCCCC[U],471396,synton_2,a3
782CCC([U])C(=O)N1CCc2ccccc21,402999,synton_2,a3
783CC(NC(=O)C[U])c1ccc(Cl)cc1Cl,144239,synton_2,a3
784C=CCN(CC=C)C(=O)C[U],250524,synton_2,a3
785CCC(F)(F)C(F)(F)[U],319128,synton_2,a3
786COc1cc(NC(=O)C[U])cc(OC)c1OC,200512,synton_2,a3
787CC(=O)c1cc(Cl)cc(C[U])c1O,123883,synton_2,a3
788O=C(C[U])NCc1cccc(N2CCCC2=O)c1,250899,synton_2,a3
789COc1cccc(C[U])c1,54738,synton_2,a3
790CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[U],479790,synton_2,a3
791CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC[U],49783,synton_2,a3
792Clc1ccccc1OCC[U],249763,synton_2,a3
793Cc1ccc(NC(=O)CC[U])c(C)c1,395166,synton_2,a3
794Cc1cc(C(=O)C[U])c(C)n1CCC(C)C,139670,synton_2,a3
795O=C(C[U])Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1,250673,synton_2,a3
796Cc1ccc(-c2nc(C[U])no2)cc1,159031,synton_2,a3
797CC(C[U])N1CCCC1,402854,synton_2,a3
798O=C(C[U])N1CCN(C2CCS(=O)(=O)C2)CC1,236058,synton_2,a3
799Clc1ccc(Br)cc1C[U],60087,synton_2,a3
800O=C(C[U])Nc1ccc(OCc2ccccc2)cc1,50706,synton_2,a3
801O=[N+]([O-])c1ccc(C[U])cc1,300863,synton_2,a3
802CC1(C)Cc2cccc(C[U])c2O1,145872,synton_2,a3
803CCOc1ccc(OC(=O)C[U])cc1,179959,synton_2,a3
804Cc1ccc2nc(-c3ccc(NC(=O)C[U])cc3)sc2c1,161537,synton_2,a3
805COc1ccccc1-c1ncc(C[U])s1,404073,synton_2,a3
806CC([U])C(=O)Nc1ccc(Cl)cc1C(F)(F)F,452802,synton_2,a3
807Cc1c[nH]nc1C[U],217596,synton_2,a3
808Clc1ccc(CC[U])cc1,62444,synton_2,a3
809CC1(C)OB(c2ccc(C[U])cc2)OC1(C)C,3032,synton_2,a3
810O=C(CC[U])N1CCCC1,251577,synton_2,a3
811Brc1c(I)cccc1C[U],108712,synton_2,a3
812CCCCc1ccc(NC(=O)C[U])cc1,396429,synton_2,a3
813CCOc1ccc(NC(=O)c2ccc(NC(=O)C[U])cc2)cc1,179903,synton_2,a3
814Cc1ccccc1OCCC[U],162844,synton_2,a3
815CC(C)([U])C(=O)Nc1cccc(C(F)(F)F)c1,404839,synton_2,a3
816Cc1cccc(I)c1C[U],311780,synton_2,a3
817Cc1ccccc1C([U])c1ccccc1,56140,synton_2,a3
818O=C1CC[C@@H](C[U])N1,42774,synton_2,a3
819COc1cccc(C[U])n1,14071,synton_2,a3
820COc1cc(Br)ccc1C[U],65968,synton_2,a3
821O=C(C[U])Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,236079,synton_2,a3
822Cc1cccc(OCCNC(=O)C[U])c1,162347,synton_2,a3
823CC(C)c1ccc(C(=O)C[U])c(C(C)C)c1,138704,synton_2,a3
824O=C(C[U])Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,250766,synton_2,a3
825CCCNC(=O)c1ccc(C[U])cc1,380840,synton_2,a3
826CC([U])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,372602,synton_2,a3
827Clc1ccc(C[U])cc1,251436,synton_2,a3
828CC([U])C(=O)c1ccc(OC(F)F)cc1,125911,synton_2,a3
829COc1ccc(O)c(C(=O)C[U])c1,115487,synton_2,a3
830Fc1cc(Cl)ccc1C[U],51838,synton_2,a3
831[U]CCCOCc1ccccc1,260208,synton_2,a3
832O=C(C[U])NC(=O)Nc1ccc2c(c1)OCO2,250643,synton_2,a3
833Clc1ccc(C[U])cc1Cl,251433,synton_2,a3
834Fc1c(F)c(F)c(C[U])c(F)c1F,66466,synton_2,a3
835CS(=O)(=O)N1CCc2cc(C(=O)C[U])ccc21,209654,synton_2,a3
836O=C(C[U])N1CCc2ccc([N+](=O)[O-])cc21,301057,synton_2,a3
837[U]Cc1cccc2ccccc12,47684,synton_2,a3
838COC(=O)C[C@H](NC(=O)C[U])C(=O)OC,196867,synton_2,a3
839O=CN1CCN(C(=O)C[U])CC1,250590,synton_2,a3
840[U]Cc1ccc(Oc2ccccc2)cc1,7266,synton_2,a3
841CCCCCc1nnc(NC(=O)C[U])s1,170174,synton_2,a3
842[U]Cc1c2ccccc2cc2ccccc12,39719,synton_2,a3
843CC(C)c1cccc(C(C)C)c1NC(=O)C[U],138897,synton_2,a3
844CN1CCCC(C[U])C1,117676,synton_2,a3
845O=[N+]([O-])c1cccc(Cl)c1C[U],109764,synton_2,a3
846CC1(C)OB(c2cccc(F)c2C[U])OC1(C)C,105232,synton_2,a3
847OCCCCCCCCCCCC[U],1950,synton_2,a3
848Fc1ccc(C[U])c2ccccc12,40896,synton_2,a3
849Fc1cc(OC(F)F)ccc1C[U],319112,synton_2,a3
850CCC(C)[U],166079,synton_2,a3
851COc1c(F)ccc(C[U])c1F,199017,synton_2,a3
852Cc1cccc(C[U])n1,117527,synton_2,a3
853COc1ccc(C(C)=O)cc1C[U],4175,synton_2,a3
854O=S(=O)(CCC[U])c1ccc(F)cc1,257404,synton_2,a3
855[U]C[P+](c1ccccc1)(c1ccccc1)c1ccccc1,63051,synton_2,a3
856Fc1cccc(C(F)(F)F)c1C[U],45886,synton_2,a3
857O=C(Nc1cccc(Br)c1)OCC[U],251765,synton_2,a3
858CC([U])c1ccc(Br)cc1,43959,synton_2,a3
859CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[U])c1,172314,synton_2,a3
860O=C(C[U])NCCOc1ccc2c(c1)OCO2,250944,synton_2,a3
861N#Cc1ccc(Cl)cc1NC(=O)C[U],250735,synton_2,a3
862Clc1cccc(C[U])c1Br,249439,synton_2,a3
863NC(=O)COc1ccc(CNC(=O)C[U])cc1,262180,synton_2,a3
864O=C(C[U])N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1,250596,synton_2,a3
865CC([U])C(=O)Nc1cccc(C(F)(F)F)c1,143020,synton_2,a3
866CC(=O)c1cc(OCc2ccccc2)cc(NC(=O)C[U])c1O,28324,synton_2,a3
867Cc1ncsc1CC[U],164410,synton_2,a3
868CCOC(=O)C1=C(C[U])NC(=O)NC1,175746,synton_2,a3
869COC(=O)c1cc(F)c(C[U])c(F)c1,362231,synton_2,a3
870Cc1ccc(NC(=O)NC(=O)C[U])c(C)c1,160893,synton_2,a3
871FC(F)(F)c1ccc(C[U])cn1,41317,synton_2,a3
872O=C(OC[C@H]1O[C@H]([U])C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,42645,synton_2,a3
873O=C(C[U])Nc1ccc(Cc2ccncc2)cc1,400388,synton_2,a3
874Cc1cc(NC(=O)C[U])n(-c2ccccc2F)n1,218711,synton_2,a3
875CCCCCC[U],170194,synton_2,a3
876Cn1c(=O)oc2cc(C(=O)C[U])ccc21,184450,synton_2,a3
877Cc1noc(C)c1-c1nc(C[U])no1,317808,synton_2,a3
878[U]CCCCCOCc1ccccc1,17602,synton_2,a3
879CC([U])C(=O)Nc1ccc(C(F)(F)F)cc1,142953,synton_2,a3
880CN(C)CCCOc1cccc(C[U])c1,312143,synton_2,a3
881CC(C)CNC(=O)c1cccc(C[U])c1,139981,synton_2,a3
882COCCOCCOCCOCCOCC[U],5425,synton_2,a3
883O=C(C[U])C1CC1,57010,synton_2,a3
884CC(C)Oc1ccc(OCC[U])cc1,417922,synton_2,a3
885CN1CCC([U])C1=O,186459,synton_2,a3
886FC(F)(F)c1ccc(Br)cc1C[U],253665,synton_2,a3
887CCOc1ccccc1-c1noc(C[U])n1,180143,synton_2,a3
888O=C(C[U])NC(c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1,253267,synton_2,a3
889CC(C)=CC[U],123129,synton_2,a3
890COc1cc(C[U])ccc1OC(F)F,200063,synton_2,a3
891CCCCCCCCCCCCc1ccc(C[U])cc1,389317,synton_2,a3
892CCOc1ccc2nc(NC(=O)C[U])sc2c1,180020,synton_2,a3
893CC([U])c1nc(-c2ccco2)no1,143116,synton_2,a3
894COC(=O)[C@H]1C[C@H]([U])C1,41950,synton_2,a3
895COCCCN(C(=O)C[U])C1CC(=O)N(c2ccccc2)C1=O,410558,synton_2,a3
896CCN(C(=O)C[U])c1ccccc1,172196,synton_2,a3
897O=C(C[U])c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2,13534,synton_2,a3
898FC(F)(F)Oc1cc(Cl)cc(C[U])c1,319309,synton_2,a3
899FC(F)=C(F)CC[U],252624,synton_2,a3
900N#Cc1ccc(C[U])c(I)c1,120223,synton_2,a3
901CC(NC(=O)C[U])c1ccccc1,396865,synton_2,a3
902O=C(CC[U])N1CCc2ccccc2C1,251575,synton_2,a3
903O=C(C[U])Nc1ccc2c(c1)OCCCO2,250792,synton_2,a3
904COc1cccc(Cl)c1C(=O)C[U],34911,synton_2,a3
905COCCCOc1cc[n+]([O-])c(C[U])c1C,29373,synton_2,a3
906O=C(Nc1ccc(F)cc1)c1nnc(C[U])s1,257967,synton_2,a3
907O=C(C[U])c1ccc(Cl)c(Cl)c1,5478,synton_2,a3
908[U]CCCOc1ccccc1,34648,synton_2,a3
909Oc1ccc(CC[U])cc1,11159,synton_2,a3
910COC(=O)c1ccccc1C[U],43291,synton_2,a3
911Cc1cc2oc(=O)cc(C[U])c2cc1C,158719,synton_2,a3
912CC(C)(C)c1nc(C[U])cs1,127003,synton_2,a3
913Fc1ccc(CCCC[U])cc1,43500,synton_2,a3
914Cc1ccc(C[U])c(C)c1,57529,synton_2,a3
915CC(C)(C)c1ccc(C(=O)CCC[U])cc1,46192,synton_2,a3
916C#CCCCC[U],251692,synton_2,a3
917O=[N+]([O-])c1cc(C[U])ccc1Br,41857,synton_2,a3
918CC(C)(C)[Si](OCCC[U])(c1ccccc1)c1ccccc1,136321,synton_2,a3
919OCC([U])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,314702,synton_2,a3
920N#CCCN(C(=O)C[U])c1ccccc1,250526,synton_2,a3
921Cc1noc(C)c1C[U],34657,synton_2,a3
922[U]CCCc1nc(-c2cccnc2)no1,479678,synton_2,a3
923O=C(C[U])c1ccccc1Br,28170,synton_2,a3
924Cc1ccc(C[U])cc1Br,30582,synton_2,a3
925Cc1nc(-c2cccc(NC(=O)C[U])c2)cs1,151194,synton_2,a3
926COCCOCC[U],6662,synton_2,a3
927Cc1cc(C[U])n(C)n1,394525,synton_2,a3
928O=C(C[U])Nc1cc(Cl)ccc1Cl,395308,synton_2,a3
929O=C(C[U])NC(=O)NC12CC3CC(CC(C3)C1)C2,250636,synton_2,a3
930COc1ccc2cc(CN(C)C(=O)C(C)[U])ccc2c1,204087,synton_2,a3
931Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[U])CC1,153063,synton_2,a3
932CCOC(=O)C(F)([U])C(F)(F)F,319124,synton_2,a3
933CN(C)C(=O)C([U])c1ccccc1,181474,synton_2,a3
934CCN(C(=O)CC[U])c1ccccc1C,395243,synton_2,a3
935Cc1cc(C[U])ccn1,110204,synton_2,a3
936O=C(C[U])N1CCCCCCC1,250576,synton_2,a3
937Fc1ccccc1C(F)(F)[U],318848,synton_2,a3
938CC(C)(C)OC(=O)CCOCCOCCOCC[U],21615,synton_2,a3
939O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(C([U])(c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)cc1,460701,synton_2,a3
940Fc1cc(C(F)(F)F)cc(F)c1C[U],256577,synton_2,a3
941O=C(C[U])c1c(F)ccc(F)c1F,319211,synton_2,a3
942O=[N+]([O-])c1ccc(OCC[U])cc1,64253,synton_2,a3
943Clc1ccc(C[U])cn1,63448,synton_2,a3
944O=Cc1cc(C[U])ccc1O,57358,synton_2,a3
945FC(Cl)C(F)(F)[U],430396,synton_2,a3
946C=CC(F)(F)C(F)(F)[U],252703,synton_2,a3
947[U]Cc1cnn(Cc2ccccc2)c1,251517,synton_2,a3
948NC(=O)c1ccccc1N([U])c1ccccc1,23700,synton_1,a3
949CN([U])c1cccc(OC(F)(F)F)c1,223879,synton_1,a3
950Cc1ccc(N([U])c2nc3ccccc3s2)cc1C,160938,synton_1,a3
951O=C(NCC1CCCCN1[U])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,236521,synton_1,a3
952[U]N(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,32925,synton_1,a3
953CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)[U],24426,synton_1,a3
954CC(C)(C)P(CCN([U])CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C,467473,synton_1,a3
955O=C1NC(c2ccc(OC(F)(F)F)cc2)=NC12CCN([U])CC2,113496,synton_1,a3
956CC(C)(C)OC(=O)N1CCN([U])CC1=O,49416,synton_1,a3
957CN([U])c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,450585,synton_1,a3
958CCOC(=O)C1=C(C(=O)OCC)SC2(S1)C(C(=O)OCC)=C(C(=O)OCC)SC1=C2c2cc(C)ccc2N([U])C1(C)C,386058,synton_1,a3
959NC(=O)CCN([U])c1ccc(F)cc1,262087,synton_1,a3
960CN([U])c1cccc(F)c1,12132,synton_1,a3
961Fc1ccc(C2CC(C(F)(F)F)n3nccc3N2[U])cc1,257297,synton_1,a3
962CN([U])c1ccc(OC(F)(F)F)cc1,31621,synton_1,a3
963CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)[U])cc1)C(=O)OCC,56990,synton_1,a3
964[U]N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1,20850,synton_1,a3
965Cc1cccc(N([U])c2nc3ccccc3s2)c1C,162257,synton_1,a3
966CC(C)CN([U])c1ccc(F)c(Cl)c1,140025,synton_1,a5
967COC(=O)c1ccc(S(=O)(=O)[U])n1C,1125,synton_2,a5
968CC(=O)NC1Cc2ccc(S(=O)(=O)[U])cc2C1,61065,synton_2,a5
969Cc1cc(S(=O)(=O)[U])c(C)o1,149532,synton_2,a5
970O=S(=O)([U])c1ccc2c(c1)CCO2,47306,synton_2,a5
971COc1ccc(S(=O)(=O)[U])cc1,10535,synton_2,a5
972COc1cc(F)c(S(=O)(=O)[U])c(F)c1,200255,synton_2,a5
973O=S(=O)([U])c1cc(F)c(Cl)cc1F,256564,synton_2,a5
974O=S(=O)([U])c1cc(Cl)cc(Br)c1,247950,synton_2,a5
975O=S(=O)([U])c1cc2ccccc2s1,251902,synton_2,a5
976COc1cccc(-c2ccc(S(=O)(=O)[U])cc2)c1,340452,synton_2,a5
977O=S(=O)([U])c1cccc2nsnc12,105251,synton_2,a5
978COC(=O)c1sccc1S(=O)(=O)[U],40509,synton_2,a5
979O=S(=O)([U])c1ccc(-c2csnn2)cc1,252066,synton_2,a5
980COC(=O)c1ccc(S(=O)(=O)[U])cc1,194282,synton_2,a5
981CCCCCCCCCCCCS(=O)(=O)[U],39596,synton_2,a5
982O=S(=O)([U])c1ccc(Cl)cc1Br,248379,synton_2,a5
983O=[N+]([O-])c1ccc(S(=O)(=O)[U])cc1,18754,synton_2,a5
984Cc1cccc(F)c1S(=O)(=O)[U],162160,synton_2,a5
985Cc1ccc(S(=O)(=O)[U])cc1C(=O)O,55625,synton_2,a5
