E_coli activity prediction model/subword_units_map_drug_chembl_1500.csv

,level_0,index,frequency
0,0,7,0
1,1,0,0
2,2,P,0
3,3,[,0
4,4,G,0
5,5,a,0
6,6,5,0
7,7,A,0
8,8,4,0
9,9,u,0
10,10,V,0
11,11,:,0
12,12,l,0
13,13,.,0
14,14,r,0
15,15,\,0
16,16,R,0
17,17,#,0
18,18,H,0
19,19,N,0
20,20,@,0
21,21,Z,0
22,22,S,0
23,23,b,0
24,24,d,0
25,25,],0
26,26,c,0
27,27,o,0
28,28,+,0
29,29,1,0
30,30,n,0
31,31,X,0
32,32,(,0
33,33,6,0
34,34,B,0
35,35,-,0
36,36,%,0
37,37,),0
38,38,2,0
39,39,p,0
40,40,T,0
41,41,W,0
42,42,=,0
43,43,C,0
44,44,s,0
45,45,I,0
46,46,i,0
47,47,L,0
48,48,K,0
49,49,F,0
50,50,9,0
51,51,8,0
52,52,3,0
53,53,/,0
54,54,O,0
55,55,e,0
56,56,g,0
57,57,M,0
58,58,t,0
59,59,cc,10073898
60,60,CC,5169755
61,61,O),4100218
62,62,(=,3446289
63,63,(=O),3146255
64,64,ccc,2546300
65,65,(C,2451909
66,66,C(=O),2105699
67,67,[C,1976339
68,68,[C@,1970269
69,69,H],1931599
70,70,c1,47598
71,71,)c,1385253
72,72,(C),1096944
73,73,c2,18881
74,74,ccccc,973612
75,75,[C@@,962492
76,76,[C@H],889422
77,77,c3,14918
78,78,[C@@H],849974
79,79,ccc(,829278
80,80,(CC,726531
81,81,NC(=O),689944
82,82,cc(,575416
83,83,C(=O)N,9123
84,84,c(,551321
85,85,=C,6152
86,86,)C,3658
87,87,CCCC,516139
88,88,)cc,502890
89,89,OC,39440
90,90,c4,9344
91,91,CN,427734
92,92,CO,417754
93,93,F),386073
94,94,CCN,358711
95,95,c1ccc(,336200
96,96,(O),321231
97,97,(F),316310
98,98,)c3,11699
99,99,2),302502
100,100,(=O)N,291069
101,101,cn,289545
102,102,)c2,12969
103,103,CCC,278208
104,104,(Cl,271210
105,105,\C,2639
106,106,1),258343
107,107,(C)C,26354
108,108,S(=O),252489
109,109,3),240189
110,110,N),225670
111,111,)c4,7553
112,112,[n,218674
113,113,c1cc,208444
114,114,c3ccccc,203143
115,115,OC(=O),200281
116,116,nc(,199925
117,117,NC,186348
118,118,[nH],186289
119,119,OCC,3143
120,120,c5,3340
121,121,S(=O)(=O),172751
122,122,2C,5331
123,123,cc1,7262
124,124,=O),166860
125,125,ccc(cc,164961
126,126,c2ccccc,164808
127,127,c1ccc,159724
128,128,+],156091
129,129,)c(,155434
130,130,CCN(CC,151998
131,131,nn,151888
132,132,[C@H](,147196
133,133,[C@H](C,146487
134,134,(F)(F),145991
135,135,1C,144287
136,136,2)c3,144010
137,137,ccccc4,44549
138,138,)C(=O)N,9102
139,139,[C@@H](,136148
140,140,Cl,6198
141,141,cccc,135332
142,142,\C=C,131624
143,143,c1ccccc,127661
144,144,[C@@H](C,124595
145,145,NC(=O)C,2054
146,146,CC(C),120489
147,147,[C@],118355
148,148,[N,118018
149,149,)C(=O),117203
150,150,(=C,115589
151,151,(Cl)cc,114373
152,152,3C,113972
153,153,[O,113490
154,154,[O-,112893
155,155,[C@@],112518
156,156,[C@H](CC,111498
157,157,=C(,110231
158,158,2CC,110120
159,159,3)c4,109073
160,160,cccc(,106565
161,161,F)cc,103981
162,162,c1cc(,103420
163,163,1CC,102151
164,164,[C@@H](CC,101201
165,165,c2ccc,100308
166,166,[N+],99418
167,167,CCCCC,97694
168,168,n1,38386
169,169,3CC,95296
170,170,)c5,2590
171,171,n2,28395
172,172,C(=O)C,92347
173,173,c1ccc(cc1,92326
174,174,c(C,92055
175,175,c4ccccc4,19706
176,176,Br,6033
177,177,)cc1,33303
178,178,c2ccc(,89679
179,179,[C@H](O),86603
180,180,=O,85944
181,181,c3ccc,85518
182,182,OC(=O)C,4537
183,183,)N,84610
184,184,CC(=O)N,1746
185,185,cc1),83914
186,186,[C@@H](O),83338
187,187,nc2,4109
188,188,\C=C\,82059
189,189,=N,80503
190,190,[O-],33664
191,191,ncc,79101
192,192,CC1,5493
193,193,[N+](=O),77909
194,194,c3ccc(,76622
195,195,S(=O)(=O)N,2144
196,196,CC(=O),75636
197,197,[C@H]1,75514
198,198,c3ccccc3,25820
199,199,N(C,73677
200,200,c1ccc(cc1),73479
201,201,c1ccccc1,4934
202,202,[C@@H]1,73040
203,203,c1cccc(,72968
204,204,)C(F)(F),72925
205,205,c1ccc2,71900
206,206,NC(=O)[C@H](CC,70160
207,207,N2,70073
208,208,)c1,8721
209,209,4),69447
210,210,ncn,67171
211,211,4CC,66672
212,212,nc3,4782
213,213,c(C),61949
214,214,c6,61639
215,215,C(=O)NC,60845
216,216,(C)CC,60733
217,217,ccccc5,21237
218,218,Cc1,59561
219,219,)C2,59192
220,220,1)c2,59178
221,221,N=C,58781
222,222,SC,58610
223,223,CN1,58601
224,224,c2ccccc2,15584
225,225,O)cc,57160
226,226,ccccc3,55895
227,227,[C@H](C),55868
228,228,c[nH],55788
229,229,(=N,55690
230,230,CCCCCCCC,55530
231,231,n3,15895
232,232,4C,54417
233,233,[C@H]2,54382
234,234,CN(C,54264
235,235,ccc1,54046
236,236,(=N),53949
237,237,(C)C),53319
238,238,OC),53049
239,239,c2ccc(cc,52923
240,240,CCO,52553
241,241,[C@@H](C),51599
242,242,NC(=O)[C@H](C,51206
243,243,cc(C,51006
244,244,%1,50874
245,245,1=O),50487
246,246,cc2,50470
247,247,c1ccc(C,50469
248,248,=C(C,49720
249,249,NC(=O)N,49568
250,250,C(=O)O),48614
251,251,(Cl),48527
252,252,ccc3,48514
253,253,(Cl)c,48318
254,254,Cl.,48119
255,255,c2cc(,47615
256,256,(C)(C),47214
257,257,\C(=C,46863
258,258,2)C,46639
259,259,[C@@H]2,46295
260,260,CCN(C,46182
261,261,N(CC,46069
262,262,nc1,3565
263,263,CNC,45538
264,264,c4ccc,44714
265,265,c2ccccc2),44351
266,266,ccc2,43633
267,267,C(=O)O,17568
268,268,3)C,43578
269,269,[C@H]3,42890
270,270,2=O),42213
271,271,COc1ccc(,41999
272,272,N1,1938
273,273,CCC(CC,41124
274,274,c4ccc(,41006
275,275,COC(=O),40887
276,276,(=O)O),40623
277,277,CN(CC,40555
278,278,c3ccc(cc,40429
279,279,P(=O),40296
280,280,c3ccccc3),40162
281,281,cc3,39820
282,282,=CC,39704
283,283,N3,39594
284,284,)CC,39397
285,285,c(O),39218
286,286,NS(=O)(=O),39178
287,287,COc1cc(,38745
288,288,c5ccccc5,8778
289,289,COc1cc,37747
290,290,c1cccc(c1,37704
291,291,Nc2,37594
292,292,)c(OC,37470
293,293,5CC,37462
294,294,4)c5,37367
295,295,c1ccccc1),36695
296,296,c2ccc3,36429
297,297,1=O,36428
298,298,cs,35708
299,299,c1ccc(cc1)c2,35632
300,300,oc(,35483
301,301,(=S,35081
302,302,[C@@H]3,34820
303,303,C(=O)N[C@@H](CC,34687
304,304,c3cc(,34516
305,305,nc4,3583
306,306,#N,27477
307,307,c1n,33717
308,308,(O)C,33590
309,309,c2c1,15825
310,310,NCC,33298
311,311,c3cc,33120
312,312,NC(=O)[C@@H](,32908
313,313,)C(F)(F)F,6144
314,314,[N+](=O)[O-],26840
315,315,/C,32421
316,316,n4,10357
317,317,[n+],32116
318,318,CN(C),31941
319,319,ccccc2,1525
320,320,(C)(C)C,15633
321,321,[C@]1,30832
322,322,2)C(=O)N,30482
323,323,CC(C)(C),30372
324,324,nc,29821
325,325,ccc4,29682
326,326,O=C(,29357
327,327,2)C(=O),29210
328,328,c2cccc(,29192
329,329,OCO,29111
330,330,Cc1cc,29098
331,331,(=N)N),28524
332,332,F)c,28424
333,333,5),28294
334,334,ccc(Cl)cc,27838
335,335,O[C@@H],27764
336,336,N=C(,27277
337,337,4)C,27030
338,338,c1nc(,27021
339,339,C(=O)N[C@@H](C,26704
340,340,c2n,26683
341,341,)C(=O)N[C@@H](CC,26629
342,342,O[C@H](C,26520
343,343,c(N,26459
344,344,CC(C)C,26417
345,345,occc,26401
346,346,3=O),26387
347,347,#N),26367
348,348,2)c3ccccc,26358
349,349,(C)cc,26234
350,350,\C(=N,26106
351,351,C(F)(F),25971
352,352,)c6,25826
353,353,c2cccc,25685
354,354,\N=C,25675
355,355,CN2,25636
356,356,CCOC(=O),25344
357,357,c3ccccc2,25042
358,358,c3cccc,25033
359,359,c2cc,25015
360,360,CNC(=N)N),24972
361,361,O[C@H],24934
362,362,O=C,24881
363,363,)c(C,24623
364,364,c3cccc(,24515
365,365,P(=O)(O),24428
366,366,ccc(F)cc,24336
367,367,(N,24063
368,368,c3c2,8335
369,369,Br)cc,23877
370,370,c1cn,23834
371,371,)\,23331
372,372,COc1ccc(cc1,22848
373,373,O)C,22751
374,374,[C@@]2,22727
375,375,[C@H](NC(=O),22531
376,376,c7,22427
377,377,5C,22426
378,378,[C@@H]1CC,22092
379,379,c3ccc4,21928
380,380,-],21874
381,381,c2cn,21868
382,382,OC)cc,21858
383,383,2CCN(CC,21836
384,384,=N\,21682
385,385,1=C,21606
386,386,nc(N,21581
387,387,F)c(,21378
388,388,S(=O)(=O)C,3797
389,389,c3ccc(Cl)cc,21012
390,390,CCCCCC,20860
391,391,(=O)NC,20826
392,392,c4cc,20791