986CCCCc1ccc(S(=O)(=O)[U])cc1,170051,synton_2,a5
987O=S(=O)([U])c1c(Cl)cc(Cl)cc1Cl,456675,synton_2,a5
988Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[U],428445,synton_2,a5
989O=S(=O)([U])c1ccc(S(=O)(=O)c2ccccc2)s1,443127,synton_2,a5
990O=S(=O)([U])c1ccc2c(c1)OCCCO2,252161,synton_2,a5
991CCc1ccc(S(=O)(=O)[U])s1,167379,synton_2,a5
992CCCCCc1ccc(S(=O)(=O)[U])cc1,313188,synton_2,a5
993Cc1cc(Cl)ncc1S(=O)(=O)[U],5438,synton_2,a5
994COc1ccc(S(=O)(=O)[U])cc1[N+](=O)[O-],202201,synton_2,a5
995Cn1cnc(S(=O)(=O)[U])c1,186047,synton_2,a5
996O=S(=O)([U])c1c(Cl)cc(Br)cc1Cl,6714,synton_2,a5
997Cc1c2ccc(N[U])cc2nn1C,41717,synton_1,a5
998OC1COCC1N[U],18699,synton_1,a5
999Cc1cncc(N[U])c1,315721,synton_1,a5
1000CC(C)OCc1ccc(N[U])cc1,141576,synton_1,a5
1001CCC(=O)NCC1CCCN([U])C1,337185,synton_1,a5
1002CSCc1ccc(N[U])cc1,228629,synton_1,a5
1003FC(F)Oc1cc(Br)c(N[U])c(Br)c1,334296,synton_1,a5
1004FC(F)(F)c1ccc(N2CCOCC2)c(N[U])c1,7100,synton_1,a5
1005FC(F)(F)c1cnc(Oc2ccccc2N[U])c(Cl)c1,315929,synton_1,a5
1006Clc1cc(Cl)cc(-c2ccc(N[U])cc2)c1,313449,synton_1,a5
1007COc1cc(OC)c(N[U])cn1,59448,synton_1,a5
1008Oc1c(Br)cc(SC(F)(F)F)cc1N[U],312746,synton_1,a5
1009CC(=O)N1CCc2c(N[U])cccc21,33786,synton_1,a5
1010CC(C)OCCCN([U])c1ccc(Cl)nn1,407238,synton_1,a5
1011COCCOc1cc(C#N)c(N[U])cc1OCCOC,59923,synton_1,a5
1012COc1cccc(N[U])c1Cl,67616,synton_1,a5
1013NC(=O)N1CCC(N[U])CC1,233889,synton_1,a5
1014COc1cc(C)c(N[U])cc1OC,199437,synton_1,a5
1015Brc1ccc2[nH]c(-c3ccc(N[U])cc3)nc2c1,266390,synton_1,a5
1016Cn1cc(-c2ccc(N[U])cc2)cn1,185277,synton_1,a5
1017[U]N[C@@H]1CCCOC1,306962,synton_1,a5
1018NC(=O)N1CCN(C(=O)CN[U])CC1,333432,synton_1,a5
1019[U]NC[C@@H]1CCCO1,50725,synton_1,a5
1020COc1ccc(N[U])c(C)c1C,402097,synton_1,a5
1021FC(F)(F)COc1ccc(N[U])cc1,240010,synton_1,a5
1022Cc1ccc(C(=O)NCC(C)C)cc1N[U],427665,synton_1,a5
1023FC(F)(F)c1cccc2c1CCN2[U],236433,synton_1,a5
1024CCCC(=O)Nc1nc2ccc(N[U])cc2s1,169206,synton_1,a5
1025Fc1ccc(-n2cc(Cl)cn2)c(N[U])c1,266039,synton_1,a5
1026Cc1ccc(N([U])CCC(N)=S)cc1,160994,synton_1,a5
1027Clc1cc(Br)cc(N[U])c1,65037,synton_1,a5
1028CC(C)C(=O)NCC1CCCN([U])C1,137371,synton_1,a5
1029Cc1c(N[U])cccc1NC(=O)C1CCCC1,463747,synton_1,a5
1030FC(F)(F)c1ccc(-c2cccc(N[U])c2)cc1,395534,synton_1,a5
1031COc1ccc(N[U])cc1OC(F)F,203460,synton_1,a5
1032CCN(Cc1ccccc1)C(=O)c1cc(N[U])ccc1Cl,172787,synton_1,a5
1033O=C(NCc1ccccn1)c1ccc(N[U])cc1Cl,266780,synton_1,a5
1034COc1cccc(N(C)[U])c1,116702,synton_1,a5
1035[U]Nc1cccc2cn[nH]c12,38655,synton_1,a5
1036CCc1ccc2c(c1)N([U])CCO2,168654,synton_1,a5
1037CC(C)C(=O)N1CCCN([U])CC1,137333,synton_1,a5
1038OC[C@H]1O[C@@H](Oc2ccc(N[U])cc2)[C@H](O)[C@@H](O)[C@H]1O,31814,synton_1,a5
1039[U]Nc1cccc(C#Cc2ccccn2)c1,267612,synton_1,a5
1040COc1cc2c(cc1N[U])oc1ccccc12,48538,synton_1,a5
1041Cn1ncc(N[U])c1C(N)=O,187802,synton_1,a5
1042O=S(=O)(Nc1cc(N[U])ccc1F)c1ccccc1,267020,synton_1,a5
1043COc1c(C)cc(N[U])cc1C(F)(F)F,312681,synton_1,a5
1044Cc1ccc(N[U])c(O)n1,160705,synton_1,a5
1045Cc1ccc(N[U])cc1NC(=O)c1ccncc1,160734,synton_1,a5
1046[U]N1CC2CCC(C1)O2,59640,synton_1,a5
1047CCOc1ccc(N[U])cc1-n1cccc1,463948,synton_1,a5
1048COc1c(N[U])cc([N+](=O)[O-])c(OC)c1C,397571,synton_1,a5
1049C[C@H]1O[C@@H](n2cc(F)c(N[U])nc2=O)[C@H](O)[C@@H]1O,64453,synton_1,a5
1050CC(C)S(=O)(=O)c1ccc(N[U])cc1,141682,synton_1,a5
1051Oc1cccc(N[U])c1,8639,synton_1,a5
1052Clc1cc2c(cc1N[U])OCO2,239841,synton_1,a5
1053CC(C)C(C)N([U])c1ccccc1,137560,synton_1,a5
1054COc1ccc(N[U])c(C(=O)Nc2ccc(Cl)cn2)c1,14315,synton_1,a5
1055COc1ccc(N[U])cc1I,52110,synton_1,a5
1056Fc1cc2c(cc1Br)CCN2[U],55659,synton_1,a5
1057COc1ncc(N[U])c(C)n1,59831,synton_1,a5
1058Brc1ccc2c(c1)N([U])CC2,33105,synton_1,a5
1059N#Cc1ccc(N[U])c(OC(F)(F)F)c1,43644,synton_1,a5
1060CCCCCOc1ccc(N[U])cc1,325439,synton_1,a5
1061CN([U])C1CCN(C(=O)C2CC2)CC1,479828,synton_1,a5
1062[U]Nc1ccc(N2CCc3sccc3C2)cc1,266471,synton_1,a5
1063O=C1C2C3C=CC(C3)C2C(=O)N1CN([U])c1cccc(C(F)(F)F)c1,403678,synton_1,a5
1064CNC(=O)c1ccc(N[U])c(C)c1,188523,synton_1,a5
1065COc1ccc(N(C)[U])cn1,189515,synton_1,a5
1066CCOC(=O)c1csc(N([U])c2ccc(OC)cc2)n1,176162,synton_1,a5
1067CCCN([U])CC1CCCO1,460787,synton_1,a5
1068Cc1cc(N[U])ccc1S(N)(=O)=O,157989,synton_1,a5
1069Oc1ccc(N[U])cc1I,16265,synton_1,a5
1070O=c1ccc(N[U])cn1Cc1cccc(Cl)c1,239907,synton_1,a5
1071[U]Nc1cccc(CSc2ccccn2)c1,267866,synton_1,a5
1072Cn1ccc(N[U])n1,32509,synton_1,a5
1073[U]Nc1ccc2nc(CN3CCOCC3)[nH]c2c1,267508,synton_1,a5
1074CC(C)COC(=O)c1ccccc1N(C)[U],58011,synton_1,a5
1075COC(=O)[C@@H]1Cc2ccccc2N1[U],197118,synton_1,a5
1076Cc1c(Br)ccc(N[U])c1C,385608,synton_1,a5
1077[U]Nc1ccc(OCC2CC2)cc1,240015,synton_1,a5
1078Cc1ccc(N([U])C(C)C)cc1Br,141022,synton_1,a5
1079CC(C)(C)OC(=O)N1CCN([U])c2cc(F)ccc2C1,98401,synton_1,a5
1080COc1ccc(CN(C)C)cc1N[U],203016,synton_1,a5
1081FC(F)(F)c1cccc(N[U])c1,45668,synton_1,a5
1082COCc1nccc(N[U])n1,94747,synton_1,a5
1083Cc1ccc(OC(F)(F)F)cc1N[U],58840,synton_1,a5
1084N#CCc1ccc(N[U])cn1,391042,synton_1,a5
1085Oc1c(Br)cc(N[U])cc1Br,17515,synton_1,a5
1086COCC(C)NS(=O)(=O)c1ccc(N[U])cc1,206407,synton_1,a5
1087Fc1cc(F)c(N[U])c(F)c1,3791,synton_1,a5
1088[U]N1CCO[C@H]2CCCC[C@@H]21,122015,synton_1,a5
1089[U]N[C@@H]1CCOC1,427172,synton_1,a5
1090O=C(NCc1ccc(N[U])cc1)c1ccc(Br)cc1,266887,synton_1,a5
1091[U]Nc1ccc(-c2ccco2)cc1,44202,synton_1,a5
1092CS(=O)(=O)c1ccc(O)c(N[U])c1,209271,synton_1,a5
1093CCN(CC)C(=O)COc1ccc(N[U])cc1Cl,172388,synton_1,a5
1094CC1CN(Cc2ccccc2N[U])CC(C)O1,154703,synton_1,a5
1095CP(C)(=O)c1ccc(N[U])c(F)c1,30035,synton_1,a5
1096Cc1ccc(O)c(N[U])c1,320999,synton_1,a5
1097Cc1ccc(N(C)[U])c(C)c1,189476,synton_1,a5
1098CS(=O)(=O)c1ccc(N[U])cc1F,209255,synton_1,a5
1099COC(=O)c1ccccc1N(C)[U],16394,synton_1,a5
1100COc1ccc(I)c(N[U])c1,8215,synton_1,a5
1101Cc1ccc(-c2ccc(N[U])cn2)cc1,60216,synton_1,a5
1102Clc1cnc2cc(N[U])ccc2n1,103881,synton_1,a5
1103CC(C)(C)OC(=O)N1CCC2(CC1)CN([U])c1ccccc12,94477,synton_1,a5
1104COc1ccc(Sc2ccc(N[U])cc2Cl)cc1,203923,synton_1,a5
1105COc1cc(OC)c(F)c(N[U])c1F,50040,synton_1,a5
1106N#Cc1cc(O)cc(-c2cccc(N[U])c2)c1,382965,synton_1,a5
1107CC(C)Cc1nc(CN(C)[U])no1,406944,synton_1,a5
1108CC(C)(C)[Si](C)(C)OCc1cc(Br)ccc1N[U],136275,synton_1,a5
1109[U]Nc1cccc(-c2csc(-c3ccccc3)n2)c1,375142,synton_1,a5
1110Fc1cc(Cl)c(Cl)cc1N[U],12078,synton_1,a5
1111Cc1nc(-c2cccc(N[U])c2)no1,151242,synton_1,a5
1112CC(=O)Nc1cccc(N[U])c1,33811,synton_1,a5
1113Fc1ccc(Cn2cc(Cl)c(N[U])n2)c(Cl)c1,264540,synton_1,a5
1114FC(F)(F)C(N[U])c1ccc(Cl)cc1,100888,synton_1,a5
1115CNS(=O)(=O)c1ccc(C)c(N[U])c1,190450,synton_1,a5
1116CCOC(=O)c1sc(N([U])c2ccccc2)nc1C,335404,synton_1,a5
1117Clc1ccc(N([U])Cc2ccccc2)cc1,248998,synton_1,a5
1118CC(C)c1ccc(N[U])c(C(C)C)c1,138798,synton_1,a5
1119[U]Nc1ccc(-c2cccs2)cc1,332076,synton_1,a5
1120[U]Nc1ccccc1CN1CCOCC1,95025,synton_1,a5
1121[U]NC1CCCOC1,45505,synton_1,a5
1122CC(C)(C)Cc1nnc(N[U])s1,378178,synton_1,a5
1123CSCc1ccc(N[U])cc1,114487,synton_1,a5
1124O=C(c1ccc(Cl)c(N[U])c1)N1CCOCC1,417725,synton_1,a5
1125[U]Nc1ccccc1-c1ccccc1OCc1ccccc1,315778,synton_1,a5
1126Cc1cncc(N(C)[U])c1,52787,synton_1,a5
1127Clc1cccc(N[U])c1Oc1cccnc1,267879,synton_1,a5
1128Fc1cccc(Oc2ccc(N[U])cn2)c1F,267229,synton_1,a5
1129O[C@H]1C[C@H]2CC[C@@H](C1)N2[U],381808,synton_1,a5
1130CN([U])c1cccc([N+](=O)[O-])c1,20841,synton_1,a5
1131Cc1cnc(O)c(N[U])c1,382764,synton_1,a5
1132CNC(=O)c1cc(F)ccc1N[U],333735,synton_1,a5
1133Oc1ccc(N[U])cc1,321126,synton_1,a5
1134CC1(C)OC(c2cccc(N[U])c2)OC1(C)C,147587,synton_1,a5
1135O=C(OCc1ccccc1)C1CCc2ccccc2N1[U],432260,synton_1,a5
1136[U]Nc1ccc(-c2ccsc2)cc1,266441,synton_1,a5
1137CC(C)CC(=O)N1CCN(c2ccc(N[U])cc2)CC1,406092,synton_1,a5
1138Clc1cccc2c1OCCN2[U],249613,synton_1,a5
1139O=C1COc2c(N[U])cccc2N1,268061,synton_1,a5
1140COc1cc(N[U])ccc1C(F)(F)F,480086,synton_1,a5
1141CCNC(=O)c1ccc(N[U])cc1Cl,434913,synton_1,a5
1142Oc1nc(Br)ccc1N[U],4017,synton_1,a5
1143CCOc1c(Br)cc(Cl)cc1N[U],179318,synton_1,a5
1144[U]N1CC2CC1CO2,63930,synton_1,a5
1145COc1cccc(N(C)[U])c1,223881,synton_1,a5
1146COC(OC)C(C)N(C)[U],30917,synton_1,a5
1147O[C@@H]1CC[C@@H](N[U])C1,48506,synton_1,a5
1148[U]Nc1cccnc1-n1cccn1,268324,synton_1,a5
1149CC(C)CNC(=O)C1CCN([U])CC1,340001,synton_1,a5
1150CC(C)C(=O)Nc1ccccc1N[U],427735,synton_1,a5
1151CNC(=O)c1cc(N[U])ccc1F,188474,synton_1,a5
1152CN([U])c1cc(Br)ccn1,67574,synton_1,a5
1153COc1ccc(N[U])c(CO)c1,19332,synton_1,a5
1154CON(C)C(=O)CN[U],228112,synton_1,a5
1155COc1cc(N[U])ccc1N1CCOCC1,384152,synton_1,a5
1156CS(=O)(=O)c1ccc(-c2cccc(N[U])c2)cc1,340429,synton_1,a5
1157COc1ccc(N[U])c(C)n1,381772,synton_1,a5
1158OCCOCCOCCOCCOCCOCCOCCN[U],95716,synton_1,a5
1159Cc1cc(N[U])cc(C)c1O,37995,synton_1,a5
1160O=C1Cc2ccc(N[U])cc2N1,36886,synton_1,a5
1161Brc1cnc2c(N[U])cccc2c1,110432,synton_1,a5
1162FC(F)(F)c1cc(N[U])ccc1N1CCc2ccccc2C1,361718,synton_1,a5
1163COC(=O)CN([U])c1ccc(O)cc1,54929,synton_1,a5
1164COc1cc(Br)cc(C)c1N[U],117734,synton_1,a5
1165COC(=O)c1cc(Br)cc2c1N([U])CC2,2419,synton_1,a5
1166Clc1cccc(Oc2ccc(N[U])cc2)c1,267224,synton_1,a5
1167Cc1cc(N[U])ccc1C(C)C,114619,synton_1,a5
1168Cc1cn2nc(N[U])c3ccccc3c2n1,150706,synton_1,a5
1169C=C(C)COc1ccccc1N[U],414636,synton_1,a5
1170C#Cc1cccc(N([U])Cc2ccccc2)c1,120633,synton_1,a5
1171CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(N[U])c1,172699,synton_1,a5
1172COc1ccc(N[U])cc1S(=O)(=O)N1CCCC1,203476,synton_1,a5
1173CCOc1ccc2nc(-c3ccc(N[U])cc3)sc2c1,180023,synton_1,a5
1174O=c1[nH]c2cccc(N[U])c2o1,6802,synton_1,a5
1175COc1ccc(N([U])C(C)C)cc1F,227456,synton_1,a5
1176Brc1ccc2c(c1)CCN2[U],42629,synton_1,a5
1177FC(F)n1cc(N[U])cn1,240312,synton_1,a5
1178FC(F)(F)c1cccc(COc2ccc(N[U])cc2)c1,267289,synton_1,a5
1179COCCOc1ncccc1N[U],208049,synton_1,a5
1180O=C(C1CC1)N1CCC(N[U])CC1,265223,synton_1,a5
1181COc1ccc2c(c1)N([U])CCC2,6268,synton_1,a5
1182Brc1cnc(CN[U])nc1,242100,synton_1,a5
1183[U]Nc1ccccc1OCCc1ccccc1,268279,synton_1,a5
1184COc1ccc(N[U])c(F)c1,378909,synton_1,a5
1185COc1cc(F)c(F)cc1N[U],99468,synton_1,a5
1186FC(F)(F)C(N[U])C1CCCCC1,237811,synton_1,a5
1187Fc1cc(Br)cnc1CN[U],242099,synton_1,a5
1188FC(F)(F)CN[U],67310,synton_1,a5
1189[U]N1CCC2(CC2)C1,34048,synton_1,a5
1190CN(C(=O)c1cccc(N[U])c1)C1CCCCC1,459001,synton_1,a5
1191COc1ccc(C(=O)N2CCOCC2)cc1N[U],201933,synton_1,a5
1192[U]NCCC1CCCCO1,270831,synton_1,a5
1193COc1cc(Cl)c(Br)cc1N[U],200163,synton_1,a5
1194Brc1cc(N[U])ccc1N1CCOCC1,373454,synton_1,a5
1195CC(C)NC(=O)c1ccc(Cl)c(N[U])c1,140894,synton_1,a5
1196NC(=O)c1cccc(Oc2ccc(N[U])cc2)c1,261781,synton_1,a5
1197[U]Nc1ccccc1-c1nc(-c2ccccc2)no1,411398,synton_1,a5
1198COc1ccc(N([U])C2CCCCC2)cc1,227458,synton_1,a5
1199CC1(C)c2ccccc2-c2ccc(N([U])c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,28396,synton_1,a5
1200Fc1ccc2c(c1)N([U])CCO2,258319,synton_1,a5
1201CN(C)C(=O)c1cc(N[U])ccc1O,407257,synton_1,a5
1202[U]Nc1cccc2ccoc12,240183,synton_1,a5
1203COc1cccc(-c2ccccc2N[U])c1,204655,synton_1,a5
1204Oc1cc(Cl)c(Cl)cc1N[U],53581,synton_1,a5
1205CN(C)C(=O)c1cc(Cl)ccc1N[U],334305,synton_1,a5
1206CC(C)(C)c1nc(-c2ccc(N[U])cc2)no1,126992,synton_1,a5
1207CCCN([U])c1ccccc1,320207,synton_1,a5
1208Clc1cc(Br)c2c(c1)N([U])CCO2,102838,synton_1,a5
1209Fc1cccc(OC(F)F)c1N[U],7072,synton_1,a5
1210CC(CCCOc1c(Br)cc(Br)cc1Br)N[U],216352,synton_1,a5
1211CC(=O)Nc1cc(N[U])ccc1C,51389,synton_1,a5
1212CC(C)(C)OC(=O)N1CC(N([U])c2ccccc2)C1,63472,synton_1,a5
1213CC1(C)NC(=O)N(Cc2ccc(N[U])cc2)C1=O,405459,synton_1,a5
1214Oc1cccc(N[U])c1Cl,6234,synton_1,a5
1215C[C@H]1CC[C@@H](N[U])CC1,15048,synton_1,a5
1216O=C1CCN([U])c2ccc(F)cc2N1,258294,synton_1,a5
1217Cc1cc(C)nc(Sc2ccc(N[U])cc2)n1,156811,synton_1,a5
1218Cc1c(N[U])ccc(Br)c1Cl,19776,synton_1,a5
1219CC(=O)N1CCC(N[U])CC1,2366,synton_1,a5
1220[U]Nc1cc(C2CC2)nn1-c1ncccn1,263705,synton_1,a5
1221Cn1cnnc1-c1cccc(N[U])c1,186221,synton_1,a5
1222COc1ccc(N[U])c(F)c1,64896,synton_1,a5
1223Clc1ncc(N[U])cc1Br,21650,synton_1,a5
1224COC(=O)c1ccc2c(c1)N([U])CC2,103140,synton_1,a5
1225FC(F)(F)Sc1cccc(N[U])c1,267994,synton_1,a5
1226COc1ccc(C(=O)N2CCCCCC2)cc1N[U],201931,synton_1,a5
1227CN([U])c1cccc(O)c1,26522,synton_1,a5
1228COc1cc(C)c(N[U])c(C)c1,60205,synton_1,a5
1229CC1CCN(C(=O)c2ccccc2N[U])CC1,154467,synton_1,a5
1230Cc1ccc2c(c1)N([U])CCC2,113911,synton_1,a5
1231C=CCc1c([Np])ncnc1[U],39778,synton_1,a80
1232CCCCCCCCc1ccc(N[U])cc1,38463,synton_2,a80
1233CCOC(=O)[C@H]1C[C@H](N[Np])C1,22947,synton_3,a80
1234Clc1cccc2cccc(N[Np])c12,29918,synton_3,a80
1235Cc1nc2c(N[Np])cccc2o1,99481,synton_3,a80
1236O=C(c1ccc(Cl)cc1)c1ccccc1N[Np],1634,synton_3,a80
1237CN([Np])Cc1cnc2ccccc2c1,190160,synton_3,a80
1238Cc1c(N[Np])cccc1[N+](=O)[O-],17428,synton_3,a80
1239COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2[Np])cc1OC,227344,synton_3,a80
1240[Np]NCCOc1cccc2ccccc12,242922,synton_3,a80
1241CC(N[Np])c1ccc2ccccc2c1,113475,synton_3,a80
1242COC(=O)C1CC2CCC(C1)N2[Np],28080,synton_3,a80
1243Cc1cccnc1CN[Np],56026,synton_3,a80
1244[Np]NCCc1cccnc1,13073,synton_3,a80
1245[Np]NCc1ccccc1-n1cncn1,270575,synton_3,a80
1246[Np]NCc1ccnc(Oc2ccccc2)c1,242058,synton_3,a80
1247O=C(c1ccccc1Cl)c1ccccc1N[Np],40607,synton_3,a80
1248Fc1ccccc1OCCN[Np],340883,synton_3,a80
1249Cc1ccc(N[Np])c(OC(F)F)c1,316192,synton_3,a80
1250CN([Np])C1CCOC1,96109,synton_3,a80
1251CCC(CC)N([Np])Cc1cc(OC)c(OC)c(OC)c1,463984,synton_3,a80
1252FC(F)(F)c1ccccc1C1CCN([Np])CC1,95222,synton_3,a80
1253Clc1ccc2c(c1)C(N[Np])CC2,45325,synton_3,a80
1254CC(c1ccccn1)N([Np])C1CC1,216418,synton_3,a80
1255CS(=O)(=O)c1ccc(OCCN[Np])cc1,228381,synton_3,a80
1256CCCC(N[Np])c1ccccc1,169390,synton_3,a80
1257COCCN([Np])CCOc1ccccc1,464581,synton_3,a80
1258Cc1c(Cl)cc(F)cc1N[Np],56865,synton_3,a80
1259FC(F)Oc1ccccc1N[Np],6299,synton_3,a80
1260[Np]NCc1cc2ccccc2s1,241094,synton_3,a80
1261CN([Np])CCCCC(=O)OC(C)(C)C,224443,synton_3,a80
1262[Np]N1CCC2(CC1)CC2,14982,synton_3,a80
1263FC(F)(F)c1ccc(C(F)(F)F)c(CN[Np])c1,241629,synton_3,a80
1264CC(C)(C)c1cccc(OCCN[Np])c1,214099,synton_3,a80
1265CCOC(=O)c1cc2cc(N[Np])ccc2s1,175985,synton_3,a80
1266COc1cc(C)c(F)cc1N[Np],314480,synton_3,a80
1267FC(F)(F)Oc1ccc(N[Np])cc1Cl,66850,synton_3,a80
1268COC(=O)c1ccc(C)c(N[Np])c1,62934,synton_3,a80
1269Brc1cnccc1CN[Np],41006,synton_3,a80
1270FC1(F)Oc2ccc(CN[Np])cc2O1,15759,synton_3,a80
1271Cc1ccc(Br)c(N[Np])c1,44262,synton_3,a80
1272COc1cccc(OC)c1OCCN[Np],227683,synton_3,a80
1273CCCOc1ccc(C(F)(F)F)cc1N[Np],171896,synton_3,a80
1274CC(C)Oc1cc(F)ccc1N[Np],36863,synton_3,a80
1275COCCN([Np])Cc1cc(Br)cs1,228036,synton_3,a80
1276Ic1ccc(N[Np])c2ncccc12,52281,synton_3,a80
1277COc1cc(CN([Np])C2CCCCC2)cc(OC)c1OC,463785,synton_3,a80
1278Cc1cccc(CN([Np])C(C)C)c1,400252,synton_3,a80
1279Cn1cnc(N[Np])c2ncnc1-2,13253,synton_3,a80
1280[Np]NCCCC1CCCC1,270977,synton_3,a80
1281CN([Np])Cc1cnn(Cc2ccccc2)c1,190165,synton_3,a80
1282Fc1cc(N[Np])ccc1Cl,268,synton_3,a80
1283Cc1cccc(CCN[Np])c1,95875,synton_3,a80
1284Brc1ccc(CN[Np])cc1,5150,synton_3,a80
1285[Np]Nc1cc2c(c3c1CCCC3)CCC2,57570,synton_3,a80
1286[Np]NCc1cccc(-n2cccn2)c1,234630,synton_3,a80
1287CC(c1ccccc1)N([Np])Cc1cccnc1,375198,synton_3,a80
1288COC(=O)C(N[Np])c1ccc(C(F)(F)F)cc1,21658,synton_3,a80
1289[Np]N(Cc1cccnc1)C1CCCCC1,383578,synton_3,a80
1290Fc1cc(F)c(Cl)c(N[Np])c1,59976,synton_3,a80
1291CCOC1CCN([Np])CC1,306059,synton_3,a80
1292C=CCN([Np])Cc1ccc(F)cc1,387981,synton_3,a80
1293CCCCCCCCCCCCCCN[Np],40730,synton_3,a80
1294Cc1c(N[Np])cccc1-c1nc2ccccc2s1,3724,synton_3,a80
1295CC(N[Np])c1ccc(F)cc1,392396,synton_3,a80
1296Fc1ccc(C2CC2)cc1N[Np],312588,synton_3,a80
1297CCOC(=O)c1ccc(I)c(N[Np])c1,177023,synton_3,a80
1298Cc1cccc(-c2cccc(N[Np])c2)c1,362021,synton_3,a80
1299COc1cc(CN([Np])C2CCCCCC2)cc(OC)c1OC,466106,synton_3,a80
1300COc1cc(CN(C)[Np])ccc1SC,190099,synton_3,a80
1301CCN([Np])C(C)c1ccc(F)cc1,220936,synton_3,a80
1302COc1cccc(C(N[Np])c2nccn2C)c1,232747,synton_3,a80
1303CN([Np])Cc1ccc(Br)cc1F,190054,synton_3,a80
1304CC(C)c1nc2cc(N[Np])ccc2o1,138088,synton_3,a80
1305[Np]Nc1cccc(-n2cccn2)c1,14503,synton_3,a80
1306COc1ccccc1CN([Np])CCc1ccc(Cl)cc1,464357,synton_3,a80
1307[Np]N(CCCn1ccnc1)Cc1ccncc1,464624,synton_3,a80
1308COCCN([Np])C1CCSC1,207807,synton_3,a80
1309CN([Np])CCCOc1ccc(Br)cc1,224461,synton_3,a80
1310CCOc1ccccc1CN([Np])C1CC1,388103,synton_3,a80
1311[Np]Nc1ccc(OC2CCC2)cc1,267187,synton_3,a80
1312[Np]Nc1ccc(OC2CCCCC2)cc1,49326,synton_3,a80
1313ClCc1ccc(CN[Np])cc1,432139,synton_3,a80
1314Fc1ccc(Oc2ccc(F)c(Cl)c2)c(CN[Np])c1,241677,synton_3,a80
1315CCOC(=O)CC(N[Np])c1ccc(OCC(C)C)c(OC)c1,402693,synton_3,a80
1316CC(C)C[C@H](N[Np])C(=O)OC(C)C,215436,synton_3,a80
1317C=CCN([Np])C(C)C,215578,synton_3,a80
1318[Np]N1CCCCC1c1nc2ccccc2s1,44723,synton_3,a80
1319CC(c1ccc(Cl)cc1)N(C)[Np],188898,synton_3,a80
1320[Np]NCc1ncccn1,46545,synton_3,a80
1321Fc1cc(N[Np])ccc1Oc1ccccc1Br,412150,synton_3,a80
1322Cc1cc(Cl)ccc1CN[Np],372931,synton_3,a80
1323CC(c1ccc(Cl)c(Cl)c1)N(C)[Np],188897,synton_3,a80
1324FC(F)(F)c1cc(N[Np])ccc1Br,63150,synton_3,a80
1325Fc1cccc(CN([Np])Cc2ccco2)c1,237053,synton_3,a80
1326COc1ccc(OC(F)(F)F)cc1N[Np],32050,synton_3,a80
1327CCC(C)N([Np])Cc1ccc(F)cc1,388023,synton_3,a80
1328[Np]Nc1ccc(-c2cn3ccsc3n2)cc1,266378,synton_3,a80
1329CCN([Np])Cc1noc(C2CCC2)n1,464752,synton_3,a80
1330Cc1noc2ccc(N[Np])cc12,57140,synton_3,a80
1331Cc1nn(C)c2cc(N[Np])ccc12,54701,synton_3,a80
1332FC(F)(F)c1cc(CN[Np])cc(C(F)(F)F)c1,9263,synton_3,a80
1333CC(c1ccccc1)N([Np])Cc1ccc(F)cc1,461001,synton_3,a80
1334[Np]N1CCn2ncnc2C1,10969,synton_3,a80
1335FC[C@H]1CCCN1[Np],237171,synton_3,a80
1336CCCN([Np])C(CC)CC,465773,synton_3,a80
1337Fc1cccc(C=C2CCN([Np])CC2)c1,237040,synton_3,a80
1338CCN([Np])C1CCOCC1,32811,synton_3,a80
1339[Np]N(Cc1ccccc1)Cc1ccc(-c2ccccc2)cc1,460998,synton_3,a80
1340COc1cc(OC)c(N[Np])cc1F,43753,synton_3,a80
1341COC(=O)Cc1ccc(N[Np])cc1F,196196,synton_3,a80
1342[Np]Nc1ccccc1OCc1ccccn1,268278,synton_3,a80
1343COc1ccc(CN[Np])cc1OC(F)F,203036,synton_3,a80
1344CN([Np])Cc1ccc(-n2cccn2)cc1,190042,synton_3,a80
1345[Np]NCc1nc(-c2cccnc2)no1,466146,synton_3,a80
1346CCc1ccc(CN([Np])CCc2ccc(OC)c(OC)c2)cc1,464770,synton_3,a80
1347[Np]NCc1ccc(OC2CCCC2)cc1,270413,synton_3,a80
1348FC(F)(F)c1ccc(CCCN[Np])cc1,242558,synton_3,a80
1349Clc1cccc(C2CCCCN2[Np])c1,249384,synton_3,a80
1350[Np]NCc1ccc(-n2cnc3ccccc32)nc1,270347,synton_3,a80
1351COc1cccc(CN([Np])C2CCCc3ccccc32)c1OC,464971,synton_3,a80
1352[Np]Nc1cccc(-n2ccnc2)c1,267735,synton_3,a80
1353COC(=O)[C@H](CC1CC1)N[Np],2762,synton_3,a80
1354[Np]NC(Cc1ccccc1)c1ccccc1,238073,synton_3,a80
1355CC(C)c1nc(CN[Np])cs1,229927,synton_3,a80
1356CC(C)Sc1c(Cl)cccc1N[Np],141725,synton_3,a80
1357CCc1ccc(C(N[Np])c2cccs2)cc1,220166,synton_3,a80
1358Cc1nnc(CN(C)[Np])o1,224100,synton_3,a80
1359CC1CCC(N[Np])CC1,321865,synton_3,a80
1360[Np]NC1=NCCO1,17060,synton_3,a80
1361CCC(N[Np])c1ccc(OC)c(OC)c1,166638,synton_3,a80
1362FC(F)(F)c1cc(Oc2ccc(N[Np])cc2Br)ccc1Cl,316776,synton_3,a80
1363Cc1ccc(-c2noc(-c3cccc(N[Np])c3)n2)cc1,417894,synton_3,a80
1364Cc1ccc(-c2noc(-c3ccccc3N[Np])n2)cc1,359273,synton_3,a80
1365[Np]NC1CCSCC1,5663,synton_3,a80
1366CC(Oc1ccc(N[Np])cc1)c1ccccc1,145156,synton_3,a80
1367CN([Np])C1CCCc2ccccc21,189232,synton_3,a80
1368COC(=O)CC[C@H](N[Np])C(=O)OC(C)(C)C,439230,synton_3,a80
1369CC(C)c1ccc(Sc2ccc(N[Np])cc2)cc1,138859,synton_3,a80
1370COCCOc1cccc(N[Np])c1,208030,synton_3,a80
1371Cc1cc(C)c(CN(C)[Np])c(C)c1,224153,synton_3,a80
1372Cc1noc(C)c1CCCN[Np],153033,synton_3,a80
1373Brc1ccc(OCCN[Np])cc1,242892,synton_3,a80
1374Cc1c(F)cccc1CN[Np],218420,synton_3,a80
1375[Np]N1CCC(c2ncccn2)CC1,229459,synton_3,a80
1376Brc1cc(Br)cc(N[Np])c1,624,synton_3,a80
1377CN([Np])Cc1ccc2nsnc2c1,465907,synton_3,a80
1378Cn1ccc2cc(CN[Np])ccc21,62212,synton_3,a80
1379CC(N[Np])c1ccc(F)c(F)c1,216222,synton_3,a80
1380CC(C)(C)OC(=O)CCN[Np],9992,synton_3,a80
1381CCN([Np])CCOc1c(C)cccc1C,465599,synton_3,a80
1382[Np]Nc1ccccc1-c1cccs1,240207,synton_3,a80
1383[Np]NCc1ccncn1,38732,synton_3,a80
1384COc1cc(C)c(CN([Np])Cc2ccccc2OC)cc1C,474607,synton_3,a80
1385COc1cc(Cl)ccc1-c1cccc(N[Np])c1,390442,synton_3,a80
1386CCOCCOCCN[Np],399892,synton_3,a80
1387COCC(C)N([Np])Cc1ccc([N+](=O)[O-])cc1,464187,synton_3,a80
1388CC(C)CSCCN[Np],215414,synton_3,a80
1389COC(=O)Cc1cccc(N[Np])c1,38126,synton_3,a80
1390CCCN([Np])CCOc1c(Cl)cc(Cl)cc1Cl,6808,synton_3,a80
1391Cc1nnc(CN[Np])o1,306042,synton_3,a80
1392[Np]N1CCCC1c1cccc2ccccc12,336489,synton_3,a80
1393CSc1nnc(CCCN[Np])n1C1CCCC1,259796,synton_3,a80
1394COc1cccc(CN([Np])Cc2ccc(OC)cc2OC)c1,463581,synton_3,a80
1395Cc1ccnc(CN[Np])c1,44467,synton_3,a80
1396Cn1c(-c2cccc(N[Np])c2)nc2ccccc21,222568,synton_3,a80
1397CC(C)Oc1ccc(C(C)N[Np])cc1,215633,synton_3,a80
1398CN([Np])CCc1ccc(Cl)cc1,101782,synton_3,a80
1399FC(F)(F)Oc1ccc(OC2CCN([Np])CC2)cc1,64233,synton_3,a80
1400C[C@H](N[Np])C(=O)OCc1ccccc1,46196,synton_3,a80
1401Clc1ccc(C2CCCN2[Np])cc1,104636,synton_3,a80
1402CN([Np])C1Cc2ccccc2C1,436508,synton_3,a80
1403Cc1cccn2cc(-c3ccc(N[Np])cc3)nc12,150570,synton_3,a80
1404CCCc1noc(CN(C)[Np])n1,431540,synton_3,a80
1405[Np]N1CCC(Oc2ncccn2)CC1,432180,synton_3,a80
1406[Np]NC1CCC1,28105,synton_3,a80
1407CC(N[Np])c1ccc(OCc2ccc(F)cc2)cc1,143809,synton_3,a80
1408Cc1c(CN[Np])cnn1C,149215,synton_3,a80
1409CCOC(=O)CC(C)N(C)[Np],480051,synton_3,a80
1410COc1ccc(N[Np])c(C)c1,5934,synton_3,a80
1411CCOc1cc(Cl)ccc1N[Np],386070,synton_3,a80
1412[Np]NCCCn1cccn1,271092,synton_3,a80
1413COCC(C)N([Np])Cc1cc(OC)cc(OC)c1,464355,synton_3,a80
1414CCN([Np])C1CCCC1,174247,synton_3,a80
1415Cc1ccc(-c2cccc(N[Np])c2)cc1F,384577,synton_3,a80
1416Fc1cccc2c1CC[C@@H]2N[Np],5782,synton_3,a80