393,393,F)C,20785
394,394,Cn1,20578
395,395,N(C),20513
396,396,N4,20423
397,397,3)C(=O),20419
398,398,[C@@]3,20410
399,399,ccccc6,6823
400,400,(CCC,20283
401,401,1)C(=O),20143
402,402,[C@@]1,20139
403,403,[C@]2,20095
404,404,[C@]3,20023
405,405,c2c(,19962
406,406,\N=C\,19935
407,407,C(=O)N(C,19800
408,408,(=S)N,19755
409,409,CCN1,19752
410,410,c3n,19512
411,411,COc1ccc2,19454
412,412,=CC(=O),19438
413,413,c3c(,19252
414,414,N2CCN(CC,19214
415,415,(O,19210
416,416,Cc1ccc(,19119
417,417,c2ccc(Cl)cc,18981
418,418,)C(=O)O,2599
419,419,3)c4ccccc4,14836
420,420,OC)c(OC,18859
421,421,NC(=O)CC,18728
422,422,OC1,18663
423,423,c2ccc(cc2),18492
424,424,#C,1974
425,425,3CCOCC,18398
426,426,OC)c1,18374
427,427,[C@H]4,18337
428,428,COc1ccc(cc1),18271
429,429,c4ccc(cc,18227
430,430,nc(C,18215
431,431,[O-][N+](=O),18213
432,432,\C(=C\,17980
433,433,)cc2,14658
434,434,1)C,17768
435,435,[C@@H]4,17581
436,436,c4ccccc3,17554
437,437,c1c(,17498
438,438,OC(=O)C(F)(F),17340
439,439,ccccc1,17338
440,440,)NC(=O),17247
441,441,N)C,17027
442,442,3CCCCC,16980
443,443,N2C,16972
444,444,OC(C,16962
445,445,c1C,5575
446,446,(=O)C,16891
447,447,c4cc(,16858
448,448,SCC,16847
449,449,3)C(=O)N,1537
450,450,FC(F)(F),16771
451,451,c3cn,16695
452,452,2CCC,16694
453,453,\C=N\,16659
454,454,c2ccccc1,16617
455,455,COc1ccccc1,16612
456,456,2=O,16599
457,457,Cc1cc(,16492
458,458,c3ccc(F)cc,16355
459,459,[C@@H](O,16330
460,460,\C(=C/,16318
461,461,)C(F)(F)F),16284
462,462,[C@@H]1C,16225
463,463,2=C,16181
464,464,F)c3,4002
465,465,CCCN,16069
466,466,-].,15904
467,467,COc1ccc(C,15831
468,468,c3ccccc3C,15784
469,469,c12,15672
470,470,5)C,15640
471,471,c2cccc(c2,15569
472,472,Br),15559
473,473,(C)C)C(=O)N,2275
474,474,OC(=O)C),15380
475,475,(C(=O)N,15355
476,476,n(C,15271
477,477,c(CC,15245
478,478,4CCOCC,15242
479,479,=C(N),15224
480,480,\C=C/,15222
481,481,c4cccc,15130
482,482,[C@H]1C,15109
483,483,)C(=O)C,1787
484,484,CC(,15050
485,485,3CCC,15010
486,486,OCCO,14956
487,487,1)C(=O)N,14850
488,488,+].,14797
489,489,SCC(=O)N,14725
490,490,3CCN(CC,14714
491,491,c1),14692
492,492,cc(Cl),14641
493,493,n2),14618
494,494,C(=O)N1,14569
495,495,[C@@H]2C,14541
496,496,[C@H](O)C,14532
497,497,N2CC,14520
498,498,3CCCC,14466
499,499,OCC(=O)N,14462
500,500,c1cc2,14441
501,501,%10,14353
502,502,c2ccccc2C,14338
503,503,CCNCC,14277
504,504,n2)c3,14270
505,505,O)[C@@H](O),14247
506,506,.OC(=O)C(F)(F),14140
507,507,O=C(N,14137
508,508,COC(=O)C,14084
509,509,CCOC(=O)C,14072
510,510,\C=C(,14033
511,511,CCN(CC1)c2,13987
512,512,)C(=O)NC,13876
513,513,O=C1,13872
514,514,2)c3ccccc3,9016
515,515,COc1cc2,13798
516,516,NC1,13733
517,517,[C@H]1CC,13718
518,518,2CCCC,13677
519,519,[C@]4,13669
520,520,n1)c2,13596
521,521,ccc5,13576
522,522,c4ccccc4),13553
523,523,[C@H]2C,13535
524,524,(Cl)c3,3325
525,525,[C@@H]2CC,13524
526,526,[C@@]4,13474
527,527,%2,13464
528,528,onc(,13395
529,529,cc(C),13358
530,530,n[nH],13323
531,531,c3ccc(cc3),13319
532,532,CN1C,13305
533,533,NC(=O)OC,13296
534,534,c2ccc(F)cc,13212
535,535,c4cccc(,13208
536,536,NC(=O)c2,12983
537,537,)c3ccccc,12880
538,538,(CC(=O)N,12870
539,539,3)cc1,2454
540,540,F)c2,3273
541,541,c6ccccc6,2905
542,542,\C(=N/,12813
543,543,n5,5435
544,544,[C@@H]3CC,12765
545,545,ccncc,12756
546,546,[Na,12693
547,547,2CCCCC,12690
548,548,(Cl)c(,12668
549,549,3=C,12643
550,550,2)c4,12628
551,551,cc4,12611
552,552,[Na+].,12582
553,553,c(N),12569
554,554,C(=O)OC,1678
555,555,NC(=O)[C@H](CC(C)C),12483
556,556,c4c3,6562
557,557,c2C,12459
558,558,O)c(,12454
559,559,N(C)C,1721
560,560,NC(=N),12275
561,561,(=S),12258
562,562,c4ccc(Cl)cc,12234
563,563,nc5,1606
564,564,2(CC,12216
565,565,ccc(C,12206
566,566,[C@@H](CO),12076
567,567,n(,12049
568,568,cc(OC)c1,12002
569,569,4CCCCC,11994
570,570,OP(=O)(O),11977
571,571,c1cccc(c1)c2,11952
572,572,CCNC,11948
573,573,O=C(C,11931
574,574,nc(C),11910
575,575,[S,11743
576,576,N1C,11727
577,577,CC1(C),11666
578,578,c1ncn,11642
579,579,2)cc1,1944
580,580,ccc(O)cc,11588
581,581,)c(O),11585
582,582,C(=O)NCC,11553
583,583,[C@@H](O)C,11545
584,584,Cc1ccc(cc1),11438
585,585,)S(=O)(=O)N,11427
586,586,c4ccc(F)cc,11338
587,587,[C@@H]3C,11259
588,588,cc(c1,11223
589,589,c2c[nH],11223
590,590,6CC,11170
591,591,(C)C)C,1758
592,592,=C(N)N),11148
593,593,n1),11100
594,594,O[C@H](,11092
595,595,c3cccc(c3,11078
596,596,N(,11072
597,597,([O-],11049
598,598,CC[C@H](C),11035
599,599,CCC(C,11028
600,600,c(Cl)cc,11024
601,601,3(CC,11004
602,602,.OC(=O)C(F)(F)F,2466
603,603,c2nc(,11002
604,604,c1ccccc1C,10996
605,605,cc(O),10976
606,606,NC(=O)NC,10974
607,607,c1nc2,10963
608,608,)c2c1,10962
609,609,[nH]c(,10879
610,610,(C)(C,10839
611,611,ncc(,10823
612,612,CC(C,10756
613,613,)cc3,8962
614,614,c2cc1,10726
615,615,CS,10718
616,616,c1c[nH],10687
617,617,)S(=O)(=O),10656
618,618,4CCCC,10607
619,619,c1nn,10580
620,620,[C@@]5,10549
621,621,OCCN,10476
622,622,CCC1,10444
623,623,2=N,10421
624,624,CC(=O)NC,10415
625,625,c1cccc2,10383
626,626,4)C(=O),10383
627,627,n3),10342
628,628,c4ccc5,10328
629,629,2)N,10322
630,630,\C(=N\,10319
631,631,)c(C),10308
632,632,F)c4,2897
633,633,c8,10237
634,634,6C,10204
635,635,5)c6,10152
636,636,CN1C(=O),10104
637,637,[C@H]3CC,10098
638,638,CN=C(N)N),10083
639,639,4=O),10047
640,640,s1,10026
641,641,CCNC(=O),10019
642,642,c1ccc(Cl)cc,10000
643,643,2/,9992
644,644,3=O,9957
645,645,4)cc1,9952
646,646,sc(,9946
647,647,cccs,9935
648,648,\N=C(,9916
649,649,NC(=O)[C@H](CCCNC(=N)N),9901
650,650,6),9853
651,651,O[C@H](CO)[C@@H](O),9843
652,652,c2ccc(C,9825
653,653,(OC,9795
654,654,[N+](=O)[O-]),9774
655,655,NC1=O),9767
656,656,NC(=O)[C@H](CCCCN,9697
657,657,4)N,9637
658,658,=NC,9620
659,659,CCn1,9617
660,660,nc(N),9602
661,661,csc(,9588
662,662,[C@H]3C,9548
663,663,2Cl,2759
664,664,[C@H](N),9508
665,665,c2cccc3,9493
666,666,C1,9481
667,667,CN(C)C,9466
668,668,CN(,9444
669,669,[C@@H](C)O),9440
670,670,c4ccccc4C,9436
671,671,n2C,2066
672,672,n2cn,9402
673,673,Cl),9387
674,674,CN(C)CC,9360
675,675,2)c3ccc(,9356
676,676,2)S(=O)(=O),9352
677,677,OC)c2,9302
678,678,(Cl)c2,3003
679,679,NC(=O)[C@H](CO),9254
680,680,CNC(=O),9199
681,681,c5ccccc4,9176
682,682,oc(C,9160
683,683,c1ccc(cc1)C,9147
684,684,OC(=O)N,9110
685,685,s2,9075
686,686,CN3,9052
687,687,c4cn,9027
688,688,(C)(C)C),9020
689,689,Clc1ccc(,9009
690,690,CCN(C)CC,8958
691,691,c23,8917
692,692,c2ccc(cc2,8845
693,693,4)CC,8820
694,694,)C(=O)N[C@@H](C,8814
695,695,ncccc,8792
696,696,Nc1nc(,8792
697,697,3)CC,8790
698,698,[C@H]5,8783
699,699,OC)c(,8732
700,700,OCCCC,8731
701,701,)c2ccccc,8721
702,702,Oc1ccc(,8718
703,703,COc1ccc(cc1)c2,8700
704,704,c4c(,8685
705,705,)C2=O),8667
706,706,\C=C(/C,8661
707,707,N3CCN(CC,8649
708,708,c1ccc(cc1)C2,8614
709,709,)c3ccccc3,4086
710,710,(=CC,8571
711,711,)c7,8566
712,712,c2ccc(O)cc,8531
713,713,(C)C(=O),8523
714,714,c%1,8517
715,715,3)N,8511
716,716,(F)(,8511
717,717,nn2,4458
718,718,[C@](C),8479
719,719,c2cc3,8470
720,720,OS(=O)(=O),8457
721,721,5CCOCC,8377
722,722,[C@@H]4CC,8358
723,723,C(=O)N),8348
724,724,NC(=S)N,8339
725,725,c5ccc,8333
726,726,(O)(C,8332
727,727,NC(=O)CS,8312
728,728,nnc(,8278
729,729,c3c[nH],8278
730,730,4)C(=O)N,8244
731,731,OC(F)(F),8238
732,732,c5ccc(,8211
733,733,Fc1ccc(,8181
734,734,(C)c2,8170
735,735,3=N,8161
736,736,NC(=O)[C@H](C),8141
737,737,)\C,8118
738,738,(Cl)c4,2727
739,739,c(cn,8077
740,740,C[C@@H]1,8073
741,741,OC[C@H]1,8053