1417Cc1nn(C)c2ccc(N[Np])cc12,39243,synton_3,a80
1418CN([Np])Cc1ccc(F)c(F)c1,190077,synton_3,a80
1419Cc1cc(N[Np])ccc1Cl,17764,synton_3,a80
1420CCC(C)N([Np])Cc1ccsc1,331788,synton_3,a80
1421COc1cccc(-c2cc(CN[Np])on2)c1,227614,synton_3,a80
1422CCOCCOCc1cccc(CN[Np])c1,180520,synton_3,a80
1423COC(=O)[C@H]1CC[C@@H](N[Np])CC1,34531,synton_3,a80
1424COc1cccc(CN(C)[Np])c1,224320,synton_3,a80
1425[Np]Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1,361667,synton_3,a80
1426Cc1cc(CN[Np])ccn1,50451,synton_3,a80
1427COC(=O)c1cc(N[Np])c(OC)cc1Cl,94974,synton_3,a80
1428CCOC(=O)c1csc(CN[Np])n1,231331,synton_3,a80
1429Cc1cnc(CN[Np])c(C)c1,7517,synton_3,a80
1430COCCOc1ccccc1CN[Np],228060,synton_3,a80
1431FC(F)(F)c1cc(-c2ccc(N[Np])cc2)cc(C(F)(F)F)c1,383549,synton_3,a80
1432CSc1ccc(CN[Np])cc1,228576,synton_3,a80
1433Cc1ccc(-c2ccccc2N[Np])o1,314669,synton_3,a80
1434COC(=O)CCSc1ccc(N[Np])cc1,196559,synton_3,a80
1435Fc1cc(C(F)(F)F)c(F)cc1N[Np],12913,synton_3,a80
1436FC(F)Sc1ccc(N[Np])cc1,267335,synton_3,a80
1437FC(F)(F)c1cc(Cl)cc(N[Np])c1,38873,synton_3,a80
1438FC(F)(F)c1ccc(N[Np])c(Br)c1,43348,synton_3,a80
1439CC(C)c1ccc(N[Np])cc1,30073,synton_3,a80
1440COc1cc(N[Np])c(Br)cc1C,57567,synton_3,a80
1441Fc1ccc(CN[Np])cc1C(F)(F)F,19581,synton_3,a80
1442COCCCN([Np])Cc1ccccc1,227996,synton_3,a80
1443CN([Np])CCc1noc(COc2cccc(C(F)(F)F)c2)n1,404662,synton_3,a80
1444COc1ccc(Br)cc1CCN[Np],332964,synton_3,a80
1445CS(=O)(=O)c1ccc(N[Np])cc1,314282,synton_3,a80
1446COCCc1noc(CN(C)[Np])n1,465038,synton_3,a80
1447COc1cc(N[Np])c([N+](=O)[O-])cc1OC,109296,synton_3,a80
1448Brc1ccc(CN[Np])c2ccccc12,55391,synton_3,a80
1449CCN([Np])Cc1cccc(C(F)(F)F)c1,221059,synton_3,a80
1450COc1ccccc1Oc1cc(N[Np])cc([N+](=O)[O-])c1,205612,synton_3,a80
1451CCCN([Np])CCC,14200,synton_3,a80
1452Fc1ccc(F)c(CN([Np])C2CCCC2)c1,257896,synton_3,a80
1453Cc1ccc2c(N[Np])cccc2c1,23322,synton_3,a80
1454COc1cc(C)c(N[Np])cc1OC,226899,synton_3,a80
1455CCC(C)N[Np],459140,synton_3,a80
1456COC(=O)CCc1ccc(N[Np])cc1,376604,synton_3,a80
1457CC(N[Np])c1cc(F)c(Cl)cc1Cl,216191,synton_3,a80
1458CSc1ccc(CN([Np])C2CC2)cc1,464420,synton_3,a80
1459Cc1nc(CN[Np])no1,40760,synton_3,a80
1460COCCCC/C(=N\OCCN[Np])c1ccc(C(F)(F)F)cc1,207353,synton_3,a80
1461Clc1cc(Cl)c2c(c1)CN([Np])CC2,38354,synton_3,a80
1462CN([Np])Cc1cc(Cl)cc(Cl)c1,113426,synton_3,a80
1463[Np]Nc1ccc2c(c1)OCCO2,240079,synton_3,a80
1464CO[C@H]1CC[C@H](N[Np])CC1,10694,synton_3,a80
1465Clc1cccc(CN[Np])c1,3736,synton_3,a80
1466COC(=O)CC(C)N[Np],385853,synton_3,a80
1467COC(=O)CCCCCCCN[Np],226039,synton_3,a80
1468CC(=O)Oc1ccc(N[Np])cc1,444162,synton_3,a80
1469[Np]NCc1ccc(-c2nccs2)cc1,39723,synton_3,a80
1470CCOC(=O)CC(N[Np])c1cccs1,402801,synton_3,a80
1471CC(c1ccccc1Oc1ccc(Cl)c(Cl)c1)N(C)[Np],223509,synton_3,a80
1472C=CCN([Np])Cc1nc(-c2ccccc2)no1,388885,synton_3,a80
1473COc1ccc(N[Np])cc1Cl,203442,synton_3,a80
1474COCCc1noc(CN(C)[Np])n1,189915,synton_3,a80
1475FC(F)(F)c1ccc(N[Np])c(I)c1,52426,synton_3,a80
1476FC(F)(F)COc1ccc(N[Np])cc1Cl,267267,synton_3,a80
1477CCC(N[Np])c1ccccc1OC,219856,synton_3,a80
1478CC(C)C[C@@H](C(=O)OCc1ccccc1)N(C)[Np],18605,synton_3,a80
1479CCOC(=O)c1cc2cc(N[Np])ccc2s1,221346,synton_3,a80
1480CCc1nc(C(C)N[Np])cs1,167458,synton_3,a80
1481CC(C)OC(=O)c1cc(N[Np])ccc1Cl,403154,synton_3,a80
1482COCCN([Np])C(C)c1ccc(S(C)(=O)=O)cc1,318555,synton_3,a80
1483C[C@@H](N[Np])c1cccs1,105026,synton_3,a80
1484COc1ccc(CCN([Np])Cc2ccncc2)cc1OC,462944,synton_3,a80
1485Fc1cccc(CN[Np])c1,44527,synton_3,a80
1486Cc1ccc(N[Np])cc1Cl,64023,synton_3,a80
1487CCOC(=O)Cc1cccc(N[Np])c1,221572,synton_3,a80
1488CC(N[Np])c1ccccc1Br,95886,synton_3,a80
1489FC(F)(F)c1cccnc1CN[Np],64839,synton_3,a80
1490COC(=O)c1cc(F)cc(N[Np])c1F,115111,synton_3,a80
1491[Np]N1CCOC[C@@H]1Cc1ccccc1,30191,synton_3,a80
1492[Np]Nc1cc2cccnc2c2ncccc12,9578,synton_3,a80
1493CC[C@@H]1COCCN1[Np],38457,synton_3,a80
1494O=[N+]([O-])c1cc2c(cc1N[Np])OCCO2,266291,synton_3,a80
1495CS(=O)(=O)c1ccccc1CCN[Np],209371,synton_3,a80
1496COc1ccc(N[Np])c(OC)c1OC,227433,synton_3,a80
1497COc1ccc(CN([Np])Cc2ccc(OC)cc2OC)c(OC)c1,22392,synton_3,a80
1498CN([Np])Cc1cccc2cccnc12,37507,synton_3,a80
1499Cc1ccc(S(=O)(=O)Cc2ccc(N[Np])cc2)cc1,397645,synton_3,a80
1500Cc1ccc(OC2CCN([Np])CC2)cc1,161080,synton_3,a80
1501[Np]NCc1ccccc1Oc1ccccc1,270587,synton_3,a80
1502Cc1ccc(-c2ccc(N[Np])cc2)o1,443135,synton_3,a80
1503[Np]Nc1ccccc1OCC1CCCO1,443540,synton_3,a80
1504CC1CCCN([Np])CC1,218154,synton_3,a80
1505CC(N[Np])c1nccn1C,230153,synton_3,a80
1506COCC(C)N([Np])Cc1cccc(C)c1,386360,synton_3,a80
1507Brc1cccc2c1CN([Np])CC2,26108,synton_3,a80
1508Cc1cccnc1CN[Np],47453,synton_3,a80
1509Clc1cccc(CCCN[Np])c1,10818,synton_3,a80
1510CCCCN([Np])CCCc1ccccc1,353799,synton_3,a80
1511Cc1ccc(CN([Np])Cc2ccc(C)s2)cc1,217518,synton_3,a80
1512CCCN[Np],171275,synton_3,a80
1513COCCCCC(=NOCCN[Np])c1ccc(C(F)(F)F)cc1,429715,synton_3,a80
1514[Np]N1CCC[C@H]1c1cccnc1,307421,synton_3,a80
1515COc1cccc(CN([Np])C2CCCCCC2)c1OC,466107,synton_3,a80
1516[Np]Nc1ccccc1OCc1ccco1,403140,synton_3,a80
1517[Np]NCCCCc1ccccc1,242597,synton_3,a80
1518CCn1cc(C(C)N[Np])cn1,173194,synton_3,a80
1519[Np]N(Cc1cccc2ccccc12)C1CCCC1,121107,synton_3,a80
1520Cc1ccc(OCCN(C)[Np])cc1,224496,synton_3,a80
1521CCCCOC(=O)CN[Np],220484,synton_3,a80
1522CN([Np])C(c1ccccc1)c1ccccn1,188979,synton_3,a80
1523CN([Np])Cc1ccccc1[N+](=O)[O-],110386,synton_3,a80
1524CCC(C)N([Np])Cc1ccc(C)cc1,387969,synton_3,a80
1525O=[N+]([O-])c1ccc2c(c1)CC(N[Np])C2,96077,synton_3,a80
1526COc1ccc(CCN[Np])cc1,202926,synton_3,a80
1527Brc1cc(I)ccc1N[Np],17720,synton_3,a80
1528COC(=O)CCCN(C)[Np],63357,synton_3,a80
1529CC(C)CC(C)N(C)[U],188929,synton_2,a80
1530COc1cc(CN(C)[U])cc(OC)c1OC,28726,synton_2,a80
1531Brc1ccccc1OCCN[U],341587,synton_2,a80
1532CN([U])CCC=C1c2ccccc2CCc2ccccc21,48576,synton_2,a80
1533[U]Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1,337280,synton_2,a80
1534CC(C)(C)S(=O)(=O)Cc1cccc(N[U])c1,136080,synton_2,a80
1535Cc1cccc(CN[U])n1,19375,synton_2,a80
1536COC(=O)CC(N[U])c1cccc(Br)c1,225897,synton_2,a80
1537C[C@@H](N[U])c1cccs1,30755,synton_2,a80
1538Fc1ccc(C2CCN([U])CC2)cc1,626,synton_2,a80
1539CC(C)c1ccc(C(C)N[U])cc1,138585,synton_2,a80
1540Cc1cccc(CN(C)[U])c1,57089,synton_2,a80
1541Cc1nc(C)c(CN[U])s1,110965,synton_2,a80
1542[U]Nc1cccc(OC2CCCCC2)c1,240157,synton_2,a80
1543FC(F)(F)OCCN[U],40627,synton_2,a80
1544CCOC(=O)c1ccn(-c2ccccc2N[U])n1,177117,synton_2,a80
1545COC(=O)C1CCCC(N[U])C1,38117,synton_2,a80
1546COc1ccc(C2CCCCN2[U])cc1,107091,synton_2,a80
1547CCC(C)N([U])Cc1ccncc1,388021,synton_2,a80
1548COc1cc(N[U])ccc1Br,47189,synton_2,a80
1549Fc1ccc(CN([U])C2CCCC2)cc1,236958,synton_2,a80
1550Clc1ccc(-n2cnnn2)c(N[U])c1,265928,synton_2,a80
1551[U]N1CCSCC1c1cccc2ccccc12,24392,synton_2,a80
1552COc1ccc(-c2ccc(N[U])cc2)cc1,395535,synton_2,a80
1553CC(c1ccc2c(c1)OCCCO2)N([U])C1CC1,216413,synton_2,a80
1554CCC1SCC(C(=O)OC)N1[U],399753,synton_2,a80
1555Cc1ccc2ccccc2c1N[U],23821,synton_2,a80
1556CN([U])Cc1ccc(Br)c(F)c1,190051,synton_2,a80
1557COc1ccc(Oc2ccccc2N[U])cc1,404039,synton_2,a80
1558[U]N(CCOc1ccccc1)CCOc1ccccc1,120978,synton_2,a80
1559Cc1ccc(C)c(Oc2ccc(N[U])cc2Cl)c1,160151,synton_2,a80
1560CCCN([U])CCc1ccccn1,171763,synton_2,a80
1561[U]NC1CCc2ccccc2C1,306039,synton_2,a80
1562O=C1CN([U])[C@@H](c2ccccc2)CO1,7004,synton_2,a80
1563Cc1cc(OC(F)(F)F)ccc1CN[U],311477,synton_2,a80
1564CCCCN([U])Cc1cccc(Br)c1,387881,synton_2,a80
1565CCN([U])Cc1ccc(OC)cc1OC,174480,synton_2,a80
1566CCCCOc1ccc(CN[U])cc1OC,170973,synton_2,a80
1567O=[N+]([O-])c1cccc(CN([U])C2CCCc3ccccc32)c1,463995,synton_2,a80
1568FC(F)(F)c1ccc(OC2CCN([U])CC2)cc1,112006,synton_2,a80
1569CCN([U])Cc1cccc(OC)c1,113935,synton_2,a80
1570[U]N1CCC(Cc2ccccc2)CC1,120842,synton_2,a80
1571CCCOc1cc(C)ccc1N[U],171863,synton_2,a80
1572COc1ccc(CN([U])C(C)C)c2ccccc12,463999,synton_2,a80
1573O=C(OCc1ccccc1)[C@@H](Cc1ccccc1)N[U],6123,synton_2,a80
1574Fc1ccc(CN([U])C2CCCCC2)cc1,465357,synton_2,a80
1575CCCCCN([U])CCC,361852,synton_2,a80
1576CCOC(=O)c1ccc(N[U])cc1C(F)(F)F,57893,synton_2,a80
1577Fc1c(Br)cccc1N[U],34348,synton_2,a80
1578[U]NCc1ccc2ncccc2c1,47681,synton_2,a80
1579[U]N(Cc1ccncc1)Cc1ccncc1,2208,synton_2,a80
1580Fc1cccc(COc2cccc(N[U])c2)c1,267981,synton_2,a80
1581COC(=O)CN([U])Cc1ccc(F)c(F)c1,226095,synton_2,a80
1582[U]NCc1nnc2n1CCOCC2,234438,synton_2,a80
1583CCCCCCCCCc1ccc(N[U])cc1,454800,synton_2,a80
1584Cc1cccc(CN([U])Cc2ccco2)c1,162107,synton_2,a80
1585C[C@H](N[U])c1ccc(C(F)(F)F)cc1,108534,synton_2,a80
1586Cc1ccc(N[U])c(C)c1,160683,synton_2,a80
1587FC(F)(F)Oc1cc(Br)ccc1N[U],44491,synton_2,a80
1588CC1(C)CCc2cc(N[U])ccc2O1,216711,synton_2,a80
1589CCCCC(CCCC)N[U],220384,synton_2,a80
1590O=[N+]([O-])c1ccc(CN([U])C2CCCCCC2)cc1,463578,synton_2,a80
1591Fc1cccc(C(F)(F)F)c1CN[U],11580,synton_2,a80
1592COc1ccc(CN[U])c(Cl)c1,94966,synton_2,a80
1593Fc1ccc(-c2ccc(N[U])cc2)cc1,19018,synton_2,a80
1594Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N[U],44454,synton_2,a80
1595O=C1CN=c2ccc(N[U])cc2=N1,7676,synton_2,a80
1596CC(C)Oc1cccc(C(C)N[U])c1,141458,synton_2,a80
1597Cc1cccc(-c2nc3ccc(N[U])cc3o2)c1,406649,synton_2,a80
1598Cc1cnn(CC2CCN([U])CC2)c1,230925,synton_2,a80
1599CCOCCOCc1cccc(N[U])c1,180522,synton_2,a80
1600Clc1cccc(-c2ccc(N[U])cc2)c1,59209,synton_2,a80
1601COC(=O)C1(C)CCN([U])CC1,303938,synton_2,a80
1602CCOC(=O)c1ccc(N[U])cc1OC,8296,synton_2,a80
1603Fc1ccc(CN[U])cc1,322959,synton_2,a80
1604CC(C)(C)c1ccc(N[U])c(Cl)c1,31526,synton_2,a80
1605COC(=O)CC(N[U])c1cccc(Cl)c1,225899,synton_2,a80
1606COCCN([U])C1CCS(=O)(=O)C1,228028,synton_2,a80
1607Fc1ccc(CN([U])CCC2=CCCCC2)cc1,461002,synton_2,a80
1608Cc1ccc(CN[U])cc1Cl,218954,synton_2,a80
1609O=S(=O)(c1ccccc1)c1ccccc1N[U],22571,synton_2,a80
1610COc1cc(CN[U])ccn1,436973,synton_2,a80
1611COc1ccc(C2CCCCN2[U])cc1,111502,synton_2,a80
1612COc1ccc2c(c1)CN([U])CCS2,56552,synton_2,a80
1613CCC(C)(C)c1ccc(Oc2ccc(N[U])cc2)cc1,219635,synton_2,a80
1614CC(C)CC1CCCN1[U],19082,synton_2,a80
1615O=C1Cc2cc(N[U])ccc2O1,62407,synton_2,a80
1616CC(C)N([U])Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1,141097,synton_2,a80
1617CS(=O)(=O)c1ccc(-c2noc(C3CCN([U])CC3)n2)cc1,315790,synton_2,a80
1618Clc1ccc(N[U])c(I)c1,12492,synton_2,a80
1619COc1cccc(-c2ccc(N[U])cc2)c1,314543,synton_2,a80
1620Fc1ccc(Oc2ccccc2CN[U])cc1,270585,synton_2,a80
1621CCCn1cnnc1CN[U],466299,synton_2,a80
1622COc1ccc(CCN([U])Cc2ccccc2Br)cc1,465159,synton_2,a80
1623[U]NCCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1OCc1ccccc1,452570,synton_2,a80
1624Fc1cccc(Oc2ccc(CN[U])cn2)c1,270422,synton_2,a80
1625CC(c1ccc(F)cc1)N([U])C1CC1,315127,synton_2,a80
1626Clc1cccc(Cl)c1CCN[U],325010,synton_2,a80
1627COc1ccc(C2CCCN2[U])cc1,48230,synton_2,a80