742,742,[C@@H]5CC,7993
743,743,(=NC,7961
744,744,O)c2,7933
745,745,C(=O)N(CC,7919
746,746,CC(=O)O,3868
747,747,CN1CC,7865
748,748,s3,7864
749,749,4CCC,7862
750,750,S),7856
751,751,1)c3,7852
752,752,CCC(CC1),7847
753,753,c3ccc(O)cc,7823
754,754,c3ccccc23),7803
755,755,c(Cl),7803
756,756,O)c(O),7794
757,757,Cc1ccc(C,7793
758,758,[n+]1,7788
759,759,(=C(C,7748
760,760,)c5ccccc5,6441
761,761,)c4ccccc4,7104
762,762,)cc1OC,7696
763,763,(N),7639
764,764,\C=C\C(=O),7630
765,765,ccccc7,1871
766,766,c3cccc4,7628
767,767,OCCOCC,7608
768,768,N1C(=O),7604
769,769,\C=C\C,7596
770,770,Cc1ccc2,7584
771,771,\C=C\2/,7509
772,772,sc3,7504
773,773,c3cccnc3,2300
774,774,2)C(=O)NC,7470
775,775,[C@]5,7443
776,776,%3,7436
777,777,[C@H]2CC,7414
778,778,c1ccc(cc1)S(=O)(=O)N,7396
779,779,\N,7389
780,780,c1cccc(C,7375
781,781,c1ncc,7363
782,782,Cc1ccccc1,7356
783,783,OCCC,7346
784,784,2)c3ccc(cc,7336
785,785,c1c2,7326
786,786,COC,7320
787,787,[C@H](NC(=O)C,7287
788,788,CCC(=O)N,7266
789,789,(CO,7263
790,790,COc1cccc(,7230
791,791,OC)c(OC)c(OC,7225
792,792,c1)c2,7191
793,793,NC(=O)[C@H](CCCCN),7189
794,794,3)c1,7180
795,795,N(C)C(=O),7150
796,796,2CCOCC,7147
797,797,)C#N,1645
798,798,(C)c3,7118
799,799,c2nn,7115
800,800,CC1=C,7108
801,801,2)C(=O)C,7105
802,802,CCCCCCCCCCCC,7082
803,803,COc1cc(cc(OC)c1,7073
804,804,n1C,1636
805,805,13,7067
806,806,CS(=O)(=O),7027
807,807,[C@@H]5,7020
808,808,N2C(=O),6988
809,809,CCN(CC),6964
810,810,[C@@H](NC(=O),6952
811,811,[C@@H]1O),6948
812,812,[C@H](OC(=O),6928
813,813,NC(=O)[C@H](CC(=O)O),6917
814,814,(C)C)C(=O)N[C@@H](CC,6916
815,815,[C@]4(C),6910
816,816,(CCCC,6902
817,817,(=C),6892
818,818,sc2,6883
819,819,cccnc,6879
820,820,[C@@](C),6879
821,821,N(C(=O),6859
822,822,(CC(C,6858
823,823,c2cccnc2,1670
824,824,oc(nn,6851
825,825,c2ccccc2)C,6830
826,826,cncn,6824
827,827,c2c(C,6819
828,828,CN1CCN(CC,6818
829,829,)c2cc1,6793
830,830,cc(cn,6784
831,831,(Cl)c(Cl)c,6782
832,832,5CCCC,6759
833,833,[C@H](O)[C@@H](O),6742
834,834,)C2=O,6741
835,835,(NC(=O),6726
836,836,sc1,6720
837,837,co,6712
838,838,(CO),6692
839,839,(F)(F)C,6690
840,840,ncc3,6672
841,841,1CCC,6669
842,842,(C(=O),6665
843,843,c1ccc(cc1)C(=O)N,6622
844,844,NC(=O)[C@H](CCC(=O)O),6622
845,845,[Br,6619
846,846,[Br-].,6615
847,847,OCOc5,6599
848,848,c2ccc(cc2)C,6596
849,849,=C(C),6587
850,850,[C@H](CO),6583
851,851,cc(CC,6535
852,852,c3ccc(cc3,6534
853,853,cc(OC,6528
854,854,c3C,6527
855,855,c3o,6514
856,856,c1ccc2C,6494
857,857,)C(=O)O),6493
858,858,[C@H](NC(=O)[C@H](C,6461
859,859,1=N,6459
860,860,c1ccc(O),6455
861,861,=CC=C,6448
862,862,[C@@H](O[C@@H],6431
863,863,COc1cccc(c1,6423
864,864,5CCCCC,6415
865,865,4CCOCC4,6413
866,866,O1,6410
867,867,COCC,6391
868,868,c3ccc(Cl)cc3,4303
869,869,NS(=O)(=O)C,6359
870,870,SSC,6355
871,871,4CCN(CC,6352
872,872,NC(=O)[C@@H](C,6345
873,873,COc1cc(ccc1,6338
874,874,2C(=O),6331
875,875,C(=O)N[C@@H](CCCNC(=N)N),6326
876,876,c2ccccc2)c3,6322
877,877,NC(=O)[C@H](CC(=O)N,6319
878,878,cccc3,6317
879,879,)c2),6317
880,880,[C@H](O,6316
881,881,N1CC,6314
882,882,NC(=O)c2cc(,6298
883,883,c2),6293
884,884,c3cc4,6289
885,885,1Cl,6276
886,886,c1c(C),6262
887,887,N3C,6256
888,888,Cc1cccc(,6249
889,889,3CCOCC3,6248
890,890,c1ccc2c(,6244
891,891,C(,6221
892,892,O)\,6220
893,893,c3occc,6216
894,894,C(=O)C(=C,6214
895,895,[C@@H](C)CC,6210
896,896,C[C@]1,6194
897,897,#N)C,6194
898,898,nc(cs,6183
899,899,F)cc(,6179
900,900,3)c4ccc(,6179
901,901,=C(O,6169
902,902,/C/,6168
903,903,2CCC(CC,6160
904,904,1)C2,6146
905,905,NC(=O)[C@@H](N)C,6143
906,906,CN2C(=O),6143
907,907,O[C@H](CO)[C@@H](O)[C@H](O),6114
908,908,ncnc(N,6078
909,909,1CCN(CC,6073
910,910,c3ccc(cc3)C,6070
911,911,Nc1n,6066
912,912,c2ccccc12),6061
913,913,CCN1C,6057
914,914,)c3ccc(,6049
915,915,(O)CC,6037
916,916,[C@H]6,6032
917,917,cccc2,6020
918,918,c3ccc(C,5996
919,919,cnc(,5986
920,920,NCCCC,5984
921,921,Cl.Cl.,5978
922,922,[S+],5959
923,923,O)cc1,5956
924,924,)c2C,5945
925,925,no,5923
926,926,.OC(=O),5922
927,927,C[C@H]1,5920
928,928,c1ccc(NC(=O),5919
929,929,C(C,5915
930,930,nn(,5906
931,931,c2ccc(cc2)c3,5903
932,932,cc5,5901
933,933,c3ccccc23,5890
934,934,(=O)O,5875
935,935,Cc1cc(C),5864
936,936,c2c(C),5863
937,937,(CC(=O)O),5847
938,938,NCCC,5836
939,939,cccc(C,5808
940,940,4=C,5806
941,941,ccc(C)cc,5796
942,942,ccccc14,5783
943,943,CCCCCCCCCCCCCCCC,5767
944,944,c3ccc(C)cc,5730
945,945,c3ccccc3)c4,5725
946,946,=CC(=O)N,5715
947,947,[C@H]7,5700
948,948,[C@H]4C,5697
949,949,c4cccc(c4,5696
950,950,c5ccc(cc,5693
951,951,c1cc(ccc1,5686
952,952,nc(NC,5674
953,953,)cc2),5664
954,954,2CCN(C,5637
955,955,=C1,2548
956,956,6)C,5619
957,957,C(=O)N[C@@H](CCCCN,5610
958,958,[C@H](OC(=O)C),5596
959,959,c1ccccc1)c2,5590
960,960,)C(=O)OC,5590
961,961,ncc2,5569
962,962,1)S(=O)(=O),5565
963,963,4)c3,5554
964,964,(Cl)c1,5554
965,965,s2),5523
966,966,c3ncc,5518
967,967,c13,5515
968,968,c2ccc3ccccc3,5488
969,969,c5ccccc5),5487
970,970,c3ccccc3)C,5486
971,971,c2nc3,5485
972,972,3)c(,5482
973,973,[C@@]2(C),5469
974,974,#N)c(,5453
975,975,3CCCCC3,1984
976,976,ccc3C,5386
977,977,n3)c4,5357
978,978,\C=C\C(=O)N,5357
979,979,CCC(C),5357
980,980,1CCCCC,5345
981,981,Cc1c(,5344
982,982,c3ccc(Br)cc,5336
983,983,CN(C)C(=O),5326
984,984,[C@@H]4C,5320
985,985,3)N4,5307
986,986,[C@@H](O)[C@H](O),5302
987,987,\C=C/C,5286
988,988,c1ccc(O)cc1),5274
989,989,c4cc5,5271
990,990,ncc1,5251
991,991,cc(NC(=O),5242
992,992,c1c(C,5236
993,993,3)S(=O)(=O),5226
994,994,=C3,5207
995,995,cccc(c3,5196
996,996,)cc4,4548
997,997,OC(F)(F)F)cc,5188
998,998,4C),5188
999,999,nccc(,5187
1000,1000,c1nnc(,5181
1001,1001,OC(,5177
1002,1002,5CCC,5177
1003,1003,COC1,5172
1004,1004,c1ccc(O,5165
1005,1005,C[C@H](,5164
1006,1006,N2CCC(CC,5163
1007,1007,c1cc(C,5154
1008,1008,nn3,2175
1009,1009,[C@@H](C)C,5118
1010,1010,n2)C,5116
1011,1011,2)N3,5115
1012,1012,c2ccc(Br)cc,5114
1013,1013,[C@]3(C),5109
1014,1014,c2o,5089
1015,1015,ccc2C,5086
1016,1016,c3c[nH]c4ccccc3,5081
1017,1017,OC(=O)CC,5080
1018,1018,cc2C,5074
1019,1019,[C@]2(C),5073
1020,1020,c5cc(,5072
1021,1021,CS(=O)(=O)N,5062
1022,1022,=C),5062
1023,1023,c2nnc(,5043
1024,1024,4)c5ccccc5,4707
1025,1025,c4ccc(O)cc,5029
1026,1026,N=C1,5020
1027,1027,cc(ccc2,5015
1028,1028,2)c1,5015
1029,1029,(C)C)N,5011
1030,1030,O[C@@H](,5009
1031,1031,[Na+].[Na+].,4990
1032,1032,CN1CCN(CC1)c2,4988
1033,1033,NC(=O)[C@@H](N),4979
1034,1034,[C@H](C)C,4970
1035,1035,(F)(F)F,2621
1036,1036,N2CCCC,4965
1037,1037,2)c3cccc,4949
1038,1038,c2ccc(C)cc,4946
1039,1039,Oc3ccc(,4945
1040,1040,\N=C(/,4926
1041,1041,c1ccc(OC,4925
1042,1042,1)c2ccc(,4921
1043,1043,Nc1ncn,4909
1044,1044,NC(=O)[C@H](CCC(=O)N),4908
1045,1045,OC)C,4907
1046,1046,cc(C(=O)N,4906
1047,1047,[Cl,4906
1048,1048,C(=O)OCC,4901
1049,1049,(=O)=O),4893
1050,1050,[Cl-].,4889
1051,1051,n(CC,4885
1052,1052,c9,4882
1053,1053,O2,4877
1054,1054,nccc,4868
1055,1055,N3CC,4867
1056,1056,NC(=O)[C@H](CC(=O)N),4863
1057,1057,2=C(C,4860
1058,1058,s4,4859
1059,1059,ccccc24,4859
1060,1060,N)c2,4854
1061,1061,ncnc3,4851
1062,1062,C(=O)CC,4848
1063,1063,COc1cc(C,4846
1064,1064,oc(cc,4831
1065,1065,n2c(,4806
1066,1066,4)cc,4801
1067,1067,4(CC,4800
1068,1068,2)c(,4789
1069,1069,c1cccnc1,4785
1070,1070,(F)(F)F),4783
1071,1071,ccc(cc2,4782
1072,1072,(=C)C,4772
1073,1073,(Cl)C,4760
1074,1074,N2CCC,4754
1075,1075,P(=O)(,4753
1076,1076,C[C@@H](,4747
1077,1077,=CC(=O)C,4745
1078,1078,s3),4731
1079,1079,cc6,4728
1080,1080,c2occc,4727
1081,1081,)C(F)(F)F)cc,4727
1082,1082,CCCNC(=O),4722
1083,1083,[n+]2,4704
1084,1084,c3c(C),4696
1085,1085,1)C(=O)C,4692
1086,1086,nc2c1,3473
1087,1087,)CC2,4666
1088,1088,CCOc1ccc(,4665
1089,1089,c(Cl)c,4664
1090,1090,\C=C(/C)\,4659
1091,1091,1=C(C),4658
1092,1092,4)c1,4654
1093,1093,c3ccncc,4653
1094,1094,CC2,3131
1095,1095,O[C@H]([C@H](O),4640
1096,1096,(O)(,4639
1097,1097,COc1cccc(C,4626
1098,1098,4CC4,4621
1099,1099,=[N+],4613
1100,1100,c(F)cc,4606
1101,1101,[C@@H]6,4599
1102,1102,)c2ccccc2,4599
1103,1103,CC(C)C[C@H](,4598
1104,1104,CC(C)(C)O,4595
1105,1105,c3cccc(Cl)c3,4593
1106,1106,(C)(C)C)C,4593
1107,1107,nn1,2144
1108,1108,=C2,4579
1109,1109,C(=O)NCC(=O)N,4576
1110,1110,C[C@@H]1CC,4574
1111,1111,CN4,4565
1112,1112,Cc1ccc(cc1,4564
1113,1113,c3nc(,4562
1114,1114,2)S(=O)(=O)N,4560
1115,1115,c3ccc(F)cc3,3271
1116,1116,ccc1C,4552
1117,1117,[C@@H]1O,4548
1118,1118,CC(C)O,4546
1119,1119,c2ccc3OCO,4535
1120,1120,3)c4ccc(cc,4529
1121,1121,c2nc3ccccc3,4528
1122,1122,c5cccc,4526
1123,1123,O)[C@H](O),4520
1124,1124,CC(C)(C)C,4516
1125,1125,C(=O)N[C@@H](C),4511
1126,1126,OC)c3,4504
1127,1127,=CC(=O)O,4498
1128,1128,[C@@]4(C),4488
1129,1129,O=C(CC,4488
1130,1130,C),4487
1131,1131,CNCC,4485
1132,1132,)CC1,4483
1133,1133,n3C,4479
1134,1134,CCCN(CC,4469
1135,1135,cccc1,4468
1136,1136,NC(=O)\C=C\,4467
1137,1137,O)c3,4461
1138,1138,O[C@@H]1,4456
1139,1139,[C@@H]7,4444
1140,1140,5=O),4443
1141,1141,c2ccc(O,4437
1142,1142,N(C(=O)C,4435
1143,1143,NC(=O)CO,4431
1144,1144,c1o,4427
1145,1145,[C@]12C,3348
1146,1146,[C@]1(C),4418
1147,1147,c3ccc4OCO,4411
1148,1148,4=O,4411
1149,1149,N=C2,4397
1150,1150,c1)C(=O)N,4368
1151,1151,4CCCCC4,4365
1152,1152,([O-]),4359
1153,1153,c2ccc(O)cc2),4355
1154,1154,[nH]cn,4351
1155,1155,c3ccc(OC)cc,4350
1156,1156,CN1C(=O)C,4350
1157,1157,NC(=O)CN,4334
1158,1158,c3ccc4ccccc4,4332
1159,1159,Cc1cc(C,4332
1160,1160,c2ccc(cc2)S(=O)(=O)N,4328
1161,1161,O[C@H]1,4322
1162,1162,%11,4305
1163,1163,c2s,4299
1164,1164,N(C)C),4298
1165,1165,CC(=O)O),4297
1166,1166,N=C(N),4292
1167,1167,)[N+](=O)[O-],3962
1168,1168,2)c3ccc4,4289
1169,1169,c7ccccc7,4283
1170,1170,[I,4257
1171,1171,c3c(O),4256
1172,1172,[C@@H](O)CC,4243
1173,1173,3CCN(C,4240
1174,1174,c2c[nH]c3ccccc23),4233
1175,1175,c3ccccc3)c4ccccc4,3465
1176,1176,[I-].,4227
1177,1177,=CC(=O)NC,4223
1178,1178,3)C(=O)C,4213
1179,1179,[O-]),4202
1180,1180,NC(=O)C1,4190
1181,1181,c4ccc(C)cc,4187
1182,1182,(C2),4187
1183,1183,c4ccc(cc4,4185
1184,1184,COc1ccc(cc1)C2,4170
1185,1185,C(F)(F)F,4170
1186,1186,\C(=C(,4163
1187,1187,1)N,4162
1188,1188,N(CC(=O)N,4157
1189,1189,3)c5,4157
1190,1190,1)c2ccccc,4151
1191,1191,c4ccccc34,4150
1192,1192,c3ccccc13,4150
1193,1193,ccnc3,4147
1194,1194,CCCC1,4142
1195,1195,3)c4cccc,4140
1196,1196,Cc1cn,4139
1197,1197,CSCC,4138
1198,1198,c5cccc(,4136
1199,1199,(=N)N,3126
1200,1200,n4),4132
1201,1201,[C@H]4CC,4128
1202,1202,2=O)cc1,4125
1203,1203,c4ccncc,4123
1204,1204,)c3ccc(cc,4105
1205,1205,c4c[nH],4099
1206,1206,n6,4093
1207,1207,Clc1ccc(C,4089
1208,1208,)c(OC)c1,4088
1209,1209,[H],4080
1210,1210,)c(Cl)c1,4078
1211,1211,sc4,4076
1212,1212,N[C@@H](C,4075
1213,1213,CCN(CC)CC,4075
1214,1214,NC(=O)[C@@H](CC,4071
1215,1215,NC(=O)C),4059
1216,1216,Oc1ccc2,4056
1217,1217,[C@]6,4054
1218,1218,c2cc(C),4044
1219,1219,(CC(=O),4044
1220,1220,N3CCCC,4038
1221,1221,3)C(=O)NC,4031
1222,1222,Fc1ccccc1,4027
1223,1223,[C@@H]4[C@@]5,4023
1224,1224,nc12,4018
1225,1225,Cc1nc(,4018
1226,1226,CC[C@H]1,4013
1227,1227,2=,4008
1228,1228,O=,4005
1229,1229,N2C(=O)C,3989
1230,1230,Fc1ccc(C,3980
1231,1231,c1ccc(Cl)cc1,3977
1232,1232,2CCCN(C,3977
1233,1233,O[C@@H]2,3974
1234,1234,NC(=O)[C@H](Cc1ccccc1),3972
1235,1235,CC1CC,3972
1236,1236,c3cc(C),3969
1237,1237,c1O,3959
1238,1238,c2ccc(OC,3954
1239,1239,CCCC(=O)N,3951
1240,1240,occc4,3942
1241,1241,c2ccc(N,3940
1242,1242,COc1cccc2,3938
1243,1243,c5ccc(F)cc,3929
1244,1244,OCC1,3927
1245,1245,O[C@@H](C,3927
1246,1246,=C(C)C,3927
1247,1247,cc(nn,3925
1248,1248,=C(N,3917
1249,1249,c(NC,3916
1250,1250,c2c(O),3913
1251,1251,[C@H]8,3913
1252,1252,3Cl,3912
1253,1253,2)c3ccc(Cl)cc,3912
1254,1254,N2CCN(CC2)C(=O),3911
1255,1255,c2ccncc,3904
1256,1256,)C3,3902
1257,1257,#CC,3897
1258,1258,)n2,1786
1259,1259,4)c(,3886
1260,1260,F.,3881
1261,1261,c4cccnc4,1663
1262,1262,Clc1ccccc1,3877
1263,1263,OCC(=O),3872
1264,1264,nc2C,3871
1265,1265,[C@@H](N),3863
1266,1266,ccc12,3862
1267,1267,c1ccc(C),3858
1268,1268,cocc,3856
1269,1269,c2ccc(OC)cc,3855
1270,1270,[C@@H]([C@@H](C)O),3850
1271,1271,nc5ccccc5,3844
1272,1272,CC1=N,3842
1273,1273,3CC4CC,3832
1274,1274,c2cc(ccc2,3828
1275,1275,)c4ccc(,3822
1276,1276,OCCCN,3811
1277,1277,(=O)O)C(=O),3809
1278,1278,=C(C)C(=O)NC,3808
1279,1279,nc3ccccc3,3801
1280,1280,Cc1o,3801
1281,1281,cc(OC)c1OC,3800
1282,1282,nc6,3791
1283,1283,CCOC(=O)C1,3788
1284,1284,F)c1,3357
1285,1285,c2ccc(NC(=O),3769
1286,1286,CN3C(=O),3769
1287,1287,[C@H](C)O,3766
1288,1288,Br.,3763
1289,1289,C\C(=N/,3762
1290,1290,N2CCOCC,3761
1291,1291,N(CCC,3760
1292,1292,c2cc(Cl),3757
1293,1293,OC(=O)C)C,3753
1294,1294,Cc1ccc(cc1)c2,3753
1295,1295,[C@@]2(CC,3747
1296,1296,3)c4ccc(F)cc,3746
1297,1297,Clc1ccc2,3742
1298,1298,#N)c2,3735
1299,1299,[C@@H](OC(=O)C),3734
1300,1300,c3nn,3725
1301,1301,(C)C)C(=O),3715
1302,1302,\N=C/,3712
1303,1303,5)N,3712
1304,1304,c(N)ncn,3711
1305,1305,)C(=O)N[C@@H](CCCCN,3710
1306,1306,c3c(C,3707
1307,1307,c1c[nH]c2ccccc12),3704
1308,1308,NC(=O)C2,3704
1309,1309,3)S(=O)(=O)N,3699
1310,1310,[C@H](N)C,3689
1311,1311,c1oc(,3685
1312,1312,c5ccc(Cl)cc,3684
1313,1313,CCCCO,3683
1314,1314,ccccc8,3668
1315,1315,1=O)C,3668
1316,1316,2)n3,3667
1317,1317,c4cccc5,3664
1318,1318,c1cccc,3661
1319,1319,NC(=O)CN2,3659
1320,1320,c%2,3658
1321,1321,Fc1ccc(cc1),3655
1322,1322,2CCN(CC2)c3,3651
1323,1323,FC,3649
1324,1324,)c8,3649
1325,1325,c1cccc(c1)N,3644
1326,1326,S1,3643
1327,1327,)cc1Cl,3642
1328,1328,%4,3640
1329,1329,5CCOCC5,3639
1330,1330,CC(=O)N1,3631
1331,1331,n2cc,3629
1332,1332,1/,3623
1333,1333,c2ncc,3614
1334,1334,cccnc3,2057
1335,1335,O.,3603
1336,1336,Cc1cc2,3598
1337,1337,[C@@]3(C),3595
1338,1338,COc1ccc2c(,3590
1339,1339,c3nc4ccccc4,3587
1340,1340,CC(N,3587
1341,1341,c1ccc(Nc2,3586
1342,1342,nc(O),3575
1343,1343,7),3571
1344,1344,)cc1),3570
1345,1345,\C(=O)N,3564
1346,1346,C[C@@H](O),3563
1347,1347,Br)c(,3563
1348,1348,[N-],3560
1349,1349,F)c5,3556
1350,1350,CN2C,3554
1351,1351,ccccc34,3553
1352,1352,CCC(,3552
1353,1353,CC1=O),3551
1354,1354,(CC),3546
1355,1355,c4C,3537
1356,1356,[C@@](C)(C,3535
1357,1357,Cc1nn,3534
1358,1358,c4ccccc4)CC,3525
1359,1359,CN1C(=O)N(C,3524
1360,1360,COc1ccc(cc1OC,3522
1361,1361,2)C3,3519
1362,1362,(C)cc3,3519
1363,1363,n1)C,3518
1364,1364,C(=O)O)C,3518
1365,1365,c1)C,3517
1366,1366,N2CCN(C,3517
1367,1367,c1c(O),3513
1368,1368,cc(N,3506
1369,1369,c4ccccc4)C,3498
1370,1370,NC(=S),3495
1371,1371,Cc1ccc(cc1)S(=O)(=O)N,3494
1372,1372,2CCN(CC2)C(=O),3490
1373,1373,COc1ccc(cc1)C,3486
1374,1374,n2)cc1,3485
1375,1375,cc(cc1,3483
1376,1376,ccc6,3480
1377,1377,[nH]2,3476
1378,1378,3)c4cccc(,3472
1379,1379,c2ccc(Cl)cc2),3467
1380,1380,O=C1C,3463
1381,1381,OC(C)(C)C,3461
1382,1382,CCN(CC1)C(=O),3460
1383,1383,[C@@H](OC(=O),3458
1384,1384,c2ccc(cc2)C(=O)N,3447
1385,1385,)c(C)c1,1614
1386,1386,c2ccccc2)c3ccccc3,1668
1387,1387,C(=O)N[C@@H](CCC(=O)O),3438