1628O=S1(=O)CC(N[U])C1,239673,synton_2,a80
1629Cc1cccc(OCCN[U])c1,219227,synton_2,a80
1630COC(=O)CC(CC(=O)OC)N[U],44473,synton_2,a80
1631CCOC(=O)c1cccc(N[U])c1[N+](=O)[O-],20725,synton_2,a80
1632CCOC(=O)CCC1CCN([U])CC1,100493,synton_2,a80
1633COC1CCC(N[U])CC1,48162,synton_2,a80
1634CCC(CC)N([U])Cc1ccccc1OC,464361,synton_2,a80
1635ClCCCN[U],20524,synton_2,a80
1636COc1cc(Cl)cc(CN[U])c1,479938,synton_2,a80
1637Clc1ccc(CCN[U])cc1Cl,270879,synton_2,a80
1638Brc1ccccc1CN([U])CCn1ccnc1,229254,synton_2,a80
1639FC(F)(F)c1cc(N[U])c(I)cc1Br,48941,synton_2,a80
1640CCOC(=O)CN([U])C(C)C,221599,synton_2,a80
1641O=[N+]([O-])c1ccc(CN([U])C2CCCc3ccccc32)cc1,462942,synton_2,a80
1642COc1ccc(N[U])cc1C(C)C,21514,synton_2,a80
1643Cc1ncsc1CCN[U],164411,synton_2,a80
1644CCOC(=O)C[C@H]1CC[C@H](N[U])CC1,25439,synton_2,a80
1645CC(C)N(C)[U],188855,synton_2,a80
1646[U]NCCn1ccnc1,315731,synton_2,a80
1647CC(C)(C)c1ccc(CN[U])cc1,32684,synton_2,a80
1648CCOc1cc(CN([U])C2CCCCCC2)ccc1OC,463386,synton_2,a80
1649Cc1ccc(CN([U])C(C)C)s1,141085,synton_2,a80
1650Cc1ccc(CN(C)[U])cc1,62774,synton_2,a80
1651Brc1cc(N[U])ccc1I,17013,synton_2,a80
1652FC(F)(F)c1cc(Br)ccc1N[U],40297,synton_2,a80
1653COc1ccc(CN(C)[U])cc1OC(F)F,190092,synton_2,a80
1654Clc1ccc(-n2ccnc2)c(N[U])c1,265926,synton_2,a80
1655Brc1cnc2ccc(N[U])cc2c1,61195,synton_2,a80
1656Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2[U],6057,synton_2,a80
1657CCOC(=O)C1CCC(N[U])CC1,102170,synton_2,a80
1658COc1ccccc1CC1CCN([U])CC1,443640,synton_2,a80
1659O=[N+]([O-])c1ccc2c(c1)CC(N[U])C2,307136,synton_2,a80
1660CSc1ccc([C@H](C)N[U])cc1,12186,synton_2,a80
1661CCN([U])Cc1c(F)cccc1Cl,53887,synton_2,a80
1662COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN[U],50136,synton_2,a80
1663[U]N1CCc2ncncc2C1,35074,synton_2,a80
1664CC(C)c1nc(CN(C)[U])cs1,19323,synton_2,a80
1665Cc1cccc(OCCN(C)[U])c1,224500,synton_2,a80
1666CS(=O)(=O)c1cccc(CN[U])c1,20653,synton_2,a80
1667CCN([U])CCOCCOC,174526,synton_2,a80
1668COCc1c(Br)cccc1N[U],206933,synton_2,a80
1669[U]Nc1ccc2ncccc2c1,46015,synton_2,a80
1670COC(=O)c1ccc(N[U])cc1Cl,225681,synton_2,a80
1671Cn1ncc2cc(N[U])ccc21,42034,synton_2,a80
1672Brc1cnc(Oc2ccc(N[U])cc2)nc1,36587,synton_2,a80
1673Brc1cc(Br)cc(CN[U])c1,241612,synton_2,a80
1674COC(=O)[C@H]1COCCN1[U],35834,synton_2,a80
1675Cn1nc(C(F)(F)F)c2c1CN([U])CC2,37109,synton_2,a80
1676[U]N1CCC(c2nc3ccccc3o2)CC1,102998,synton_2,a80
1677O=C1OC2(CCN([U])CC2)c2ccccc21,46404,synton_2,a80
1678Fc1ccccc1/N=C1\N=C(N[U])c2ccccc21,264061,synton_2,a80
1679[U]Nc1ccccc1-c1ccccc1,43049,synton_2,a80
1680Cc1ccc(CN(C)[U])cc1C,62039,synton_2,a80
1681Cc1ccc(C)c(OCCN(C)[U])c1,417916,synton_2,a80
1682C[C@H](N[U])c1cccc(F)c1F,3080,synton_2,a80
1683CC(C)(C)c1csc(CN[U])n1,126983,synton_2,a80
1684COC(=O)[C@@H](Cc1ccccc1)N[U],197387,synton_2,a80
1685[U]N1CCc2sccc2C1,37363,synton_2,a80
1686Cc1ccc(-c2nc3ccccc3s2)cc1N[U],159696,synton_2,a80
1687CN([U])Cc1nc2ccccc2s1,189919,synton_2,a80
1688CC(C)Cc1noc(C(C)N[U])n1,406139,synton_2,a80
1689[U]NCc1cccnc1OCc1ccccc1,270613,synton_2,a80
1690Cc1cc(N[U])c(Br)c(C)c1Br,157889,synton_2,a80
1691CN([U])Cc1ccncc1,315671,synton_2,a80
1692CCCCCCCCCCCCCN[U],320152,synton_2,a80
1693COCC(C)N([U])Cc1cccc(Br)c1,463379,synton_2,a80
1694[U]NCc1cccc2cnccc12,97195,synton_2,a80
1695CCc1cc(Br)ccc1N[U],113845,synton_2,a80
1696CSc1ccccc1CN[U],228592,synton_2,a80
1697CC(C)N([U])[C@H](C)c1ccccc1,382897,synton_2,a80
1698Cc1ccc(C(N[U])c2cccnc2)c(C)c1,464145,synton_2,a80
1699[U]NC(c1ccccc1)c1ccc2ccccc2c1,237895,synton_2,a80
1700CCN([U])CCOc1cc(C)cc(C)c1,465382,synton_2,a80
1701Cn1cnc(CN[U])c1,22312,synton_2,a80
1702CC(c1ccc(Br)cc1)N(C)[U],188894,synton_2,a80
1703Clc1cnn(CCN[U])c1,271194,synton_2,a80
1704[U]NCCc1ccc2c(c1)OCO2,332115,synton_2,a80
1705CCc1noc(CN(C)[U])n1,220083,synton_2,a80
1706Clc1ccc(SCCN[U])cc1,271359,synton_2,a80
1707CC1(C)c2ccccc2-c2ccc(N[U])cc21,16309,synton_2,a80
1708Cn1ccnc1C(N[U])c1ccc(Cl)cc1,185929,synton_2,a80
1709Fc1ccccc1COc1ccc(N[U])cc1,240022,synton_2,a80
1710COC(=O)C=C(C)N(C)[U],42239,synton_2,a80
1711CCC(CC)N([U])Cc1ccc(OC)cc1OC,463377,synton_2,a80
1712COc1cc(F)c(F)cc1CN[U],318426,synton_2,a80
1713CCOC(=O)c1cn2c(n1)CN([U])CC2,44780,synton_2,a80
1714COC(=O)c1ccccc1CN[U],46266,synton_2,a80
1715CN([U])Cc1ccc(-c2ccccn2)cc1,232356,synton_2,a80
1716Clc1cccc(CN[U])c1Cl,453858,synton_2,a80
1717Cc1ccc(Cl)c(CN[U])c1,108527,synton_2,a80
1718Cc1ccc(CN([U])C2CC2)cc1C,107290,synton_2,a80
1719[U]Nc1ccc(CCCc2ccccc2)cc1,266845,synton_2,a80
1720[U]NCc1noc(-c2cccs2)n1,241267,synton_2,a80
1721O=c1ncccn1Cc1cccc(N[U])c1,267818,synton_2,a80
1722Cc1ncsc1CCCN[U],164408,synton_2,a80
1723Cc1cc([N+](=O)[O-])ccc1N[U],157098,synton_2,a80
1724Fc1cccc(OC(F)F)c1CN[U],10893,synton_2,a80
1725CSc1ccc(-c2ccccc2N[U])cc1,377960,synton_2,a80
1726Fc1c(Cl)cc(Cl)cc1N[U],41296,synton_2,a80
1727O=S1(=O)CCC(N([U])C2CCCCC2)C1,244743,synton_2,a80
1728[U]NCCC1CCCCC1,17420,synton_2,a80
1729CCOC(=O)[C@@H]1CCCN1[U],10637,synton_2,a80
1730O=S1CCN([U])CC1,244817,synton_2,a80
1731[U]NC1=NCc2ccccc21,32851,synton_2,a80
1732CC(C)(C)OC(=O)C(COCc1ccccc1)N[U],477155,synton_2,a80
1733Cc1cc(C(C)(C)C)cc(C)c1CN[U],416595,synton_2,a80
1734[U]NCCc1nc(C2CC2)no1,242277,synton_2,a80
1735COC(=O)c1cc(N[U])ccc1Cl,28237,synton_2,a80
1736[U]NCc1ccccc1-c1ccco1,242015,synton_2,a80
1737CC(C)(C)OC(=O)[C@H]1C[C@@H](N[U])C1,67832,synton_2,a80
1738CC(N[U])c1cccc2ccccc12,392622,synton_2,a80
1739C=CCN([U])Cc1ccc(C(C)C)cc1,388183,synton_2,a80
1740CCC(N[U])C(=O)OC,452637,synton_2,a80
1741CCOC(=O)C1c2ccccc2CCN1[U],336195,synton_2,a80
1742COc1ccc(CC2CCCN2[U])cc1,202846,synton_2,a80
1743[U]Nc1cccc2ncccc12,60903,synton_2,a80
1744Cc1ccc(N[U])c(C(F)(F)F)c1,24217,synton_2,a80
1745C[C@@H](N[U])c1ccc(F)cc1F,104663,synton_2,a80
1746CC(C)N([U])Cc1ccc(C(F)(F)F)cc1,479639,synton_2,a80
1747CC(C)CCN([U])Cc1ccc(Cl)c(Cl)c1,139719,synton_2,a80
1748COc1cc2c(cc1CN[U])OCO2,201015,synton_2,a80
1749CCCN([U])C1CC1,220570,synton_2,a80
1750[U]N(CCc1ccccc1)Cc1ccccc1,315595,synton_2,a80
1751Cc1ccc(CN([U])C2CCCCC2)c(C)c1,160448,synton_2,a80
1752CC(N[U])c1nncn1C,143689,synton_2,a80
1753[U]NCCOc1ccccc1,271330,synton_2,a80
1754COC[C@H]1CCCN1[U],44302,synton_2,a80
1755C[C@@H](C(=O)OC(C)(C)C)N(C)[U],39961,synton_2,a80
1756COc1ccc(CN([U])Cc2cc(OC)cc(OC)c2)cc1,463997,synton_2,a80
1757Fc1ccccc1CN[U],30007,synton_2,a80
1758C=CCOc1ccc(C[C@@H](N[U])C(=O)OC)cc1,411568,synton_2,a80
1759CN([U])Cc1cc(-c2ccccc2)on1,224212,synton_2,a80
1760CSCCc1ccc(N[U])cc1,210861,synton_2,a80
1761CN([U])CC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,460486,synton_2,a80
1762Brc1cc(Br)cc(N[U])c1,47279,synton_2,a80
1763COc1ccc2c(c1)CCN([U])C2,65100,synton_2,a80
1764Cc1ccc(CSc2ccccc2N[U])cc1,428247,synton_2,a80
1765Clc1cccc(CN[U])c1Cl,23241,synton_2,a80
1766CCC(C)N([U])Cc1ccccn1,388172,synton_2,a80
1767Fc1ccc(Br)cc1N[U],410,synton_2,a80
1768[U]N1CC=C(c2ncccn2)CC1,20231,synton_2,a80
1769COc1ccc(C(N[U])c2ccccc2)cc1,110272,synton_2,a80
1770Fc1cc(F)c(N[U])cc1F,43587,synton_2,a80
1771CCOC(=O)CC(C)N(C)[U],177903,synton_2,a80
1772CCc1nc(CCN[U])no1,220042,synton_2,a80
1773Cn1c(C(N[U])c2ccccc2)nc2ccccc21,95818,synton_2,a80
1774CN([U])Cc1cccc2ccccc12,32762,synton_2,a80
1775[U]Nc1ccc(SCc2ccco2)cc1,403139,synton_2,a80
1776CC(N[U])c1ccc(-n2cncn2)cc1,143762,synton_2,a80
1777COC(=O)C(C)N([U])Cc1ccccc1,191188,synton_2,a80
1778[U]N1CCC2(C=Cc3ccccc32)CC1,44750,synton_2,a80
1779Cc1cccc(-c2noc(CN(C)[U])n2)c1,388886,synton_2,a80
1780CCCCCCCCCCCCN[U],17073,synton_2,a80
1781Cc1csc2nc(=O)c(-c3ccccc3N[U])nn12,459690,synton_2,a80
1782FC(F)(F)CCCN[U],43801,synton_2,a80
1783Cc1cnc(CN[U])cn1,46322,synton_2,a80
1784COC(=O)c1ccc(N[U])c(OC(F)F)c1,194569,synton_2,a80
1785CCCCC(CC)COCCCN[U],10733,synton_2,a80
1786CC(C)(C)c1ccc(N[U])cc1[N+](=O)[O-],422722,synton_2,a80
1787Fc1ccc(N[U])c(F)c1Br,35958,synton_2,a80
1788CCOCCN(C)[U],180487,synton_2,a80
1789COc1ccccc1CN([U])C1CC1,205413,synton_2,a80
1790CC(C)OC(=O)c1cccc(N[U])c1,37868,synton_2,a80
1791CCOC(=O)c1ccc(CN[U])cc1,57090,synton_2,a80
1792FC(F)(F)c1ccc(CN[U])cc1Cl,318416,synton_2,a80
1793CCOC(=O)C(Cc1ccc(Cl)cc1)N[U],443185,synton_2,a80
1794FC(F)c1cccc(N[U])c1,37905,synton_2,a80
1795Brc1cnc(Oc2cccc(N[U])c2)nc1,267965,synton_2,a80
1796[U]Nc1cccc2nc3ccccc3nc12,44648,synton_2,a80
1797COc1ccc(CCN(C)[U])cc1,99557,synton_2,a80
1798COc1cc(I)ccc1N[U],227049,synton_2,a80
1799Cc1cc(I)c(F)cc1N[U],49403,synton_2,a80
1800CCOC(=O)c1cc(N[U])cc(C(=O)OCC)c1,221447,synton_2,a80
1801[U]Nc1cccc(CSCc2ccccc2)c1,267867,synton_2,a80
1802Cc1oc(-c2ccccc2)nc1CCN[U],219549,synton_2,a80
1803CC1c2ccccc2CCN1[U],43865,synton_2,a80
1804[U]NCCCC1CCCCC1,26976,synton_2,a80
1805CC(C)n1c(CCN[U])nc2ccccc21,230000,synton_2,a80
1806C[C@@H](N[U])c1ccc(Cl)cc1Cl,116858,synton_2,a80
1807Fc1ccc(Br)c(CN[U])c1,241672,synton_2,a80
1808CN([U])Cc1cccc(C(C)(C)C)c1,224301,synton_2,a80
1809Cc1ccc(C(C)N[U])s1,143642,synton_2,a80
1810Cc1cccc([C@@H](C)N[U])c1,17771,synton_2,a80
1811[U]c1cn[nH]c1,50794,synton_1,a6
1812[U]c1c[nH]c2ncncc12,6997,synton_2,a6
1813O=c1nc[nH]c2scc([U])c12,13744,synton_2,a6
1814COc1ccc(C(=O)C(C)C)c([U])c1,202420,synton_2,a6
1815COc1cc([U])c(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,401316,synton_2,a6
1816Oc1cc(F)c([U])cc1Cl,292070,synton_2,a6
1817OCc1ccc([U])cc1OCc1ccccc1,381939,synton_2,a6
1818Fc1cc([U])cc(F)c1OCc1ccccc1,370672,synton_2,a6
1819[U]c1ccc(CN2CCNCC2)cc1,118894,synton_2,a6
1820Nc1nccc(-c2cccc([U])c2)n1,29046,synton_2,a6
1821CC(C)(C)CC(C)(C)c1ccc(O)c([U])c1,8355,synton_2,a6
1822O=C(c1ccc([U])c(F)c1)N1CCCC1,391816,synton_2,a6
1823O=S(=O)(c1ccccc1)N1CCc2cc([U])ccc21,401359,synton_2,a6
1824N[C@@H](CCO)c1ccc([U])cc1,115895,synton_2,a6
1825O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1[U],336292,synton_2,a6
1826COc1cnc2cccc([U])c2c1,464128,synton_2,a6
1827Cc1cc(C(=O)CC#N)c(C)n1-c1ccc([U])cc1,149819,synton_2,a6
1828CC(C)(C)OC(=O)n1c([Si](C)(C)C)cc2cccc([U])c21,439020,synton_2,a6
1829Oc1ncc(C(F)(F)F)cc1[U],59352,synton_2,a6
1830OCCCNCc1cc([U])ccc1F,246709,synton_2,a6
1831COC(=O)c1cc([U])c(N)cc1C,51793,synton_2,a6
1832NNc1ccccc1[U],361360,synton_2,a6
1833C=Cc1cc([U])ccc1F,257582,synton_2,a6
1834CCC(C)Oc1ccc([U])nc1,431736,synton_2,a6
1835OB(O)c1cc(OCc2ccccc2)ccc1[U],455600,synton_2,a6
1836N#Cc1c([U])cccc1B(O)O,388451,synton_2,a6
1837Oc1noc2cc([U])ccc12,67672,synton_2,a6
1838Nc1nncc(-c2ccc([U])cc2)n1,269193,synton_2,a6
1839Nc1ccc(F)nc1[U],42782,synton_2,a6
1840O=S(=O)(c1ccccc1)n1cc(I)c2cc([U])cnc21,5146,synton_2,a6
1841[U]c1cncc(N2CCNCC2)c1,229264,synton_2,a6
1842NCC(O)c1ccccc1[U],269553,synton_2,a6
1843FC(F)(F)c1cc([U])c2cc(Cl)ccc2n1,388998,synton_2,a6
1844Cn1nc(N)cc1[U],52315,synton_2,a6
1845Cc1c([U])sc2ncnc(Cl)c12,53324,synton_2,a6