1388,1388,Cc1onc(,3437
1389,1389,c4ccc(cc4)C,3432
1390,1390,N3CCOCC,3429
1391,1391,[C@@H]5C,3425
1392,1392,(nn,3423
1393,1393,O=C(NC,3422
1394,1394,(=C(,3422
1395,1395,cc(C)c1,3420
1396,1396,CN(C(=O),3419
1397,1397,[C@H](Cc1ccccc1),3417
1398,1398,c3cc(Cl),3405
1399,1399,)cn1,3402
1400,1400,COP(=O)(O),3393
1401,1401,C[N+],3393
1402,1402,CCCCCCC,3392
1403,1403,c1s,3387
1404,1404,c6ccccc5,3385
1405,1405,(C)(C)CC,3381
1406,1406,nnc1,3380
1407,1407,cc(F),3376
1408,1408,4)C2,3375
1409,1409,#N)c3,3373
1410,1410,NC(=O)[C@H](Cc2ccccc2),3368
1411,1411,c%10,3365
1412,1412,3)c2,3363
1413,1413,c5ccc6,3361
1414,1414,[Si,3358
1415,1415,CC(=O)C,3355
1416,1416,(C)C)C(=O)N[C@@H](C,3349
1417,1417,[C@@H](N)C,3345
1418,1418,COC(=O)N,3344
1419,1419,cccc(c2,3343
1420,1420,.OC(=O)C(=O)O,3342
1421,1421,noc(,3337
1422,1422,c3ccc(Cl)cc3),3337
1423,1423,CC1=C(C,3337
1424,1424,n3)C,3335
1425,1425,CN1CCC,3334
1426,1426,[C@H]3O),3331
1427,1427,c2ccccc2Cl,3329
1428,1428,c1nc2ccccc2,3329
1429,1429,ccc1O,3322
1430,1430,OC(C)(C),3322
1431,1431,3)c4ccc(Cl)cc,3319
1432,1432,c3s,3316
1433,1433,[Si],3315
1434,1434,1)c2ccc(cc,3311
1435,1435,c1cnc(,3310
1436,1436,NC(=O)[C@@H](NC(=O),3307
1437,1437,2)c3ccccc3),3304
1438,1438,C[C@]12CC,3298
1439,1439,3CCCCC3),3295
1440,1440,c3cc2,3287
1441,1441,c4o,3280
1442,1442,NC2,3280
1443,1443,n2cnc3c(,3277
1444,1444,[C@H]1O,3276
1445,1445,c12),3274
1446,1446,s1),3272
1447,1447,[C@H](OC,3272
1448,1448,[C@H]1CC[C@H]2,3267
1449,1449,3CCC(CC,3262
1450,1450,CCOc1ccccc1,3259
1451,1451,CC1(C)CC,3252
1452,1452,NC(=N,3245
1453,1453,CCN(,3245
1454,1454,(=C1C,3243
1455,1455,c1[nH],3241
1456,1456,4=N,3241
1457,1457,cc(c2,3240
1458,1458,3CCCC3,3238
1459,1459,Oc1cc(,3235
1460,1460,n2nc(,3231
1461,1461,CN(CC(=O)N,3226
1462,1462,c1cccc(c1)C(=O)N,3225
1463,1463,7C,3219
1464,1464,(=C1,3219
1465,1465,OC2,3205
1466,1466,=[N+]=,3205
1467,1467,NCCCN,3204
1468,1468,4)c2,3201
1469,1469,C(=O)C(=,3195
1470,1470,NC(=O)N(C,3194
1471,1471,2C1=O),3191
1472,1472,CC[C@H](C)[C@H](,3188
1473,1473,c(OC,3187
1474,1474,cccc4,3183
1475,1475,c3ccccc3C2=O),3181
1476,1476,NC(=N)N,3181
1477,1477,CC(=,3181
1478,1478,NC2=O),3179
1479,1479,OP(=O),3176
1480,1480,N=C(C,3174
1481,1481,C(=O)N2,3173
1482,1482,5)cc1,3173
1483,1483,CCS,3169
1484,1484,c2cccc3ccccc2,3166
1485,1485,c3ccc(Cl)c,3163
1486,1486,c2ccc3OCOc3c2,3161
1487,1487,N3CCCCC,3160
1488,1488,CCN1C(=O),3160
1489,1489,NC(=O)[C@H](CCCN=C(N)N),3156
1490,1490,5CCN(CC,3152
1491,1491,(C1),3152
1492,1492,=CC(=NC,3149
1493,1493,5)C(=O)N,3146
1494,1494,)C1,1968
1495,1495,CC(C)C[C@H](NC(=O),3136
1496,1496,n3cn,3129
1497,1497,\C=N\NC(=O),3126
1498,1498,c34,3122
1499,1499,c1ccccc1)C,3119
1500,1500,(C)(C)[C@@H]5CC,3117
1501,1501,[C@H]5C,3116
1502,1502,[C@H](O[C@@H],3115
1503,1503,(C)cc2,3106
1504,1504,)c2ccc(,3101
1505,1505,C(=O)C=C,3094
1506,1506,CCCC(=O),3092
1507,1507,O=C(N1,3091
1508,1508,)c4ccc(cc,3088
1509,1509,n1c(,3087
1510,1510,4CC4),3082
1511,1511,[C@H]2O),3078
1512,1512,COc1cc(cc(OC)c1OC,3077
1513,1513,C(=O)NC(=N,3068
1514,1514,c2ccc(Cl)cc2,2694
1515,1515,[C@@]6,3065
1516,1516,c4ccc(Cl)cc4,2432
1517,1517,P(=O)(O)O),3060
1518,1518,O=S(=O),3057
1519,1519,c3ccc(cc2,3055
1520,1520,C(=O)N2C,3055
1521,1521,c2ccc(F)cc2),3054
1522,1522,NC(C,3049
1523,1523,(C)O,3049
1524,1524,4CCCC4,3045
1525,1525,c1Cl,3041
1526,1526,c3ccc(O)cc3),3029
1527,1527,c5ccccc5C,3027
1528,1528,)C(=O)N[C@@H](CCCNC(=N)N),3026
1529,1529,C[C@@]1,3007
1530,1530,OC3,3006
1531,1531,nc23,2992
1532,1532,2CCCCC2),2992
1533,1533,Oc3cc(,2991
1534,1534,3)c4ccc,2991
1535,1535,2)c3cc(,2989
1536,1536,CN1C(=O)N,2985
1537,1537,Nc1ncnc2c1,2984
1538,1538,Br)c,2982
1539,1539,COc1ccc(OC)c(,2976
1540,1540,[C@H](N,2974
1541,1541,4)C(F)(F)F,2973
1542,1542,[C@@]34C),2969
1543,1543,c4ccc(cc4),2964
1544,1544,Oc4ccccc4,2964
1545,1545,c3cccs,2962
1546,1546,COc1ccc(cc1)S(=O)(=O)N,2962
1547,1547,nn[nH],2960
1548,1548,c1nc(C,2954
1549,1549,c2ccc3c(,2951
1550,1550,=C(C(=O)N,2946
1551,1551,3C1=O,2945
1552,1552,c5ccccc45,2943
1553,1553,c3ncn,2943
1554,1554,=C(C(=O)O)C(=O),2942
1555,1555,cn3,2941
1556,1556,N3CCC(CC,2941
1557,1557,COc1ccccc1C,2941
1558,1558,cc(Cl)ccc3,2939
1559,1559,%12,2939
1560,1560,5)C(=O),2931
1561,1561,[C@]3(C)C,2928
1562,1562,c2cccc(C,2927
1563,1563,Oc2ccc(,2927
1564,1564,NC(=O)C(,2927
1565,1565,O[C@@H](O,2925
1566,1566,Cc1oc(,2922
1567,1567,)c2cc1OC,2922
1568,1568,[n+]([O-],2914
1569,1569,\S,2912
1570,1570,OO,2909
1571,1571,c4ccc(F)cc4,2724
1572,1572,c3ccc4OCOc4c3,2907
1573,1573,c3ccc(cc3)c4ccccc4,2906
1574,1574,c1ccc(F)cc,2904
1575,1575,CCCCC1,2898
1576,1576,c3nc4,2897
1577,1577,4CC5CC,2889
1578,1578,6CCOCC,2886
1579,1579,S)N,2885
1580,1580,c4ccc(C,2881
1581,1581,O)c(C,2881
1582,1582,7CC,2881
1583,1583,c3),2878
1584,1584,[n+](C,2878
1585,1585,3)n4,2876
1586,1586,C(=O)N[C@@H](CCCN=C(N)N),2872
1587,1587,NC(=O)[C@@H](NC(=O)[C@H](C,2871
1588,1588,CC(C)n1,2869
1589,1589,COc1cc(OC),2868
1590,1590,Cc1nc2,2866
1591,1591,[C@@H]4[C@@]5(C)CC,2858
1592,1592,CC(=O)N[C@@H](C,2858
1593,1593,(CC1,2857
1594,1594,CCCCN,2852
1595,1595,5CC5,2852
1596,1596,[n+]3,2850
1597,1597,CC1C,2849
1598,1598,)C1=O,2846
1599,1599,)C(F)(F)F)C,2843
1600,1600,c2ccccc2)C(=O)N,2842
1601,1601,CC(O),2842
1602,1602,[nH]3,2839
1603,1603,c1)c3,2837
1604,1604,SC),2837
1605,1605,c5c4,1725
1606,1606,Nc2ncn,2826
1607,1607,NC(=O)CNC(=O),2826
1608,1608,c1)S(=O)(=O)N,2822
1609,1609,)C(F)(F)F)c3,2821
1610,1610,Oc1ccccc1,2820
1611,1611,c3ccccc1,2816
1612,1612,CCOC(=O)N1,2812
1613,1613,OCCCO,2811
1614,1614,N(C)C(=O)N,2807
1615,1615,CCC(=O),2806
1616,1616,1)c2ccc3,2802
1617,1617,[C@]4(C)[C@H]3CC,2801
1618,1618,ONC(=O),2800
1619,1619,\C(=C/C,2799
1620,1620,c3ccc(F)cc3),2795
1621,1621,COc1cccc(c1)c2,2792
1622,1622,Cn1c(,2791
1623,1623,OC3=O),2787
1624,1624,O)cc2,2787
1625,1625,3C2=O),2787
1626,1626,)c3),2787
1627,1627,cnn(C,2784
1628,1628,c2c1)c3,2781
1629,1629,[C@@H]1CCCN1C(=O),2781
1630,1630,)cc2)cc1,2780
1631,1631,3/,2776
1632,1632,ns,2772
1633,1633,CCN(C)C,2772
1634,1634,6)c7,2772
1635,1635,n2CC,2770
1636,1636,CCN1CC,2768
1637,1637,5)c4,2767
1638,1638,SCC(=O),2766
1639,1639,C(=O)N[C@@H](CO),2765
1640,1640,c4cccc(Cl)c4,2762
1641,1641,n1CC,2760
1642,1642,c4ncc,2759
1643,1643,N3CCC,2759
1644,1644,[C@@H](O[C@H],2757
1645,1645,2)c3ccc(F)cc,2756
1646,1646,nc4ccccc4,2752
1647,1647,O[C@H]2,2746
1648,1648,c1ccccc1)C(=O)N,2736
1649,1649,)C2=N,2736
1650,1650,2=C(,2735
1651,1651,n2cc(C,2729
1652,1652,2)C(=O)O,2728
1653,1653,c3occc3,2169
1654,1654,)c4cccc(,2726
1655,1655,(O)C(O)C,2726
1656,1656,cn2,2716
1657,1657,n2nn,2715
1658,1658,c2cc(C,2715
1659,1659,\N=N\,2714
1660,1660,O[C@H](C)C,2714
1661,1661,O)C(=O),2712
1662,1662,Clc1ccc(cc1),2712
1663,1663,c2cccs,2707
1664,1664,(=O)=O,2707
1665,1665,=C(C(=O),2706
1666,1666,)cc3),2706
1667,1667,CCCCN1,2700
1668,1668,c3ccc(OC,2696
1669,1669,CC(CC,2694
1670,1670,CC1(C)C,2689
1671,1671,c1C(=O)N,2684
1672,1672,[C@H](C(=O)N,2682
1673,1673,OC(=O)[C@H](C),2682
1674,1674,[C@@H]([C@@H](C)CC,2679
1675,1675,NC3=O),2679
1676,1676,O[C@H]1C,2676
1677,1677,C(=O)N[C@@H](CCC(=O)N,2670
1678,1678,O[C@@H]3,2669
1679,1679,CN4C(=O),2662
1680,1680,3)C(F)(F)F,2661
1681,1681,NC1=O,2659
1682,1682,CC(=O)N[C@@H](CC,2655
1683,1683,nc3ccccc2,2648
1684,1684,ncn2,2638
1685,1685,)c(CC,2637
1686,1686,2CC3CC,2635
1687,1687,[C@]5(C),2631
1688,1688,c4ccc(Br)cc,2630
1689,1689,(=C(C),2630
1690,1690,ccccc15,2628
1691,1691,COc1c(,2627
1692,1692,c3ccccc3Cl,1759
1693,1693,Fc1cc(,2626
1694,1694,\C(=C\C,2624
1695,1695,CCCCCCCCCC,2617
1696,1696,n4)c5,2611
1697,1697,O)CC,2611
1698,1698,(CC)C,2609
1699,1699,c4ccc(OC)cc,2608
1700,1700,(Cl)c5,2606
1701,1701,[C@H](O)CC,2605
1702,1702,Nc2cc(,2605
1703,1703,Clc1cc,2604
1704,1704,S2,2602
1705,1705,OC)N,2602
1706,1706,O[C@@H]1C,2600
1707,1707,c4ccccc34),2599
1708,1708,C(=O)O)C(=O)O,2597
1709,1709,n1)c3,2596
1710,1710,N4CCCC,2593
1711,1711,ccnc1,2591
1712,1712,SC(=S)N,2591
1713,1713,cc1C,2589
1714,1714,NC1=N,2587
1715,1715,)O,2582
1716,1716,OCC(O),2577
1717,1717,N2CCCCC,2575
1718,1718,Br)c2,2574
1719,1719,cc(O,2572
1720,1720,CN2CCN(CC,2572
1721,1721,=[N+]=[N-],2572
1722,1722,N[C@@H](CC,2571
1723,1723,c2cccc(Cl)c2,2567
1724,1724,[S+]([O-],2564
1725,1725,C(=O)N[C@@H](CC(=O)O),2564
1726,1726,cc(c3,2562
1727,1727,c5ccc(O)cc,2561
1728,1728,3CCCO,2561
1729,1729,2)c3cn,2559
1730,1730,)c6ccccc6,1999
1731,1731,(=CC(=O),2559
1732,1732,c5cn,2558
1733,1733,Nc2nc(,2555
1734,1734,[nH]c2,2551
1735,1735,6=O),2551
1736,1736,\C(=O),2546
1737,1737,cn1),2536
1738,1738,CO[C@H]1,2536
1739,1739,N(C)CC,2535
1740,1740,cc(ccc3,2533
1741,1741,c1sc(,2529
1742,1742,2)c3cccc(,2526
1743,1743,\C),2523
1744,1744,([H],2522
1745,1745,[O-][N+](=O)c1ccc(,2521
1746,1746,N3C(=O),2521
1747,1747,c4ccc5ccccc5,2515
1748,1748,COC(=O)C1,2515
1749,1749,ncc(C,2513
1750,1750,OP(=O)(O)O),2513
1751,1751,NCCN,2509
1752,1752,ncnc23,2508
1753,1753,[P,2505
1754,1754,c2cc1OC,2504
1755,1755,O)c4,2504
1756,1756,NC(=O)c2ccccc2,2504
1757,1757,6CCCC,2501
1758,1758,c1)N,2499
1759,1759,CC(=O)OC,2497
1760,1760,nc3c2,2489
1761,1761,[C@H](O)[C@H](O),2489
1762,1762,c4ccc5OCOc5,2484
1763,1763,3CC4CC(CC(C,2484
1764,1764,(c4ccccc4,2484
1765,1765,[C@]23,2483
1766,1766,cc(Br),2482
1767,1767,CCC2,2478
1768,1768,c6ccc(,2476
1769,1769,[C@H](Cc2ccccc2),2474
1770,1770,c3ccccc3)CC,2472
1771,1771,n(C),2471
1772,1772,[nH]c3,2471
1773,1773,c1cc(C),2470
1774,1774,c3cccc(F)c3,2466
1775,1775,CCCn1,2466
1776,1776,c3ccc(C)cc3,2260
1777,1777,c1ccc2ccccc2,2464
1778,1778,S\C(=C/,2464
1779,1779,CN1C(=O)N(C)c2,2458
1780,1780,C(=O)\C=C\,2455
1781,1781,c23),2454
1782,1782,OCOc6,2454
1783,1783,(C)C)N(C)C(=O),2449
1784,1784,NC(=O)\C(=C\,2445
1785,1785,c4ccccc2,2443
1786,1786,CN2CC,2443
1787,1787,NC(=O)COC(=O),2441
1788,1788,nnc2,2440
1789,1789,cccnc4,1880
1790,1790,c3cccs3,2430
1791,1791,CNS(=O)(=O),2429
1792,1792,)C(C)C,2427
1793,1793,1CCCC,2424
1794,1794,OC1=O,2423
1795,1795,c4[nH],2421
1796,1796,C[C@H](CO),2420
1797,1797,c2[nH],2418
1798,1798,c2ccc(cc1,2416
1799,1799,(CCCCC,2415
1800,1800,coc(,2414
1801,1801,)c(N,2413
1802,1802,P(=O)(O)O,2412
1803,1803,(C)c4,2412
1804,1804,cnc2,2409
1805,1805,c2c[nH]cn,2409
1806,1806,4)C2)C,2408
1807,1807,F)c(F)c(,2405
1808,1808,3)cc2,2392
1809,1809,OP(=O)(O)OC,2386
1810,1810,C[C@H](CC,2386
1811,1811,OC(=O)\C=C\,2383
1812,1812,c2c1)C,2382
1813,1813,O[C@H](C)C[C@@H](,2379
1814,1814,OC(=O)C(F)(F)F.,2379
1815,1815,SS,2378
1816,1816,Br)cc1,2378
1817,1817,=C4,2378
1818,1818,3)C4,2374
1819,1819,(N)C,2373
1820,1820,c(C(=O)N,2371
1821,1821,N(CCCC,2370
1822,1822,\C=C/2,2368
1823,1823,1=CC,2368
1824,1824,3CC3,2367
1825,1825,n1)C(=O)N,2366
1826,1826,cc12,2366
1827,1827,2)NC(=O),2364
1828,1828,)c3c2,2035
1829,1829,n2ccnc2,2360
1830,1830,c1ccc2nc(,2360
1831,1831,c3cc(ccc3,2356
1832,1832,2)O,2354
1833,1833,c1ccc(Cl)c(,2352
1834,1834,c3[nH],2349
1835,1835,c2ccccc2)cc1,2347
1836,1836,c(C)cc,2345
1837,1837,N4CCOCC,2345
1838,1838,CO[C@@H]1,2345
1839,1839,[C@@H]8,2343
1840,1840,F)cc1,1874
1841,1841,N1C(=O)C,2340
1842,1842,[C@](O)(C,2338
1843,1843,CCN3,2332
1844,1844,CCOc1cc(,2330
1845,1845,ccc13,2329
1846,1846,NC(=O)C(C,2328
1847,1847,COc1ccc2C,2328
1848,1848,CCOc1ccc(cc1),2326
1849,1849,Br)c3,2326
1850,1850,c3cc(C,2325
1851,1851,nc1C,2324
1852,1852,(=C2,2324
1853,1853,CCN2,2322
1854,1854,[C@@H]2CCCN2C(=O),2320
1855,1855,3=CC,2319
1856,1856,SCC(=O)NC,2317
1857,1857,cc(c1)c2,2316
1858,1858,[C@H]9,2315
1859,1859,Oc3ccccc3,2314
1860,1860,N4C,2311
1861,1861,COc1ccccc1N2CCN(CC,2309
1862,1862,c2ccc3ccccc3c2,2307
1863,1863,SSC[C@H](,2307
1864,1864,NC(=O)[C@H](CCCCN)NC(=O),2306
1865,1865,[C@H](C)CC,2305
1866,1866,c4c[nH]c5ccccc4,2303
1867,1867,6CCC,2303
1868,1868,CCN(CC)C(=O),2302
1869,1869,2CCN(CC2)S(=O)(=O),2302
1870,1870,nc3C,2299
1871,1871,l),2297
1872,1872,C[C@@H]1C,2296
1873,1873,C(=O)N)NC(=O),2295
1874,1874,S(=O)(=O)CC,2293
1875,1875,cc(ccc1,2291
1876,1876,#N)\,2290
1877,1877,3)c4ccc5,2289
1878,1878,N=C3,2288
1879,1879,5)CC,2288
1880,1880,1CCCCC1),2285
1881,1881,[C@H](C)[C@@H](O),2283
1882,1882,4)C(=O)C,2283
1883,1883,nnnn,2281
1884,1884,ccnc(,2279
1885,1885,(OC),2279
1886,1886,C[n+]1,2278
1887,1887,/C/1=C,2277
1888,1888,OC(CC,2274
1889,1889,c3ccc(cc3)S(=O)(=O)N,2271
1890,1890,C[C@H](NC(=O),2267
1891,1891,c(Cl)cccc,2263
1892,1892,n4cn,2259
1893,1893,c2ccc(Cl)cc2Cl,2257
1894,1894,5CCCCC5,2257
1895,1895,c4ccccc24,2256
1896,1896,c2ccccc2)c3ccccc,2255
1897,1897,2)c3cccc(c3,2255
1898,1898,s1)c2,2254
1899,1899,c2c3,2254
1900,1900,C(=O)N[C@@H](CC(=O)N,2254
1901,1901,%13,2254
1902,1902,c2ccc(F)cc2,1862
1903,1903,CCC2(CC,2252
1904,1904,2CCC[C@H]2,2251
1905,1905,(=C(N,2249
1906,1906,P(=O)(OC,2247
1907,1907,(F)F),2246
1908,1908,c1)C(=O),2242
1909,1909,c1onc(,2241
1910,1910,\C=C(/,2238
1911,1911,3)CC2,2235
1912,1912,3CC3),2234
1913,1913,3=O)C,2232
1914,1914,ccs,2224
1915,1915,NC(=O)C2CC,2222
1916,1916,)C(=O)NCC,2220
1917,1917,n3ccnc3,2218
1918,1918,Cc1cccc2,2218
1919,1919,1CCCN(C,2218
1920,1920,onc(n2)c3,2217
1921,1921,c3cc(OC)c(OC)c(OC,2217
1922,1922,CCN(CC(=O)N,2217
1923,1923,CN(C(=O)C,2216
1924,1924,C(=O)N1C,2215
1925,1925,O1),2213
1926,1926,[C@H](C)[C@@H](O,2212
1927,1927,Fc1ccc(cc1)c2,2212
1928,1928,ccc(N,2211
1929,1929,ccc23,2209
1930,1930,C(=O)NC(C,2209
1931,1931,cc(Cl)c,2208
1932,1932,c8ccccc8,2205
1933,1933,ccnc4,2203
1934,1934,Fc1cccc(,2203
1935,1935,2CCCCC2,2203
1936,1936,c3ccc(Cl)c(Cl)c3,2197
1937,1937,nc(n1),2196
1938,1938,3)C(=O)O,2196
1939,1939,c2cc(ccc1,2194
1940,1940,P(=S),2194
1941,1941,)c3C,2194
1942,1942,c2ccccc12,2190
1943,1943,c2ccccc2C1=O),2188
1944,1944,cc1)c2,2187
1945,1945,c2cc(Cl)ccc2,2187
1946,1946,5)cc,2187
1947,1947,c%11,2186
1948,1948,O[C@H]([C@H](O)[C@@H]1O),2186
1949,1949,CC1=CC,2186
1950,1950,ccccc45,2184
1951,1951,C(=O)C=C(O,2178
1952,1952,[C@@H]2O),2176
1953,1953,CC[C@H]1OC(=O)[C@H](C),2176
1954,1954,[C@]23C,2175
1955,1955,\C=N,2173
1956,1956,c1occc,2169
1957,1957,)C#N),2168
1958,1958,(C)C)c2,2166
1959,1959,cccs4,2165
1960,1960,3=C(C,2165
1961,1961,4Cl,2160
1962,1962,[C@H]1O),2159
1963,1963,CCNS(=O)(=O),2159
1964,1964,c2cccc(c2)c3,2158
1965,1965,cccnc2,2157
1966,1966,cc(Cl)c1,2153
1967,1967,CN(C)S(=O)(=O),2153
1968,1968,c3cc(ccc2,2152
1969,1969,c4cc5OCOc5,2151
1970,1970,COc1ccc(cc1OC)c2,2150
1971,1971,)c(Cl)cc,2149
1972,1972,(=O)OC,2149
1973,1973,[C@@H](O)[C@@H](O),2148
1974,1974,cc([nH],2147
1975,1975,CCN(C),2147
1976,1976,3CC4CC(CC(C4)C2)C,2145
1977,1977,OC2=O),2144
1978,1978,NCC(O),2144
1979,1979,2)\,2144
1980,1980,c5c[nH],2140
1981,1981,)n1,2138
1982,1982,NC(=O)c1cc(,2137
1983,1983,N4CCN(CC,2136
1984,1984,e],2131
1985,1985,OCC(=O)NC,2127
1986,1986,N1C[C@H](C),2127
1987,1987,CCC[C@H]1,2127
1988,1988,[C@H]3[C@@H](CC,2126
1989,1989,CC(C)N1,2125
1990,1990,CC[C@@]1,2122
1991,1991,NC(=O)c2cn,2119
1992,1992,N(C(C,2118
1993,1993,Clc1ccc(cc1)c2,2113
1994,1994,[C@@H](OC,2111