1846[U]c1cccc2[nH]ccc12,15976,synton_2,a6
1847Clc1cc2cn[nH]c2cc1[U],45600,synton_2,a6
1848Cn1c(-c2ccccc2[U])n[nH]c1=S,401599,synton_2,a6
1849Clc1ccc(OCc2cccc([U])c2)cc1,366732,synton_2,a6
1850NS(=O)(=O)c1ccc(Oc2ccc(F)c([U])c2)cc1,19452,synton_2,a6
1851COc1cc([U])cc(F)c1C=O,46030,synton_2,a6
1852COC(=O)c1cc([U])ccc1O,12377,synton_2,a6
1853[U]c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,2530,synton_2,a6
1854CN(C)c1ncc([U])cc1F,439375,synton_2,a6
1855[U]c1cccc2ccoc12,15833,synton_2,a6
1856[U]c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1,58957,synton_2,a6
1857Clc1cccc([U])c1Cl,19190,synton_2,a6
1858Clc1nccc2c([U])cccc12,61849,synton_2,a6
1859COC(=O)c1n[nH]c2cc([U])ccc12,12210,synton_2,a6
1860Cc1ccc(CNCC2CCCO2)c([U])c1,160457,synton_2,a6
1861FC(F)(F)Oc1cc(I)cc([U])c1,48836,synton_2,a6
1862[U]c1cccc2[nH]cnc12,33194,synton_2,a6
1863Fc1ccc2cc([U])ccc2c1,5624,synton_2,a6
1864OC(c1ccc([U])cc1)C1CCC1,290522,synton_2,a6
1865Cc1cnc([U])c(C)c1,23269,synton_2,a6
1866CCc1ccc(-c2ccc([U])cc2)cc1,36672,synton_2,a6
1867CCSCc1ccccc1[U],385703,synton_2,a6
1868COC(=O)c1ccn(COc2ccc(Cl)cc2[U])n1,195119,synton_2,a6
1869N#Cc1cc([U])cc(C=O)c1,106029,synton_2,a6
1870NCc1c(-c2ccc([U])cc2)nc2ccccn12,375269,synton_2,a6
1871O=Cc1c(F)cc(F)cc1[U],256792,synton_2,a6
1872CCCCCC(=O)NS(=O)(=O)c1ccc(Oc2ccc([U])cc2)cc1,37826,synton_2,a6
1873Cc1cc(C(=O)C2CC2)ccc1[U],381385,synton_2,a6
1874NCc1cccc([U])c1,98513,synton_2,a6
1875CCOC(=O)C1CCN(c2cncc([U])c2)CC1,6134,synton_2,a6
1876Nc1[nH]ncc1-c1ccccc1[U],269256,synton_2,a6
1877O=C(c1ccc([U])cc1F)N1CCCC1,391930,synton_2,a6
1878C[C@H](N)c1ccc([U])nc1,7145,synton_2,a6
1879O=C1CC(=O)c2cc([U])ccc2N1,56438,synton_2,a6
1880CCOC(=O)c1cn2cccc([U])c2n1,1929,synton_2,a6
1881Nc1ccc([U])c(F)n1,48926,synton_2,a6
1882Cn1c(=O)[nH]c(=O)c2[nH]c([U])nc21,100467,synton_2,a6
1883COc1ccc([U])cc1OC,41567,synton_2,a6
1884CCOC(=O)c1cn2c([U])cccc2n1,101901,synton_2,a6
1885[U]c1ccc(N2CCOCC2)nc1,34886,synton_2,a6
1886Cc1cc([U])cnc1-n1cnnc1,430848,synton_2,a6
1887COC(=O)c1sc2cc([U])ccc2c1N,195714,synton_2,a6
1888Cc1cc(B2OC(C)(C)C(C)(C)O2)cc([U])c1C,95148,synton_2,a6
1889[U]c1cccc(OC2CCNCC2)c1,212750,synton_2,a6
1890O=C(/C=C/c1ccccc1)c1ccc([U])cc1,318906,synton_2,a6
1891O=CC(=O)c1cccc([U])c1,119211,synton_2,a6
1892Cc1cc([U])cn2ccnc12,13472,synton_2,a6
1893Cn1cc([U])c2c(Cl)ncnc21,42906,synton_2,a6
1894Oc1cnccc1[U],17970,synton_2,a6
1895Cc1ncc([U])n1C,57769,synton_2,a6
1896CC(C)COc1ccc2cc([U])ccc2c1,364033,synton_2,a6
1897Cc1cc([U])c(N)cc1C(F)(F)F,218455,synton_2,a6
1898OCc1ncccc1[U],13428,synton_2,a6
1899Cc1ccc2cn[nH]c2c1[U],64265,synton_2,a6
1900COc1cc([U])ncn1,42532,synton_2,a6
1901CCN(CC)c1ccc([U])cc1,34522,synton_2,a6
1902[U]c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1,52044,synton_2,a6
1903N#Cc1ccc(N2CCCC2)c([U])c1,416187,synton_2,a6
1904CCOc1cccc([U])c1C#N,381122,synton_2,a6
1905FC(F)(F)c1cc([U])cc(C(F)(F)F)c1,7636,synton_2,a6
1906O=C(c1ccc([U])cc1)N1CCOCC1,427952,synton_2,a6
1907COC(=O)c1ccc2ncc([U])n2c1,4292,synton_2,a6
1908CS(=O)(=O)Nc1ccccc1[U],209778,synton_2,a6
1909[U]c1cnc2c(c1)CCCN2,119668,synton_2,a6
1910O=Cc1cc2c(cc1[U])OCO2,7616,synton_2,a6
1911Fc1cc([U])cc2cc[nH]c12,51267,synton_2,a6
1912CC1=Nc2ccc([U])cc2C1(C)C,111319,synton_2,a6
1913Cc1ccc2nc([U])ccc2c1,378734,synton_2,a6
1914COc1cc([U])ccc1OC(F)(F)F,28457,synton_2,a6
1915CCOC(=O)c1nc2cc(F)ccn2c1[U],315103,synton_2,a6
1916CC(O)c1nc2ncc([U])cc2[nH]1,144711,synton_2,a6
1917CNC(=O)COc1ccc([U])c(N)c1,9177,synton_2,a6
1918COc1ccc([U])nc1OC,386168,synton_2,a6
1919O=Cc1ccc(-c2ccc([U])cc2F)o1,396128,synton_2,a6
1920N#Cc1ccc(O)cc1[U],6312,synton_2,a6
1921CS(=O)(=O)N1CCc2cc([U])ccc2C1,312199,synton_2,a6
1922Cc1c([U])c(O)nc2ccccc12,155401,synton_2,a6
1923FC(F)(F)c1ncccc1[U],49242,synton_2,a6
1924OB(O)c1ccc([U])c(C(F)(F)F)c1,311933,synton_2,a6
1925COc1ccc2ccccc2c1[U],61014,synton_2,a6
1926COc1ccc([U])cc1OCC#N,369654,synton_2,a6
1927O=Cc1cc([U])c(F)cc1Cl,104715,synton_2,a6
1928Cc1cc(O)ncc1[U],158342,synton_2,a6
1929Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1[U],23123,synton_2,a6
1930Cc1cc([U])ccc1OCc1ccccc1,156099,synton_2,a6
1931Nc1ccc([U])c2cccnc12,239911,synton_2,a6
1932Fc1cc(CN2CCOCC2)ccc1[U],467446,synton_2,a6
1933CC(C)NCc1ccccc1[U],141116,synton_2,a6
1934C=C(C)c1cncc([U])c1,38118,synton_2,a6
1935Nc1[nH]ncc1-c1ccc([U])cc1,340635,synton_2,a6
1936COc1cc([U])c(Cl)cn1,46996,synton_2,a6
1937Fc1c(I)cccc1[U],428,synton_2,a6
1938NC(=O)CCc1ccc([U])cc1F,382549,synton_2,a6
1939CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc([U])cc1,42103,synton_2,a6
1940COC(=O)c1cc([U])c(OC)s1,54650,synton_2,a6
1941O=c1[nH]c2c([U])cc(F)cc2c(=O)o1,256410,synton_2,a6
1942CCCOc1ncccc1[U],59234,synton_2,a6
1943NCc1ncc([U])cc1Cl,106936,synton_2,a6
1944CO/C=C/c1cccnc1[U],475038,synton_2,a6
1945[U]c1cnn(C2CCCNC2)c1,391527,synton_2,a6
1946CCOC(=O)c1ccc2nc([U])sc2c1,24336,synton_2,a6
1947NCc1cncc([U])c1,116492,synton_2,a6
1948Cc1[nH]c2ccc([U])cc2c1C,21207,synton_2,a6
1949O=C(NCc1ccccc1)c1ccc([U])c2ccccc12,390684,synton_2,a6
1950CCOc1cc(N)c([U])cc1OCC,179489,synton_2,a6
1951[U]c1ccc(-n2cccc2)cc1,393159,synton_2,a6
1952Clc1ccnc2[nH]cc([U])c12,43403,synton_2,a6
1953Nc1ccc([U])c(OC(F)(F)F)c1,114378,synton_2,a6
1954N#Cc1ccc([U])cc1I,85,synton_2,a6
1955FC(F)(F)Oc1ccc([U])c(I)c1,389435,synton_2,a6
1956CC(=O)Oc1ccccc1[U],49276,synton_2,a6
1957Nc1ncc(C(F)(F)F)cc1[U],55571,synton_2,a6
1958Clc1ccc([U])cc1I,24021,synton_2,a6
1959COC(=O)c1cc([U])ccc1Br,385,synton_2,a6
1960CCOC(=O)c1cc([U])n(C)n1,2647,synton_2,a6
1961O=C(c1ccc([U])cc1F)C(F)(F)F,256469,synton_2,a6
1962COCCCNCCOc1ccc2ccccc2c1[U],464987,synton_2,a6
1963CCc1cccc([U])c1,61592,synton_2,a6
1964Cc1nc(N2CCOCC2)ccc1[U],384968,synton_2,a6
1965O=C1C(=O)N(Cc2ccc([U])cc2)c2ccccc21,8883,synton_2,a6
1966Cn1cc([U])ncc1=O,38832,synton_2,a6
1967Cc1ccc(S(=O)(=O)n2cnc([U])c2)cc1,382799,synton_2,a6
1968[U]c1ccccn1,5900,synton_2,a6
1969O=Cc1cccc(C(F)(F)F)c1[U],312260,synton_2,a6
1970[U]c1cccc(-c2cccc3oc4ccccc4c23)c1,65433,synton_2,a6
1971Cc1c([U])cnc2n[nH]nc12,411661,synton_2,a6
1972[U]c1csc(-c2ccccc2)n1,385199,synton_2,a6
1973CCOc1c([U])cc(C)cc1C=O,110778,synton_2,a6
1974CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NCc3cccc([U])c3)nc(Cl)nc21,57053,synton_2,a6
1975CC(=O)c1ccc([U])s1,20345,synton_2,a6
1976Cc1cnc([U])c(Cl)c1,15553,synton_2,a6
1977CC(C)(C)OC(=O)Nc1nc2c([U])cccc2s1,55964,synton_2,a6
1978Fc1ccc([U])c(F)c1,63533,synton_2,a6
1979Clc1ccc2cc([U])ccc2n1,64987,synton_2,a6
1980COc1ccc([U])cc1C(F)(F)F,61682,synton_2,a6
1981O=C1CCN(C(=O)c2ccc([U])cc2)CC1,44847,synton_2,a6
1982Cc1cc(N)cc([U])c1,315829,synton_2,a6
1983CCc1ccc([U])c(Br)c1,333569,synton_2,a6
1984COc1ncc([U])cn1,10907,synton_2,a6
1985NNc1cc([U])ccn1,23995,synton_2,a6
1986CC(=S)Oc1ccc([U])cc1,439724,synton_2,a6
1987CCCOc1cc(F)ccc1[U],362840,synton_2,a6
1988OB(O)c1cc(C(F)(F)F)cnc1[U],416864,synton_2,a6
1989O=Cc1cc(F)c(O)c([U])c1,13287,synton_2,a6
1990Cn1ccc([U])c(Cl)c1=O,36940,synton_2,a6
1991Cc1cccc([U])c1Cl,65299,synton_2,a6
1992Cn1ncc2ncc([U])cc21,30258,synton_2,a6
1993COc1nc(C)ccc1[U],27276,synton_2,a6
1994COC(=O)c1cc([U])cc(C(=O)OC)c1,9282,synton_2,a6
1995CCOc1ccc([U])cc1OCC,179771,synton_2,a6
1996COC(=O)c1cc2ccc([U])cc2[nH]1,4951,synton_2,a6
1997Cc1cc([U])cc(F)c1N,113275,synton_2,a6
1998O=C(c1ccccc1)c1ccccc1[U],31420,synton_2,a6
1999COCCOc1cc(Cl)ccc1[U],381242,synton_2,a6
2000Nc1cc2[nH]c(=O)[nH]c2cc1[U],266269,synton_2,a6
2001CCOC(=O)c1cc2c([U])cccc2[nH]1,26757,synton_2,a6
2002OB(O)c1cc(C(F)(F)F)cc([U])c1Cl,312107,synton_2,a6
2003[U]c1ccc(-c2csnn2)cc1,118737,synton_2,a6
2004[U]c1ccc(/N=N/N2CCCC2)cc1,118681,synton_2,a6
2005Cc1cccnc1[U],41456,synton_2,a6
2006CCCCc1ccc(N)c([U])c1,338865,synton_2,a6
2007COc1ccc(OC)c([U])c1,10816,synton_2,a6
2008NS(=O)(=O)c1cc(C(F)(F)F)ccc1[U],313423,synton_2,a6
2009NS(=O)(=O)c1ccccc1[U],64415,synton_2,a6
2010OCc1cc(F)cc([U])c1F,31792,synton_2,a6
2011Cc1ccc(Cl)nc1[U],101760,synton_2,a6
2012COC(=O)c1ccc2c([U])ccnc2c1,30735,synton_2,a6
2013Nc1c[nH]nc1[U],487,synton_2,a6
2014O=c1ccnc2ccc([U])cn12,11153,synton_2,a6
2015OC(c1ccccc1)c1ccc([U])cc1,115289,synton_2,a6
2016Fc1cc(Cl)c(Cl)cc1[U],62466,synton_2,a6
2017CCOC(=O)c1sc([U])nc1C(F)(F)F,61206,synton_2,a6
2018N#Cc1c(N)c([U])cc(Cl)c1F,373205,synton_2,a6
2019COc1cc(C)c([U])cc1Cl,199402,synton_2,a6
2020CCOc1cc(C=O)ccc1OCc1cccc([U])c1,401157,synton_2,a6
2021O=C1CCc2ccc(F)c([U])c21,41746,synton_2,a6
2022Cc1cnc([U])n1C,319322,synton_2,a6
2023Nc1cc([U])cc2cn[nH]c12,65836,synton_2,a6
2024[U]c1cccc(C2OCCCO2)c1,119268,synton_2,a6
2025Cc1cc([U])c(C)nc1Cl,57920,synton_2,a6
2026N#Cc1cc([U])cnc1Cl,13905,synton_2,a6
2027FC(F)Oc1ccccc1[U],5549,synton_2,a6
2028Ic1cnccc1[U],25692,synton_2,a6
2029FC(F)(F)Oc1cccc([U])c1,53137,synton_2,a6
2030CCOC(=O)c1cn(C(C)OCC)nc1[U],314415,synton_2,a6
2031CC(C)(C)OC(=O)N1CCC(n2cc([U])cn2)CC1,22242,synton_2,a6
2032CC(C)c1csc([U])n1,138020,synton_2,a6
2033Cc1noc(-c2ccc([U])cc2)c1NC(=O)O[C@H](C)c1ccccc1,63399,synton_2,a6
2034[U]c1ccc(OC2CCOCC2)cc1,108767,synton_2,a6
2035N#Cc1cc([U])c(N)cc1F,437505,synton_2,a6
2036N#Cc1ccc(N)c([U])c1,52908,synton_2,a6
2037Cc1nc([U])c2cnccn12,14276,synton_2,a6
2038COc1ccc(N)c([U])n1,4966,synton_2,a6
2039OC(c1cc([U])cc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,433306,synton_2,a6
2040FC(F)c1ccc([U])s1,67952,synton_2,a6
2041Fc1ccc(CN2CCOCC2)cc1[U],461148,synton_2,a6
2042Nc1cccc([U])c1,11832,synton_2,a6
2043COc1cccc(Cl)c1[U],37315,synton_2,a6
2044CC(C)Oc1cnc([U])cn1,419584,synton_2,a6
2045Cc1c([U])c[nH]c(=O)c1N,31944,synton_2,a6
2046Fc1cc([U])c(I)cc1C(F)(F)F,380697,synton_2,a6
2047CCCc1cc(-c2nc(-c3ccc([U])cc3)cs2)ccn1,397949,synton_2,a6
2048Nc1ncc([U])cc1Cl,56500,synton_2,a6
2049CC(C)(C)N1C(=O)c2ccc([U])cc2C1O,381204,synton_2,a6
2050Nc1cc([U])n[nH]1,54709,synton_2,a6
2051Cc1nc([U])ccc1C#N,56540,synton_2,a6
2052OB(O)c1ccc([U])cc1,42357,synton_2,a6
2053[U]c1ccc(Cc2ccccc2)cc1,332395,synton_2,a6
2054CC1(C)OB(c2cc([U])c(Cl)s2)OC1(C)C,17244,synton_2,a6
2055[U]c1ccc(OCc2ccccc2)cn1,26357,synton_2,a6
2056NNc1ccncc1[U],314224,synton_2,a6
2057Clc1nc2cc([U])ccc2s1,7349,synton_2,a6
2058CC(C)(C)OC(=O)n1cc([U])c2ccccc21,9782,synton_2,a6
2059C[C@@H](N)c1cccc([U])c1,28934,synton_2,a6
2060Nc1c[nH]c(=O)c([U])c1,263921,synton_2,a6
2061[U]c1ccnc2cc[nH]c12,15407,synton_2,a6
2062CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)cc1[U],179938,synton_2,a6
2063Cc1cc([U])cnc1C#N,64066,synton_2,a6
2064CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc([U])cc1,28134,synton_2,a6
2065Cn1ncnc1[U],67793,synton_2,a6
2066O=Cc1cc(C(F)(F)F)ncc1[U],102530,synton_2,a6
2067Cn1nc([U])c(=O)n(C)c1=O,187173,synton_2,a6
2068O=C(CN1CCOCC1)c1ccc([U])cc1,378532,synton_2,a6