1995,1995,3CCC[C@H]3,2109
1996,1996,NC(=O)[C@H](Cc2ccc(O)cc2),2108
1997,1997,C(=O)N[C@H](C,2108
1998,1998,CC(C)[C@H](NC(=O),2107
1999,1999,CC(C)(C,2106
2000,2000,c3c(F)cc,2103
2001,2001,ncccc3,2102
2002,2002,Cc1n,2101
2003,2003,N4CCCCC,2098
2004,2004,Cc1cc(C)c(,2098
2005,2005,c5ccccc3,2094
2006,2006,4)C#N,2093
2007,2007,c4ccccc4)c5,2092
2008,2008,cnc(N,2088
2009,2009,c1OC,2087
2010,2010,ccncc4,2085
2011,2011,NC(=O)c2ccc(,2081
2012,2012,c2ccc(Cl)c(Cl)c,2079
2013,2013,\N=C(/C,2077
2014,2014,c3cc(Cl)ccc3,2076
2015,2015,5C(=O),2075
2016,2016,N)N,2074
2017,2017,c2oc(cc,2072
2018,2018,O)cc3,2072
2019,2019,6CCCCC,2072
2020,2020,n4C,2071
2021,2021,c4cccs,2071
2022,2022,nc(CC,2070
2023,2023,3CCN(CC3)C(=O),2070
2024,2024,c2ccc(Cl)c,2069
2025,2025,(NC(=O)C,2067
2026,2026,SC1,2065
2027,2027,CCNC(=O)N,2065
2028,2028,NC(=O)OC(C)(C)C,2064
2029,2029,N4CC,2064
2030,2030,[C@](C)(O),2062
2031,2031,CC(O,2060
2032,2032,ncccc4,2057
2033,2033,)c4),2056
2034,2034,8C,2053
2035,2035,(S,2053
2036,2036,1CCOCC,2048
2037,2037,c(C)c(C,2046
2038,2038,OC(=O)C1,2046
2039,2039,)C(F)(F)F)c4,2044
2040,2040,CCc1ccc(,2043
2041,2041,c%3,2041
2042,2042,4)C(=O)O,2041
2043,2043,(=S)NC(=O),2041
2044,2044,[C@H]3O,2040
2045,2045,NC(=O)c1cn,2040
2046,2046,CN(CCO,2040
2047,2047,Cc1cccc(C)c1,2039
2048,2048,(O)(CC,2034
2049,2049,[C@](C)(C,2033
2050,2050,F)cc3,2032
2051,2051,OCC(=O)O),2026
2052,2052,c3ccccc3)c(,2023
2053,2053,ncc4,2020
2054,2054,[C@]12C),2020
2055,2055,c24,2019
2056,2056,c3cccc4ccccc3,2016
2057,2057,ccc(OC)cc,2013
2058,2058,O[C@@H]4,2011
2059,2059,C[C@H]1C,2011
2060,2060,O[C@@H](C),2010
2061,2061,Fc1ccc2,2010
2062,2062,O=C(NCC,2009
2063,2063,CN(C)c1ccc(,2009
2064,2064,CN1CCN(C,2007
2065,2065,c3ccc(cc3)c4,2006
2066,2066,c2oc(nn,2003
2067,2067,\C=C\3/,2002
2068,2068,c2c1),2001
2069,2069,[nH]4,2000
2070,2070,NS(=O)(=O)c1ccc(,2000
2071,2071,c1ccc(cc1)C2=N,1996
2072,2072,nc(n2),1992
2073,2073,(O)C(=O),1992
2074,2074,Nc1cc(,1990
2075,2075,CC[C@H](C)[C@@H]1,1990
2076,2076,(N1,1990
2077,2077,ccc7,1986
2078,2078,C(=O)N[C@@H](Cc2ccccc2),1984
2079,2079,c2ncn,1983
2080,2080,CC(=CCC,1982
2081,2081,c1ccc2CC,1979
2082,2082,COP(=O)(O)O[C@H],1979
2083,2083,c3c([nH],1977
2084,2084,c2oc(,1976
2085,2085,[C@H](OC),1976
2086,2086,COc1ccc(CC,1976
2087,2087,Cc1cccc(C,1975
2088,2088,8),1974
2089,2089,(CC=C,1973
2090,2090,\N=C\2/,1971
2091,2091,FC(F)(F)C,1971
2092,2092,Clc1cccc(,1971
2093,2093,5CCCC5,1971
2094,2094,)c9,1970
2095,2095,(NC,1970
2096,2096,c4nc5ccccc5,1968
2097,2097,Oc1c(,1968
2098,2098,[nH]1,1966
2099,2099,NC(=O)CSC,1965
2100,2100,[C@H]5CC,1964
2101,2101,C[C@@H](CO),1963
2102,2102,1)c2ccccc2,1963
2103,2103,c4),1962
2104,2104,)C(F)(F)F)C(F)(F)F,1962
2105,2105,c4s,1959
2106,2106,NC(=O)c2cc3,1957
2107,2107,n2)c1,1955
2108,2108,cccs3,1954
2109,2109,c(nn,1953
2110,2110,[C@H](CC(=O)N,1953
2111,2111,[C@@]23,1953
2112,2112,ccc(Cl)c(Cl)c,1952
2113,2113,Cc1ccc(C)c(,1952
2114,2114,CCn1c(,1951
2115,2115,3CCOCC3),1950
2116,2116,O)C(=O)N,1947
2117,2117,cc(Cl)ccc2,1946
2118,2118,NC(=O)C=C,1946
2119,2119,(CC(=O)NC,1946
2120,2120,ccc4C,1943
2121,2121,cc(cn1)c2,1942
2122,2122,N2CCN(CC2)c3,1942
2123,2123,c14,1941
2124,2124,Cc1onc(C),1941
2125,2125,OC(C)C,1940
2126,2126,CC(C)C[C@@H]1,1939
2127,2127,c(C)c,1937
2128,2128,P(=O)(OCC,1937
2129,2129,C[C@H](C,1937
2130,2130,(C)(C)[C@@H]5CC[C@@]34C),1935
2131,2131,F)c2),1934
2132,2132,(=CC(=O)O,1934
2133,2133,c1csc(,1933
2134,2134,N(C)S(=O)(=O),1932
2135,2135,c2cc(O),1931
2136,2136,c1ccccc1)C(=O),1931
2137,2137,S1(=O)=O),1931
2138,2138,7)C,1930
2139,2139,c3ccccn3,1929
2140,2140,(C)C(=O)N,1927
2141,2141,C(F)(F)F),1922
2142,2142,C(N,1921
2143,2143,cc(C(=O),1920
2144,2144,ccnc(N,1913
2145,2145,c1ccc(cc1Cl,1910
2146,2146,[C@H](Cc3ccccc3),1908
2147,2147,nc(Cl),1905
2148,2148,c2ccc(cc2)c3ccccc3,1904
2149,2149,c4occc4,1540
2150,2150,[C@H](CC(C)C),1899
2151,2151,N[C@H](C,1898
2152,2152,3=,1897
2153,2153,CCCS,1896
2154,2154,3)C#N,1896
2155,2155,c(C)c1,1894
2156,2156,[C@@]7,1894
2157,2157,\C(=C/1,1893
2158,2158,\N=C\1/,1887
2159,2159,([H]),1885
2160,2160,c3c4,1884
2161,2161,=CC=CC,1883
2162,2162,COCCN1,1880
2163,2163,nc(C(=O)N,1879
2164,2164,c1ccc(C)cc1,1879
2165,2165,[C@@H]3O[C@H](C,1879
2166,2166,\C(=N/O)\,1877
2167,2167,1)\,1877
2168,2168,[nH]nc(,1876
2169,2169,Oc5,1874
2170,2170,4)cc3,1874
2171,2171,23,1874
2172,2172,c(C)c(,1873
2173,2173,c4cc(O),1872
2174,2174,CCS(=O)(=O)N,1872
2175,2175,\C(=C\CC,1871
2176,2176,OC)C(=O),1871
2177,2177,)C(=O)N[C@@H](CC(=O)N,1870
2178,2178,c4ccccc14,1868
2179,2179,ccc(F)cc5,1867
2180,2180,[C@@H]3CCCN3C(=O),1867
2181,2181,c1ncccc1,1866
2182,2182,cc(OC),1865
2183,2183,(c3ccccc3)c4ccccc4,1865
2184,2184,c3ccccc3)c2,1864
2185,2185,C(=O)N1CC,1864
2186,2186,n3cncn,1863
2187,2187,c(O)c(,1863
2188,2188,)C(F)(F)F)c2,1863
2189,2189,(Cl)ccc1,1863
2190,2190,nc13,1859
2191,2191,2CCCO,1859
2192,2192,c3ccccc3C(=O),1857
2193,2193,c2ccccc2)C(=O),1854
2194,2194,[C@H](CCCCN,1851
2195,2195,c4cc3,1850
2196,2196,)c4cccc,1850
2197,2197,)C(C)(C),1850
2198,2198,CCCC(C),1847
2199,2199,c1ccccc1CC,1846
2200,2200,nnn[nH],1845
2201,2201,cc1OC,1844
2202,2202,cc[nH],1843
2203,2203,[C@@]34C,1843
2204,2204,c2ccccc12)C(=O)N,1841
2205,2205,)c4ccc(Cl)cc,1841
2206,2206,c3ccccc3)C(=O),1839
2207,2207,CCC(CC1)c2,1839
2208,2208,5(CC,1839
2209,2209,[C@@H]1CC[C@H](CC,1838
2210,2210,=CC(=,1836
2211,2211,[C@H]2[C@@H]3,1835
2212,2212,[C@@]1(C),1835
2213,2213,COc1ccc(NC(=O),1834
2214,2214,c3cc(O),1833
2215,2215,c6ccccc6),1832
2216,2216,c2nc(cs,1830
2217,2217,c2cccs2),1830
2218,2218,S(=O)(=O)NC,1830
2219,2219,O=C(NC1,1828
2220,2220,3)[N+](=O)[O-],1828
2221,2221,.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F,1828
2222,2222,CC[C@@H](C),1827
2223,2223,c3ccc(N,1826
2224,2224,CCOCC,1826
2225,2225,O)[C@H](O)[C@H](O),1823
2226,2226,2)c4ccccc4,1823
2227,2227,COCCO,1822
2228,2228,N=N,1821
2229,2229,CC3,1821
2230,2230,nc(NCC,1819
2231,2231,NC(=O)[C@@H](N)CC,1819
2232,2232,5)c(,1819
2233,2233,B(O),1818
2234,2234,cncc,1817
2235,2235,Oc1ccc(C,1817
2236,2236,O3,1816
2237,2237,NC(=O)C2=C,1816
2238,2238,COc1ccc(cc1)C(=O)N,1814
2239,2239,c1ccc2c(c1),1813
2240,2240,2C(C,1813
2241,2241,CC(C)(C)OC(=O)N,1812
2242,2242,\C(=N\O)\,1811
2243,2243,Oc1ccc(cc1)c2,1811
2244,2244,nc(NC(=O),1810
2245,2245,c2C1=O),1808
2246,2246,F)ccc1,1804
2247,2247,CCN1CCN(CC,1804
2248,2248,4)C2=O,1803
2249,2249,CCCCCCCCC,1802
2250,2250,c2ccc(F)c(,1801
2251,2251,(C)C)C(=O)O,1800
2252,2252,3)O,1798
2253,2253,2)N3C,1797
2254,2254,2=NC,1794
2255,2255,N(C1=O),1793
2256,2256,)c4ccc(F)cc,1793
2257,2257,c3ccccc3)cc1,1792
2258,2258,CCCN(CCC,1792
2259,2259,c2cccc(c2)S(=O)(=O)N,1790
2260,2260,ccccc13,1788
2261,2261,n4)C,1787
2262,2262,5CCNCC,1786
2263,2263,c6ccc(cc,1785
2264,2264,O[C@H]3,1785
2265,2265,CN1CCC(CC1),1784
2266,2266,CC(C)[C@H](,1784
2267,2267,3CCCCCC,1781
2268,2268,cc(o,1780
2269,2269,c3cccc(C,1777
2270,2270,CCN(C(=O),1777
2271,2271,CC1(CC,1775
2272,2272,COc1n,1774
2273,2273,c3cccc(C)c3,1773
2274,2274,c2ccc(cc2C,1773
2275,2275,CNc1nc(,1773
2276,2276,)C1=O),1773
2277,2277,(F)F,1771
2278,2278,n5),1770
2279,2279,N)\,1770
2280,2280,2)c3ccc(Cl)cc3,1769
2281,2281,c1ccc(Cl)c,1763
2282,2282,[C@@]34,1763
2283,2283,Oc2ccccc2,1762
2284,2284,)cc12,1761
2285,2285,cc(Cl)ccc4,1758
2286,2286,NC(=O)[C@H](Cc3ccccc3),1755
2287,2287,4)c,1755
2288,2288,CC(C)(O),1750
2289,2289,4CC5CC(CC(C,1749
2290,2290,c3cs,1746
2291,2291,COc1ccc(Cl)cc1,1745