2069NCc1cc([U])ccn1,66138,synton_2,a6
2070Nc1cc([U])cc(N)n1,27821,synton_2,a6
2071COc1ccc(C)c([U])c1,31699,synton_2,a6
2072CCNC(=O)c1ccc([U])cc1,174041,synton_2,a6
2073[U]c1cccc2ocnc12,57392,synton_2,a6
2074Fc1cccc([U])c1C(F)F,255090,synton_2,a6
2075Cc1ccc(N2CCCCC2)cc1[U],389261,synton_2,a6
2076CC(C)(C)[Si](C)(C)n1ccc2ccc([U])cc21,116281,synton_2,a6
2077[U]c1ccc2cc(-c3ccccc3)[nH]c2c1,37078,synton_2,a6
2078Nc1cc(Cl)cc([U])c1F,17168,synton_2,a6
2079COC(=O)Cc1ccccc1[U],1379,synton_2,a6
2080NNCc1ccccc1[U],32715,synton_2,a6
2081CCOc1cc([U])ccc1C(=O)NC(C)C,383074,synton_2,a6
2082CC(=O)Oc1c[nH]c2ccc([U])cc12,25881,synton_2,a6
2083Clc1cc([U])cc2cc[nH]c12,33950,synton_2,a6
2084Cc1ccc([U])cc1F,44939,synton_2,a6
2085COC(=O)c1cc(OC(F)(F)F)ccc1[U],194079,synton_2,a6
2086CCOc1ccc([U])cc1C,55245,synton_2,a6
2087O=C1CCCc2nc(-c3ccc([U])cc3)sc21,118740,synton_2,a6
2088Cc1ccsc1[U],32723,synton_2,a6
2089COC(=O)c1cccc([U])c1,35494,synton_2,a6
2090CC(=O)Oc1ccc([U])c(C=O)c1,417832,synton_2,a6
2091Oc1c(Cl)cc(Cl)cc1[U],291926,synton_2,a6
2092CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccccc2[U])C1,391520,synton_2,a6
2093CCOC(=O)c1[nH]c(C)c([U])c1C,177516,synton_2,a6
2094Cc1cc2cc([U])ccc2nc1Cl,114511,synton_2,a6
2095Cc1ccc(S(=O)(=O)n2ccc3c([U])ccnc32)cc1,24003,synton_2,a6
2096CCOC(C)Oc1ccc2cc([U])ccc2c1,315841,synton_2,a6
2097Nc1ccc2scnc2c1[U],11463,synton_2,a6
2098Cn1ccnc1[U],3884,synton_2,a6
2099O=Cc1c(F)cc([U])c(F)c1F,319165,synton_2,a6
2100N#CCc1nc2ccc([U])cc2c(=O)[nH]1,119120,synton_2,a6
2101COC(=O)c1cc(O)c([U])c(O)c1,53794,synton_2,a6
2102Cc1ccc([U])c(C(=O)NN)c1,479894,synton_2,a6
2103CCC(C(=O)NN)n1cc([U])cn1,165673,synton_2,a6
2104O=C1Cc2cc([U])ccc2N1,54958,synton_2,a6
2105[U]c1cccc(-c2ccc(CN3CCNCC3)s2)c1,119223,synton_2,a6
2106O=c1cc([U])cn[nH]1,54053,synton_2,a6
2107COc1cc(CO)ccc1[U],27874,synton_2,a6
2108CC1(C)OB(c2c(F)cccc2[U])OC1(C)C,105322,synton_2,a6
2109COC(=O)c1cccc(OC)c1[U],312032,synton_2,a6
2110COc1c(F)cc(Cl)cc1[U],319299,synton_2,a6
2111COC(=O)c1ccc([U])c2ncccc12,7551,synton_2,a6
2112O=Cc1csc(-c2cccc([U])c2)n1,119233,synton_2,a6
2113O=C(Nc1ccc([U])cc1)C1CC1,39026,synton_2,a6
2114CC(C)(C)n1c(=O)[nH]c2cc([U])c(F)cc21,392859,synton_2,a6
2115Cc1ccc([U])c2ccccc12,20079,synton_2,a6
2116O=C(NC1CCCCC1)c1ccccc1[U],376746,synton_2,a6
2117CC1(C)OB(c2cc([U])cc3c2OCO3)OC1(C)C,107401,synton_2,a6
2118Cc1cc([U])cc2nccnc12,9083,synton_2,a6
2119[U]c1ccc(OCc2ccccc2)cc1,32682,synton_2,a6
2120CC(C)N(CCOc1ccc([U])cc1)C(C)C,365467,synton_2,a6
2121Cc1cc([U])cnc1Cl,64580,synton_2,a6
2122COC(=O)c1ccc(Oc2ncc([U])cn2)cc1,7951,synton_2,a6
2123OCc1ccc([U])nc1,43900,synton_2,a6
2124COc1cccc(F)c1[U],7312,synton_2,a6
2125O=C(NCCO)c1ccc([U])cc1,350816,synton_2,a6
2126Cc1cc([U])c2ncccc2c1,155979,synton_2,a6
2127Ic1ccc2c(c1)Cc1cc([U])ccc1-2,16534,synton_2,a6
2128CC(C)(C)Oc1cccc([U])n1,66980,synton_2,a6
2129Cc1cc([U])ccc1NN,218669,synton_2,a6
2130CC(C)(C)OC(=O)NCCc1ccccc1[U],134990,synton_2,a6
2131CC(C)c1cc(F)cc([U])c1N,66447,synton_2,a6
2132[U]c1c[nH]c2cnccc12,117251,synton_2,a6
2133CCCCCCCCC(=O)c1ccc([U])cc1,429576,synton_2,a6
2134Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc([U])cc32)cc1,41585,synton_2,a6
2135COC(=O)c1cc([U])cn2ccnc12,19202,synton_2,a6
2136[U]c1cnn2ccccc12,35134,synton_2,a6
2137Fc1cccc2[nH]nc([U])c12,41990,synton_2,a6
2138O=Cc1cc(Cl)c([U])cc1F,996,synton_2,a6
2139CC(=O)c1cc([U])cnc1C,47217,synton_2,a6
2140Cc1ccc(S(=O)(=O)NC(C)C)cc1[U],385430,synton_2,a6
2141CCCCc1ccc([U])cc1,4594,synton_2,a6
2142NNC(=O)CCC(=O)Nc1ccc([U])cc1,395788,synton_2,a6
2143Cc1cc([U])ccc1Cl,39323,synton_2,a6
2144CCn1cc([U])ccc1=O,56084,synton_2,a6
2145Cc1nc(O)c(C#N)c(C)c1[U],8958,synton_2,a6
2146Cc1ccc2ccc([U])cc2n1,54533,synton_2,a6
2147NNC(=O)c1ccc(F)c([U])c1,389445,synton_2,a6
2148O=C(c1ccccc1[U])N1CCCCC1,378428,synton_2,a6
2149[U]c1nc(-c2ccccn2)cs1,354593,synton_2,a6
2150Fc1ccc([U])cc1C(F)(F)F,1011,synton_2,a6
2151Cc1ccc(C=O)c([U])n1,32770,synton_2,a6
2152[U]c1cncc(-c2ccccc2)c1,2345,synton_2,a6
2153FC(F)(F)c1cc(-c2ccc([U])cc2)cc(C(F)(F)F)c1,316022,synton_2,a6
2154COc1ccc2c(c1)c([U])cn2C(=O)OC(C)(C)C,392117,synton_2,a6
2155C[C@@H](NC(=O)OC(C)(C)C)c1ccc([U])cc1,25720,synton_2,a6
2156[U]c1cc2cc[nH]c2cn1,17823,synton_2,a6
2157COc1cc([U])nc(OC)n1,3314,synton_2,a6
2158Cc1n[nH]c2cnc([U])cc12,38245,synton_2,a6
2159CCOc1ccc([U])c(B(O)O)c1F,387344,synton_2,a6
2160COc1ccc(C=O)cc1OCc1cccc([U])c1,395987,synton_2,a6
2161CCOc1ccc(F)c(B(O)O)c1[U],60949,synton_2,a6
2162CCCCCCCCc1ccsc1[U],21666,synton_2,a6
2163COC(=O)c1cnc(N)nc1-c1cccc([U])c1,389254,synton_2,a6
2164COc1ccc(/C=C/C(C)=O)cc1[U],388431,synton_2,a6
2165CC(C)(C)NC(=O)c1ccc([U])cc1,14043,synton_2,a6
2166OC1(c2ccc([U])cc2)CCNCC1,246264,synton_2,a6
2167FC(F)(F)Cn1cc([U])cn1,42473,synton_2,a6
2168Cc1cc(C#N)cnc1[U],22907,synton_2,a6
2169CC(=O)Oc1ccc([U])cc1C,125707,synton_2,a6
2170Clc1ncc2c([U])c[nH]c2n1,7251,synton_2,a6
2171[U]c1ccc(C2=CCCCC2)cc1,118725,synton_2,a6
2172FC(F)(F)c1ccnc([U])c1,236451,synton_2,a6
2173Fc1cncc([U])c1,18332,synton_2,a6
2174N[C@@H](CO)c1cccc([U])c1,31912,synton_2,a6
2175O=C1OC(=O)c2cc([U])ccc21,3005,synton_2,a6
2176COc1c(C)cc([U])nc1Cl,59022,synton_2,a6
2177Nc1c(Cl)cc(C(F)(F)F)cc1[U],38889,synton_2,a6
2178COc1ccc(-c2nc(-c3ccc([U])cc3)no2)cc1,378726,synton_2,a6
2179C[C@H](N)c1ccc([U])cc1,49443,synton_2,a6
2180COC(=O)c1noc2cc([U])ccc12,36629,synton_2,a6
2181[U]c1cccc2ccccc12,9653,synton_2,a6
2182O=c1cc(C(F)(F)F)c2cc([U])ccc2[nH]1,357,synton_2,a6
2183Oc1cc2[nH]ncc2cc1[U],47813,synton_2,a6
2184[U]c1cc(-c2ccccc2)nc(-c2ccccc2)n1,20766,synton_2,a6
2185COc1cc(C#N)c([U])cc1OC(C)C,435995,synton_2,a6
2186O=C1Cc2ccc([U])cc2CN1,32779,synton_2,a6
2187COC(=O)c1ccc(C)c([U])c1,34894,synton_2,a6
2188FC(F)(F)c1cc([U])c2cn[nH]c2c1,24410,synton_2,a6
2189COc1cc([U])cnc1OC,56020,synton_2,a6
2190Cc1cnc([U])c(N)c1,37003,synton_2,a6
2191Nc1c(F)cc([U])cc1Cl,4106,synton_2,a6
2192Fc1cc([U])ccc1CN1CCOCC1,38358,synton_2,a6
2193O=Cc1ccc(C=O)c([U])c1,64757,synton_2,a6
2194COc1c([U])ccc(F)c1O,379629,synton_2,a6
2195CC(C)(C)C(=O)N1CCN(c2ccc([U])cc2)CC1,388601,synton_2,a6
2196Nc1ccc([U])cn1,21943,synton_2,a6
2197COc1cc(N)c(N)cc1[U],20691,synton_2,a6
2198FC(F)c1cccc([U])n1,67243,synton_2,a6
2199COCCCC(=O)c1ccc([U])cc1,207334,synton_2,a6
2200[U]c1nc(-c2ccccc2)cc(-c2ccccc2)n1,15750,synton_2,a6
2201Cn1ncc([U])c1B1OC(C)(C)C(C)(C)O1,58831,synton_2,a6
2202COc1nc([U])ccc1C=O,25980,synton_2,a6
2203Cc1cc(C)c([U])c(C)c1,46899,synton_2,a6
2204O=C1CCN(c2ncc([U])cn2)CC1,119619,synton_2,a6
2205C[n+]1cccc([U])c1,354455,synton_2,a6
2206Nc1nnc(-c2ccc([U])cc2)[nH]1,264620,synton_2,a6
2207N#CCc1c(Cl)cccc1[U],25726,synton_2,a6
2208CCOC(=O)c1cn2c(C)c([U])ccc2n1,3136,synton_2,a6
2209CCOc1ccc([U])c(F)c1,66418,synton_2,a6
2210Cc1[nH]nc(C(F)(F)F)c1[U],39812,synton_2,a6
2211N#Cc1cccc(F)c1[U],8548,synton_2,a6
2212Clc1cnc([U])c2ccccc12,10904,synton_2,a6
2213Cc1cccc2ncc([U])n12,50257,synton_2,a6
2214COC(=O)C(C)n1nc(C)c([U])c1C,191167,synton_2,a6
2215Oc1ncc([U])cc1C(F)(F)F,38250,synton_2,a6
2216O=c1c([U])c[nH]c2c(F)cccc12,314066,synton_2,a6
2217Cc1cc(Cl)cc([U])c1,157529,synton_2,a6
2218CNC(=O)c1ccc([U])cc1,10944,synton_2,a6
2219COC(OC)c1c(F)cccc1[U],391604,synton_2,a6
2220[U]c1ccccc1-c1ncc[nH]1,29473,synton_2,a6
2221Cc1cccc(C)c1[U],44320,synton_2,a6
2222Clc1nc2cccc([U])c2s1,797,synton_2,a6
2223Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3)c2[U])cc1,159073,synton_2,a6
2224Cc1ncsc1-c1nc2ncc([U])cc2[nH]1,164397,synton_2,a6
2225CN(C)C(=O)c1cc(F)cc([U])c1,417518,synton_2,a6
2226COC(=O)c1cc([U])c(NC(C)=O)cc1Cl,6488,synton_2,a6
2227Nc1nc(-c2ccc(-c3ccc([U])cc3)cc2)cs1,375184,synton_2,a6
2228CC(C)(C)[Si](C)(C)OCc1ccc([U])cc1N,136276,synton_2,a6
2229CCOC(=O)c1cn2c([U])cc(C)cc2n1,311833,synton_2,a6
2230Oc1cc(Cl)c([U])cc1Cl,292044,synton_2,a6
2231[U]c1cccc(OC2CC2)c1,114623,synton_2,a6
2232NNC(=O)c1[nH]c2ccccc2c1[U],312219,synton_2,a6
2233Cc1cc(Cl)c([U])cc1F,26353,synton_2,a6
2234O=C1CCCN1c1cccc([U])c1,119278,synton_2,a6
2235CCCc1ccc([U])cc1,36006,synton_2,a6
2236[U]c1cnn(C2COC2)c1,108419,synton_2,a6
2237OB(O)c1ccc([U])cc1F,40630,synton_2,a6
2238N#CCc1cc([U])ccc1OC(F)(F)F,312468,synton_2,a6
2239CCOC(=O)c1ccc([U])cc1,66459,synton_1,a6
2240COc1cccc([U])c1F,22736,synton_1,a6
2241CCCCOc1ccc(F)cc1[U],107720,synton_1,a6
2242Cc1ccc(C(F)(F)F)cc1[U],100558,synton_1,a6
2243COc1cnc(Br)cc1[U],436612,synton_1,a6
2244[U]c1cccc2c1oc1ccccc12,2318,synton_1,a6
2245CC(C)Oc1ncc([U])cn1,29519,synton_1,a6
2246CCCCOc1cc([U])cc(C=O)c1,99767,synton_1,a6
2247Cc1nc(N)ncc1[U],50420,synton_1,a6
2248Clc1ncc([U])cn1,55224,synton_1,a6
2249[U]c1ccccc1,19384,synton_1,a6
2250COC(=O)c1cc([U])ccc1C,5998,synton_1,a6
2251O=C(NCCO)c1cccc([U])c1,101451,synton_1,a6
2252CC(=O)c1ccc([U])cc1Cl,37705,synton_1,a6
2253[U]c1ccc(N2CCNCC2)cc1,392324,synton_1,a6
2254O=C1c2ccccc2C(=O)N1Cc1cccc([U])c1,451690,synton_1,a6
2255CC(C)OCc1cccc([U])c1,24068,synton_1,a6
2256CN(C)Cc1cccc([U])c1,380916,synton_1,a6
2257COC(=O)c1cccc([U])c1,1674,synton_1,a6
2258Cc1ccc(S(=O)(=O)n2cccc2[U])cc1,388676,synton_1,a6
2259[U]c1ccc2c(c1)c1ccccc1n2Cc1ccccc1,392551,synton_1,a6
2260Cc1ccc([U])cc1C(F)(F)F,30693,synton_1,a6
2261[U]c1cccc2cn[nH]c12,28072,synton_1,a6
2262O=C(c1ccccc1)c1ccc([U])cc1,1135,synton_1,a6
2263FC(F)n1cc([U])cn1,47777,synton_1,a6
2264[U]c1ccc2c(c1)CCCC2,109487,synton_1,a6
2265Oc1ccc(Cl)cc1[U],14860,synton_1,a6
2266OCc1cccc([U])c1,453410,synton_1,a6
2267CC(C)(C#N)c1ccc([U])cc1,104492,synton_1,a6
2268O=[N+]([O-])c1ccc(Cl)c([U])c1,26731,synton_1,a6
2269Cc1ccc([U])c(Br)c1,41790,synton_1,a6
2270[U]c1cccc2c1CCC2,11127,synton_1,a6
2271Brc1cccc([U])c1,12048,synton_1,a6
2272FC(F)(F)c1ccc(Cl)c([U])c1,44,synton_1,a6
2273Cc1ccccc1[U],35971,synton_1,a6
2274[U]c1ccc2c3ccccc3n(-c3ccccc3)c2c1,59060,synton_1,a6
2275COc1ccc(COc2cc([U])cc(Cl)n2)cc1,103321,synton_1,a6
2276COc1cccc(Cl)c1[U],61066,synton_1,a6
2277CC1(C)c2ccccc2-c2ccc(-c3cccc([U])c3)cc21,116025,synton_1,a6
2278Cc1cccc([U])c1O,114092,synton_1,a6
2279CCCOc1c(Cl)cc([U])cc1OC,380676,synton_1,a6
2280[U]c1ccc(CNC2CCCC2)cc1,381379,synton_1,a6
2281Clc1ccccc1C[U],277692,synton_1,a6
2282O=Cc1cccc([U])c1F,107582,synton_1,a6
2283COc1c([U])ccc(Cl)c1Cl,107241,synton_1,a6
2284[U]C1=CCC2(CC1)OCCO2,298418,synton_1,a6
2285O=S(=O)(c1ccc([U])c(C(F)(F)F)c1)N1CCOCC1,379865,synton_1,a6
2286O=Cc1ccc(OCc2ccccc2)cc1[U],105916,synton_1,a6
2287C[Si](C)(C)CCOCn1cc([U])cn1,11783,synton_1,a6
2288FC(F)(F)c1ccncc1[U],48137,synton_1,a6
2289CC(C)(C)OC(=O)N1CCC(=C[U])CC1,45933,synton_1,a6
2290COc1ccc(CN(C(C)(C)C)S(=O)(=O)c2ccc([U])cc2)cc1,386843,synton_1,a6
2291[U]c1cnn(C2CCOC2)c1,13566,synton_1,a6
2292Fc1ccc([U])c(C(F)(F)F)c1,50218,synton_1,a6
2293COc1ncc([U])cn1,110661,synton_1,a6
2294COc1cc([U])cc(OC(F)(F)F)c1,100164,synton_1,a6
2295O=C(O)Cc1ccc([U])cc1,12730,synton_1,a6
2296[U]c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,116453,synton_1,a6
2297[U]c1ccc(-c2ccccc2)cc1,45419,synton_1,a6
2298Nc1ccccc1Oc1ccc([U])cc1,387824,synton_1,a6
2299Fc1cc(Br)cc(Br)c1[U],386083,synton_1,a6
2300CN(C)CCNC(=O)c1ccc([U])cc1,52368,synton_1,a6
2301COc1ccc(Cl)c([U])c1,444970,synton_1,a6
2302O=C(O)c1ccc([U])c([N+](=O)[O-])c1,1600,synton_1,a6
2303O=S(=O)(c1ccccc1)n1c([U])cc2ccccc21,379247,synton_1,a6
2304CCCCS(=O)(=O)Nc1ccc([U])cc1,388479,synton_1,a6
2305[U]c1ccc2c(c1)c1ccccc1n2-c1ccccc1,24912,synton_1,a6
2306O=Cc1cc([U])cc(OC(F)(F)F)c1,96487,synton_1,a6
2307CC(C)(C)OC(=O)N1CCC=C([U])C1,304744,synton_1,a6
2308O=C(NC1CCCCC1)c1cc([U])ccc1Cl,111351,synton_1,a6
2309COC(=O)c1cc2cc([U])ccc2s1,375384,synton_1,a6
2310O=[N+]([O-])c1cc([U])ccc1Cl,54520,synton_1,a6
2311C[Si](C)(C)c1cccc([U])c1,45469,synton_1,a6
2312FC(F)c1cccc([U])c1,33606,synton_1,a6
2313Fc1cncc([U])c1,13574,synton_1,a6
2314[U]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1,55794,synton_1,a6
2315CC(=O)Nc1cc(F)ccc1[U],125208,synton_1,a6
2316Oc1cccc([U])c1,33167,synton_1,a6
2317CCCOc1c(Br)cc(Cl)cc1[U],382528,synton_1,a6
2318Fc1cccc([U])c1OCc1ccccc1,384462,synton_1,a6
2319O=C(NC1CC1)c1cc([U])ccc1Cl,104176,synton_1,a6
2320COC(=O)[C@H](Cc1ccc([U])cc1)NC(=O)OC(C)(C)C,28399,synton_1,a6
2321Cn1ccc2cc([U])ccc21,50468,synton_1,a6
2322COC(=O)c1cccc([U])c1,430555,synton_1,a6
2323COc1ccc([N+](=O)[O-])c([U])c1F,441330,synton_1,a6
2324Cn1ccc2c([U])cccc21,185810,synton_1,a6
2325Cc1cc(Cl)cc(C)c1[U],13564,synton_1,a6
2326COC(=O)Cc1cccc([U])c1,3968,synton_1,a6
2327CNc1ncc([U])cn1,100248,synton_1,a6
2328[U]c1ccc(N2CCOCC2)nc1,65924,synton_1,a6
2329CC(=O)Nc1cccc([U])c1,8329,synton_1,a6
2330Fc1ncccc1[U],421463,synton_1,a6
2331[U]c1ccc(-c2ccccc2)s1,4317,synton_1,a6
2332Fc1cc(Cl)ccc1[U],62585,synton_1,a6
2333CCCCCCCCC1(CCCCCCCC)c2cc([U])ccc2-c2ccc(B(O)O)cc21,19120,synton_1,a6
2334COc1cc([U])c(F)cc1Cl,14368,synton_1,a6
2335[U]c1cncnc1,12565,synton_1,a6
2336[U]c1ccc2nccnc2c1,67837,synton_1,a6
2337Cc1ccc([U])s1,30268,synton_1,a6
2338N#Cc1ccc([U])cc1OCc1ccccc1,147107,synton_1,a6
2339COCCOCCOc1ccc([U])cc1,34073,synton_1,a6
2340CC(C)(C)OC(=O)NCc1ccc([U])s1,28418,synton_1,a6
2341Fc1cccc(COc2cccc([U])c2)c1,111028,synton_1,a6
2342O=Cc1cccc([U])c1,67379,synton_1,a6
2343CC(=O)OCCCc1ccc([U])cc1,452145,synton_1,a6
2344Clc1cc([U])ccc1OCC1CC1,62349,synton_1,a6
2345CCCOc1c(C)cc([U])cc1B(O)O,385106,synton_1,a6
2346Cc1nc2cc([U])ccc2s1,114038,synton_1,a6
2347COCOc1cccc([U])c1,388629,synton_1,a6
2348CN1CC=C([U])CC1,49570,synton_1,a6
2349Cc1ccc2ccc([U])c(F)c2n1,387332,synton_1,a6
2350FC(F)(F)c1cc([U])ccn1,40231,synton_1,a6
2351N#Cc1cnccc1[U],308678,synton_1,a6
2352COc1cc([U])ccc1N,25762,synton_1,a6
2353Cc1ccc(S(=O)(=O)N(C)C)c([U])c1,416236,synton_1,a6
2354Clc1cc([U])cc(N2CCCCC2)c1,25118,synton_1,a6
2355O=C(c1ccc([U])cn1)N1CCOCC1,24558,synton_1,a6
2356Cc1ccc([U])cc1N,40703,synton_1,a6
2357CCS(=O)(=O)c1ccc([U])cc1,105209,synton_1,a6
2358COC(=O)c1cc([U])cc(C(=O)OC)c1,20415,synton_1,a6
2359CCCOc1cc([U])ccc1OC,384952,synton_1,a6
2360CN(C)c1ncc([U])cn1,23271,synton_1,a6
2361CC=C[U],385603,synton_1,a6
2362CS(=O)(=O)Oc1ccc([U])cc1,387331,synton_1,a6
2363O=[N+]([O-])c1c(F)cc(F)cc1[U],44173,synton_1,a6
2364CCCCn1cc([U])cn1,103452,synton_1,a6
2365Cc1cc([U])cc(C)c1OCc1ccccc1Cl,101410,synton_1,a6
2366[U]c1c[nH]c2ncccc12,113813,synton_1,a6
2367CC1(C)CCC(C)(C)c2cc([U])ccc21,382246,synton_1,a6
2368Cc1cc(Cl)c(Cl)cc1[U],380791,synton_1,a6
2369Nc1cccc([U])c1,63816,synton_1,a6
2370COc1ccc([U])c(C=O)c1,67210,synton_1,a6
2371COC(=O)c1ccc(OC)c([U])c1,63779,synton_1,a6
2372CCCCOc1cc(F)c(C)cc1[U],390204,synton_1,a6
2373Brc1ccc([U])cc1Br,113480,synton_1,a6
2374Cc1cc([U])ccc1S(=O)(=O)N1CCCC1,98620,synton_1,a6
2375CCn1cc([U])c(C(F)(F)F)n1,38066,synton_1,a6
2376O=C(Nc1ccccc1Cl)c1cc([U])ccc1F,455834,synton_1,a6
2377COc1ccc([U])cn1,43743,synton_1,a6
2378COC(=O)c1ccc([U])cc1C,22542,synton_1,a6
2379Cc1ccc2ccccc2c1[U],106430,synton_1,a6
2380Brc1cc([U])cc(OCC2CC2)c1,101495,synton_1,a6
2381Brc1ccc([U])cn1,3065,synton_1,a6
2382COCCc1ccc(OCc2ccc([U])cc2)cc1,30880,synton_1,a6
2383COCCOc1c(Cl)ccc([U])c1F,106243,synton_1,a6
2384O=Cc1ccc([U])c(Cl)c1,101585,synton_1,a6
2385CCCCCCCCC1(CCCCCCCC)c2cc([U])ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21,11290,synton_1,a6
2386N#Cc1ccc([U])cc1Cl,42452,synton_1,a6
2387Nc1ccc([U])cc1[N+](=O)[O-],43823,synton_1,a6
2388CCCC[Sn](C=C[U])(CCCC)CCCC,420854,synton_1,a6
2389CC(=O)c1cccc([U])c1,47360,synton_1,a6
2390NS(=O)(=O)c1ccc([U])cc1,1143,synton_1,a6
2391Cc1cc([U])cc(C)c1OCc1cccc(Cl)c1,106191,synton_1,a6
2392CCCC/N=C/c1ccc([U])cc1,436411,synton_1,a6
2393O=C1c2ccccc2C(=O)N1Cc1cccc([U])c1,56245,synton_1,a6
2394[U]c1ccc2[nH]c3ccccc3c2c1,337842,synton_1,a6
2395Cn1ncc2c([U])cccc21,39331,synton_1,a6
2396COc1ccc(OC)c([U])c1,43828,synton_1,a6
2397N#Cc1cc([U])ccc1OC1CCOCC1,25660,synton_1,a6
2398Cc1ccc([U])cc1[N+](=O)[O-],36681,synton_1,a6
2399Oc1cc([U])ccc1F,15507,synton_1,a6
2400CCCCOc1ccc([U])c(OCCCC)c1,47671,synton_1,a6
2401CCOC(=O)C1CCCN(C(=O)c2cccc([U])c2)C1,35053,synton_1,a6
2402COC(=O)c1cccc(-c2cc([U])ccc2OC)c1,451366,synton_1,a6
2403[U]c1cccc(C2CC2)c1,94906,synton_1,a6
2404COC(=O)c1c(F)ccc([U])c1F,111159,synton_1,a6
2405CC(=O)c1cccc([U])c1F,124185,synton_1,a6
2406Cn1ncc2ccc([U])cc21,37999,synton_1,a6
2407Cc1cc(F)c(C=O)cc1[U],94937,synton_1,a6
2408N#Cc1ccccc1[U],42961,synton_1,a6
2409FC(F)(F)c1ccc(-c2ccc([U])cc2)cc1,382402,synton_1,a6
2410Fc1ncc(Br)cc1[U],62514,synton_1,a6
2411Cc1csc([U])c1,9023,synton_1,a6
2412FC(F)(F)c1cc(C=C[U])cc(C(F)(F)F)c1,382912,synton_1,a6
2413Fc1cc(F)cc([U])c1,44627,synton_1,a6
2414[U]c1cccnc1OC1CCCCC1,380033,synton_1,a6
2415COC(=O)c1c(F)cc([U])cc1F,95686,synton_1,a6
2416[U]c1ccc(-c2ccc3ccccc3c2)cc1,19972,synton_1,a6
2417CC(C)(C)OC(=O)N1CCN(Cc2cccc([U])c2)CC1,417133,synton_1,a6
2418CCCCCCCCCCCCCCCCCC(=O)Nc1ccc([U])cc1,451452,synton_1,a6
2419O=[N+]([O-])c1ccc([U])c2ccccc12,7316,synton_1,a6
2420[U]c1ccc(-c2ccncc2)cc1,41490,synton_1,a6
2421[U]c1ccc(/C=N/Cc2ccccc2)cc1,451130,synton_1,a6
2422CC(=O)Nc1ccc([U])cc1F,125275,synton_1,a6
2423CC(C)(C)NC(=O)c1ccc([U])cc1,22469,synton_1,a6
2424O=S1(=O)CCCN1c1ccc([U])cc1,42072,synton_1,a6
2425Cn1ncc2c([U])cccc21,31311,synton_1,a6
2426COC(=O)COc1ccc([U])cc1,453236,synton_1,a6
2427CC(C)(C)OC(=O)N1CC=C([U])CC1,57692,synton_1,a6
2428CCN([U])C1CCCN(C(=O)OC(C)(C)C)C1,174250,synton_1,a1
2429O=C([U])c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1,283458,synton_2,a1
2430COc1ccc2nc(C)c(C(=O)[U])cc2c1,227555,synton_2,a1
2431NC(=O)c1ccc(SCC(=O)[U])c([N+](=O)[O-])c1,261729,synton_2,a1
2432O=C([U])c1cnc(N2CCOCC2)nc1,285763,synton_2,a1
2433O=C([U])c1cc(Br)ccc1OCc1ccccc1F,405721,synton_2,a1
2434CCCOc1ccc(-c2cc(C(=O)[U])c3cc(Cl)ccc3n2)cc1,397353,synton_2,a1
2435NC(=O)COc1ccc(C(=O)[U])cc1,262176,synton_2,a1
2436O=C([U])c1cnc(C(F)(F)F)cn1,8820,synton_2,a1
2437O=C([U])c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2,454164,synton_2,a1
2438CN1C[C@H](O)C[C@H]1C(=O)[U],12620,synton_2,a1
2439COc1ccc2c(Cl)c(C(=O)[U])sc2c1,109318,synton_2,a1
2440CCOc1ccc(-c2cc(C(=O)[U])c3cccc(C)c3n2)cc1,395259,synton_2,a1
2441CCC(C(=O)[U])c1ccc([N+](=O)[O-])cc1,59742,synton_2,a1
2442O=C([U])C1(c2ccc(Cl)cc2)CCCC1,112156,synton_2,a1
2443CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)[U],29627,synton_2,a1
2444Cc1cc(OC(F)(F)F)ccc1/C=C/C(=O)[U],316270,synton_2,a1
2445O=C([U])c1cncc(-c2cccs2)c1,316934,synton_2,a1
2446CC1=NN(c2ccc(C(=O)[U])cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1,308749,synton_2,a1
2447Cc1ccc(/C=C/C(=O)[U])cc1Cl,158761,synton_2,a1
2448C[C@@H](Oc1ccccc1)C(=O)[U],50278,synton_2,a1
2449O=C([U])C12CCN(CC1)CC2,24659,synton_2,a1
2450CC(C)(C)c1ccc(C(=O)NCCC(=O)[U])cc1,127347,synton_2,a1
2451COc1cccc(C)c1C(=O)[U],31827,synton_2,a1
2452O=C([U])c1cncs1,300017,synton_2,a1
2453O=C([U])c1ccnc(N2CCCCC2)n1,285657,synton_2,a1
2454O=C([U])c1c[nH]cnc1=O,23608,synton_2,a1
2455O=C([U])c1cc(-c2ccccc2)n[nH]1,438699,synton_2,a1
2456O=C([U])C1CCC(CO)CC1,55797,synton_2,a1
2457CS(=O)(=O)c1cc(C(=O)[U])ccn1,49808,synton_2,a1
2458CN(CC(=O)[U])CC1CCCCN1C(=O)OC(C)(C)C,23873,synton_2,a1
2459COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)[U],316680,synton_2,a1
2460CCC(O)(C(=O)[U])c1ccccc1,166737,synton_2,a1
2461O=C([U])c1cc(Cl)sc1Cl,11464,synton_2,a1
2462COc1cc(NC(=O)c2ccco2)c(C(=O)[U])cc1OC,200494,synton_2,a1
2463Cc1nc(C)c(CC(=O)[U])s1,217677,synton_2,a1
2464O=C([U])c1ccc(C(=O)NC2CC2)cc1,283630,synton_2,a1
2465O=C([U])c1cccc(-c2ccccc2Cl)c1,284856,synton_2,a1
2466CC(C)(C)OC(=O)N1CCCC(Cc2cccnc2)(C(=O)[U])C1,313278,synton_2,a1
2467O=C(Nc1sccc1C(=O)[U])c1cccs1,285741,synton_2,a1
2468O=C([U])[C@@H]1C[C@H]1c1ccc(F)c(F)c1,289994,synton_2,a1
2469COc1cccc(C2(C(=O)[U])CCC2)c1,204562,synton_2,a1
2470Cc1cccc(C)c1OCc1nnc(SCC(=O)[U])n1-c1ccccc1,161782,synton_2,a1
2471CC[C@H]1CC[C@H](C(=O)[U])CC1,52770,synton_2,a1
2472CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[U],53106,synton_2,a1
2473O=C([U])c1ncc(Br)cc1[N+](=O)[O-],34991,synton_2,a1
2474O=C([U])c1cccnc1Oc1cccc(C(F)(F)F)c1,379012,synton_2,a1
2475Cc1ccc(C(=O)[U])c(-c2ccccc2)c1,453371,synton_2,a1
2476Cc1ncc(C(=O)[U])cn1,35090,synton_2,a1
2477CC(F)(F)C(=O)[U],40822,synton_2,a1
2478Cc1nc2c(F)cccc2cc1C(=O)[U],219459,synton_2,a1
2479Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)[U],152486,synton_2,a1
2480CC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)[U],4589,synton_2,a1
2481COc1cc(C=CC(=O)[U])cc(OC)c1OC,64527,synton_2,a1
2482O=C([U])c1cc2cc[nH]c2cc1Cl,40890,synton_2,a1
2483O=C([U])C1CC1F,19624,synton_2,a1
2484O=C([U])c1cc(F)ccc1N1CCCC1,43305,synton_2,a1
2485O=C([U])CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1,289398,synton_2,a1
2486O=C([U])c1cc2cnccc2nc1C(F)(F)F,332875,synton_2,a1
2487Cc1c(Cl)cccc1C(=O)[U],19377,synton_2,a1
2488Cc1nnc(SCC(=O)[U])n1Cc1ccccc1,152772,synton_2,a1
2489O=C([U])c1cccc(OCc2c(Cl)cccc2Cl)c1,405731,synton_2,a1
2490Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[U],151859,synton_2,a1
2491O=C([U])c1n[nH]c2cccc(Br)c12,97392,synton_2,a1
2492CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)[U])cc1,125262,synton_2,a1
2493CC(C)(OC(=O)c1ccccc1)C(=O)[U],60349,synton_2,a1
2494O=C([U])CNC(=O)c1cccc(OC(F)F)c1,288947,synton_2,a1
2495O=C([U])C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1,279502,synton_2,a1
2496O=C([U])C1CCC2(CC1)OCCO2,63736,synton_2,a1
2497Cc1nccn1C(C)CC(=O)[U],398139,synton_2,a1
2498O=C([U])C(CO)c1ccccc1,22439,synton_2,a1
2499O=C([U])c1ccccc1,59641,synton_2,a1
2500O=C([U])CCCc1nc(-c2ccc(F)cc2)no1,288023,synton_2,a1
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