2292,2292,1=CN(C,1745
2293,2293,)ccc1,1744
2294,2294,nc([nH],1742
2295,2295,1)C(=O)O,1741
2296,2296,[C@@](O)(C,1740
2297,2297,)c(c2,1740
2298,2298,NC(=O)C)C,1739
2299,2299,c3ccccc3c2,1737
2300,2300,c5ccncc,1736
2301,2301,CC1=CN(,1736
2302,2302,3(CC2),1736
2303,2303,c4cccc(F)c4,1735
2304,2304,[C@]3(C)CC,1735
2305,2305,N1C[C@@H](C),1734
2306,2306,Oc1ccc(cc1),1730
2307,2307,1CCN(CC1)C(=O),1730
2308,2308,n23,1729
2309,2309,ccc(Cl)cc3,1729
2310,2310,COC(=O)N1,1728
2311,2311,CCCC(C,1727
2312,2312,c3ccccn3),1726
2313,2313,Cn1cc(,1726
2314,2314,[N+](=O)[O-])cc1,1725
2315,2315,N=C(S)N,1723
2316,2316,\C=C\C=C\,1722
2317,2317,2)C(=O)NC1=O,1720
2318,2318,NC(=O)c3cc(,1719
2319,2319,[C@@]4(C)CC,1718
2320,2320,CCOC,1718
2321,2321,c1C#N,1717
2322,2322,CN(CCC,1717
2323,2323,4CC5CC(CC(C5)C,1717
2324,2324,S2(=O)=O),1716
2325,2325,Oc2cc(,1714
2326,2326,1=,1712
2327,2327,c1ccccc1)c2ccccc,1711
2328,2328,CC(NC(=O),1709
2329,2329,[C@@H](O)[C@@H](O[C@@H],1708
2330,2330,c2ccc3OCCO,1707
2331,2331,(=O)N(C,1707
2332,2332,ccccc23,1706
2333,2333,C(=O)NCCC,1705
2334,2334,OCC=C,1703
2335,2335,)C(=O)N[C@@H](C),1703
2336,2336,c(Cl)cc(Cl)cc,1702
2337,2337,)c23,1701
2338,2338,2(C,1696
2339,2339,OS(=O)(=O)O),1695
2340,2340,NC(=O)NCC,1694
2341,2341,C(=O)N2CC,1692
2342,2342,c4cc(Cl),1691
2343,2343,)C(=O)N[C@@H](CO),1690
2344,2344,c1ccc(N,1689
2345,2345,[C@@]3(C,1688
2346,2346,C(=O)N[C@@H](C(C)C)C(=O)N,1688
2347,2347,4CCC(CC,1688
2348,2348,3CCNCC,1688
2349,2349,(Cc2ccccc2),1688
2350,2350,n2)C(=O)N,1687
2351,2351,c5ccc(cc5,1687
2352,2352,c5cccc(c5,1686
2353,2353,c3c[nH]c4ccccc34),1685
2354,2354,OC(=O)[C@H](C,1684
2355,2355,3=C(,1683
2356,2356,Cc1cccc(c1,1682
2357,2357,5=O,1682
2358,2358,2)[N+](=O)[O-],1682
2359,2359,c1cccc2ccccc1,1679
2360,2360,2CC(=N,1678
2361,2361,c3ccccc3C2=O,1677
2362,2362,CCS(=O)(=O),1676
2363,2363,O[C@H]4,1674
2364,2364,=C1),1674
2365,2365,cc(Cl)cc,1673
2366,2366,CN3C,1673
2367,2367,[C@@H](CCC,1672
2368,2368,c3cccs3),1671
2369,2369,c2ccc(NC(=O)C,1671
2370,2370,c3occc3),1670
2371,2371,c%12,1669
2372,2372,4)CC2,1668
2373,2373,cnc3,1667
2374,2374,)C(C)(C)C,1667
2375,2375,nc2ccccc1,1666
2376,2376,)c2C1=O,1665
2377,2377,c3c(F)cccc3,1664
2378,2378,nn(C,1662
2379,2379,Cc1c(C,1661
2380,2380,c2ccc(C)cc2,1538
2381,2381,3CCN(CC3)c4,1660
2382,2382,CC(=C),1659
2383,2383,c2c(C1),1654
2384,2384,ccc(cc3,1653
2385,2385,Cc1ccc(cc1)S(=O)(=O),1653
2386,2386,c3ccc4ccccc4c3,1652
2387,2387,CCC4,1650
2388,2388,CN2CCC,1649
2389,2389,1CCC[C@H]1,1649
2390,2390,cc(OC)c(OC,1648
2391,2391,CCN(CC)C,1648
2392,2392,c2cccs2,1647
2393,2393,c2ccccc2)c(,1646
2394,2394,[C@@H]4CCCN4C(=O),1646
2395,2395,[C@@H](CO,1646
2396,2396,4)CC1,1646
2397,2397,cn1)c2,1645
2398,2398,c3ccc(O,1645
2399,2399,OC[C@H]1O[C@H](,1644
2400,2400,c4ccccc4c3,1642
2401,2401,c1cc(cc(c1,1642
2402,2402,C(=O)N(C)C,1640
2403,2403,c1nn(,1639
2404,2404,=C(C(=O)NC,1638
2405,2405,O)c(OC,1637
2406,2406,CCOC(=O)C1=C(C),1637
2407,2407,c3ncc(,1634
2408,2408,c3ccc(cc3)C(=O)N,1633
2409,2409,c1oc(C,1632
2410,2410,N)c3,1631
2411,2411,2)n1,1631
2412,2412,c(O,1630
2413,2413,[C@H](CCCNC(=N)N),1630
2414,2414,3)c4ccc(Cl)cc4,1630
2415,2415,CN(C(=O)O,1629
2416,2416,CC1=C(,1626
2417,2417,c6ccc(O)cc,1624
2418,2418,CCOc1ccc(C,1624
2419,2419,I),1623
2420,2420,c3C(=O),1622
2421,2421,c2c1)N,1622
2422,2422,nc(nc3,1620
2423,2423,NC(=O)CCC,1620
2424,2424,9C,1620
2425,2425,NC(=O)O,1619
2426,2426,CC[C@H](C)[C@H](NC(=O),1619
2427,2427,[C@H](NC(=O)[C@H](Cc1ccccc1),1618
2428,2428,c3ccc(F)c(,1617
2429,2429,\N=C(\,1617
2430,2430,3CCC(C,1616
2431,2431,F)ccc2,1615
2432,2432,C[C@]12CC[C@H]3[C@@H](CC,1615
2433,2433,4)c5cccc,1615
2434,2434,CCCCN1C(=O),1614
2435,2435,CCc1cc(,1614
2436,2436,c1c[nH]cn1),1613
2437,2437,1CCN(CC1)c2,1613
2438,2438,cn[nH],1610
2439,2439,CC(=O)N1CC,1610
2440,2440,n1)C2,1609
2441,2441,CCCO,1609
2442,2442,c1ccc(NC(=O)N,1608
2443,2443,cc3C,1607
2444,2444,c3ccc(NC(=O),1604
2445,2445,(C)(C)O,1604
2446,2446,4)cc2,1602
2447,2447,(F)(F)C(F)(F)C,1602
2448,2448,[C@H](N(C,1600
2449,2449,CN=C(,1599
2450,2450,C(CC,1599
2451,2451,5)c1,1598
2452,2452,c1ccc2OCO,1597
2453,2453,[C@H]2O,1597
2454,2454,C=,1597
2455,2455,c2ccc(Cl)c(,1596
2456,2456,CC1CCN(CC,1596
2457,2457,4CCOCC4),1595
2458,2458,n2cc(,1594
2459,2459,5)c3,1594
2460,2460,2)c5,1594
2461,2461,[n+](CC,1593
2462,2462,NC(=O)c2ccc3,1589
2463,2463,CC1(C)CCC,1589
2464,2464,ccc(Br)cc,1587
2465,2465,S(=O)(=O)O),1585
2466,2466,n2ccc3,1584
2467,2467,Cc1cc(ccc1,1584
2468,2468,N(C)C(=O)C,1583
2469,2469,CC1=O,1583
2470,2470,3(C,1583
2471,2471,1)O,1583
2472,2472,5CCN(C)CC,1582
2473,2473,(CC2=O),1582
2474,2474,nc(nc1,1581
2475,2475,c2c([nH],1581
2476,2476,c12)c3,1581
2477,2477,2CO,1581
2478,2478,OC(CO)C,1580
2479,2479,(OC(=O),1580
2480,2480,c4c(C),1579
2481,2481,Br)cc(,1579
2482,2482,[C@]6(C),1578
2483,2483,Nc2nc(N,1575
2484,2484,)C4,1575
2485,2485,c3ccc(O)cc3,1573
2486,2486,NC1=,1573
2487,2487,c2ccc3C,1572
2488,2488,(C)C)c3,1572
2489,2489,ccc2Cl,1571
2490,2490,O=C1N,1571
2491,2491,3)c4ccc(F)cc4,1571
2492,2492,(C)(C)O),1571
2493,2493,CC[C@@H]1,1570
2494,2494,c4c(O),1569
2495,2495,c12)C,1569
2496,2496,C(=O)O.,1569
2497,2497,[C@H](O[C@H],1568
2498,2498,OCCOCCOCCOCC,1568
2499,2499,)cc2C,1568
2500,2500,c4ccc(O)cc4),1566
2501,2501,ccc(F)cc3,1565
2502,2502,4)c5ccc(cc,1565
2503,2503,[C@@](C)(O),1564
2504,2504,c3ccncc3,1563
2505,2505,[C@](C)(O)C,1562
2506,2506,O=C(CS,1561
2507,2507,c2cc(OC)c(OC)c(OC,1560
2508,2508,c4c5,1558
2509,2509,onc2,1556
2510,2510,3)CC1,1556
2511,2511,CCCCCCCCCCCCCC,1555
2512,2512,(NC(=O)N,1555
2513,2513,sc2c1,1554
2514,2514,\C1=O,1553
2515,2515,COc1cc(OC)cc(c1,1553
2516,2516,[1,1552
2517,2517,OC(=O)c1cc(,1552
2518,2518,)C2=O)cc1,1551
2519,2519,)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC,1551
2520,2520,(N(C,1551
2521,2521,OC4,1550
2522,2522,c4c(C,1549
2523,2523,nnc3,1548
2524,2524,[Se],1548
2525,2525,P(=O)(S),1548
2526,2526,)cc1O,1548
2527,2527,ncnc2,1547
2528,2528,nn4,1546
2529,2529,C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N),1545
2530,2530,ccncc3,1544
2531,2531,c4ccc(Cl)cc4),1544
2532,2532,[C@H](NC,1544
2533,2533,Oc1ccc(cc1,1544
2534,2534,CCN(C1)c2,1543
2535,2535,2C(=O)N,1543
2536,2536,c1)[N+](=O)[O-],1542
2537,2537,N1CCCC,1540
2538,2538,OC(=O)C(=C,1539
2539,2539,CC1CN(CC,1538
2540,2540,OC(=CC(=O),1537
2541,2541,O=C1CC,1537
2542,2542,c2)C(=O)N,1536
2543,2543,3)C2,1536
2544,2544,\C=C/C\C=C/C,1535
2545,2545,CC1)c2,1535
2546,2546,occc3,1534
2547,2547,NC1=O)C,1533
2548,2548,c3ccc(OC)c(OC,1531
2549,2549,[C@H](OC(=O)C,1531
2550,2550,=C(C)C),1530
2551,2551,c4cc(C),1529
2552,2552,)C(=O)N[C@@H](CCC(=O)O),1529
2553,2553,Cl)CCC,1528
2554,2554,ccc(Cl)c,1527
2555,2555,Nc2nccc(,1526
2556,2556,(Cl)c2),1526
2557,2557,4CCCO,1525
2558,2558,nc3c(,1524
2559,2559,c3ccnc4,1524
2560,2560,c2c(F)cc,1524
2561,2561,2CCC(C,1523
2562,2562,c2cs,1522
2563,2563,NC(=O)CCCC,1521
2564,2564,(O)CO,1521
2565,2565,%14,1521
2566,2566,CCc1ccccc1,1520
2567,2567,OC(=O)c1ccccc1,1519
2568,2568,1=C(O),1519
2569,2569,O[C@@H]5,1518
2570,2570,nc(nc2,1516
2571,2571,S(=O)(=O)C),1516
2572,2572,N4CCC,1516
2573,2573,4CCCCC4),1516
2574,2574,5)C#N,1515
2575,2575,)N(C,1513
2576,2576,NC(=O)[C@H](CCC(=O)N)NC(=O),1509
2577,2577,[C@]2(C,1508
2578,2578,c(Cl)c(,1507
2579,2579,c4ccc(F)cc4),1505
2580,2580,)N2C,1505
2581,2581,C(=O)NCCCC,1504
2582,2582,NC(=N)NCCC,1503
2583,2583,2=C1C,1503
2584,2584,ccc(Cl)cc5,1502
2585,2585,)c(O)c1,1501