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/data/ecfp.sdf

http://github.com/rajarshi/cdkr
Unknown | 1487 lines | 1367 code | 120 blank | 0 comment | 0 complexity | 9f55648f51592d55e01d4892ab6bdea4 MD5 | raw file
  1. SciTegic10131016582D
  2. 34 36 0 0 0 0 999 V2000
  3. -4.6625 -1.9250 0.0000 N 0 0
  4. 3.3375 2.6917 0.0000 C 0 0
  5. -3.3250 -2.6917 0.0000 C 0 0
  6. -4.6625 -0.3875 0.0000 C 0 0
  7. 2.0042 1.9208 0.0000 N 0 0
  8. -2.0000 -0.3875 0.0000 C 0 0
  9. -6.0000 0.3833 0.0000 C 0 0
  10. -3.3250 -4.2333 0.0000 C 0 0
  11. -0.6667 0.3833 0.0000 S 0 0
  12. -2.0000 -1.9250 0.0000 C 0 0
  13. -3.3250 0.3833 0.0000 C 0 0
  14. 1.9958 0.3833 0.0000 C 0 0
  15. 0.6625 -0.3875 0.0000 C 0 0
  16. 4.6583 1.9208 0.0000 N 0 0
  17. 3.3375 4.2250 0.0000 O 0 0
  18. -6.0000 1.9292 0.0000 O 0 0
  19. -4.6542 -5.0000 0.0000 O 0 0
  20. 5.9917 2.6958 0.0000 C 0 0
  21. -1.9917 -5.0000 0.0000 O 0 0
  22. -7.3250 -0.3875 0.0000 O 0 0
  23. 8.6542 4.2333 0.0000 C 0 0
  24. 7.3250 1.9292 0.0000 C 0 0
  25. 5.9917 4.2333 0.0000 C 0 0
  26. 8.6542 2.6958 0.0000 C 0 0
  27. 7.3250 5.0000 0.0000 C 0 0
  28. 3.3292 -0.3958 0.0000 C 0 0
  29. 0.6625 -1.9250 0.0000 C 0 0
  30. -0.6583 -4.2250 0.0000 C 0 0
  31. -8.6542 0.3917 0.0000 C 0 0
  32. 9.9875 5.0000 0.0000 C 0 0
  33. 0.6792 -4.9917 0.0000 C 0 0
  34. -9.9875 -0.3792 0.0000 C 0 0
  35. 1.9958 -2.7000 0.0000 C 0 0
  36. 3.3292 -1.9333 0.0000 C 0 0
  37. 2 5 1 0
  38. 3 1 1 0
  39. 4 1 2 0
  40. 5 12 1 0
  41. 6 11 2 0
  42. 7 4 1 0
  43. 8 3 1 0
  44. 9 6 1 0
  45. 10 3 2 0
  46. 11 4 1 0
  47. 12 13 1 0
  48. 13 9 1 0
  49. 14 2 1 0
  50. 15 2 2 0
  51. 16 7 2 0
  52. 17 8 2 0
  53. 18 14 1 0
  54. 19 8 1 0
  55. 20 7 1 0
  56. 21 25 1 0
  57. 22 18 2 0
  58. 23 18 1 0
  59. 24 22 1 0
  60. 25 23 2 0
  61. 26 12 2 0
  62. 27 13 2 0
  63. 28 19 1 0
  64. 29 20 1 0
  65. 30 21 1 0
  66. 31 28 1 0
  67. 32 29 1 0
  68. 33 27 1 0
  69. 34 33 2 0
  70. 10 6 1 0
  71. 26 34 1 0
  72. 24 21 2 0
  73. M END
  74. > <CODE>
  75. SPB 07552
  76. > <IUPAC_NAME>
  77. diethyl 4-({2-[(4-toluidinocarbonyl)amino]phenyl}thio)pyridine-2,6-dicarbox ylate
  78. > <price1>
  79. 1..........................18.00
  80. > <price2>
  81. 100......................12.50
  82. > <price3>
  83. 1,000...................11.30
  84. > <price4>
  85. 10,000...................8.00
  86. > <price5>
  87. 45,000...................6.00
  88. > <price6>
  89. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  90. > <cmpdinfo>
  91. No. of cmpds Ł/1mg cmpd
  92. > <FCFP_6>
  93. 17
  94. 0
  95. 16
  96. 3
  97. 1
  98. 1747237384
  99. 1499521844
  100. -1539132615
  101. 1294255210
  102. 332760439
  103. -1549163031
  104. 1035613116
  105. 1618154665
  106. 590925877
  107. 1872154524
  108. -1143715940
  109. 203677720
  110. -1272768868
  111. 136120670
  112. 136597326
  113. -1460348762
  114. -1262922302
  115. -1201618245
  116. -402549409
  117. -1270820019
  118. 929601590
  119. -1597477966
  120. -1274743746
  121. -1155471474
  122. 1258428229
  123. -1838187238
  124. -798628285
  125. -1773728142
  126. -773983804
  127. -453677277
  128. 1674451008
  129. 65948508
  130. 991735244
  131. -1412946825
  132. 846704869
  133. -2103621484
  134. -886204842
  135. 1725648567
  136. -353343892
  137. -585443181
  138. -533273616
  139. 2031084733
  140. -801248129
  141. 1752802620
  142. -976015189
  143. -992213424
  144. 2109043264
  145. -790336137
  146. 630139722
  147. -505031736
  148. -1427697183
  149. -2090462286
  150. -1724769936
  151. $$$$
  152. SciTegic10131016582D
  153. 18 19 0 0 0 0 999 V2000
  154. -3.3333 0.0000 0.0000 C 0 0
  155. 5.9875 -0.7625 0.0000 N 0 0
  156. -3.3333 -1.5375 0.0000 C 0 0
  157. -4.6542 0.7708 0.0000 C 0 0
  158. -2.0000 0.7667 0.0000 O 0 0
  159. 4.6542 -1.5333 0.0000 C 0 0
  160. -5.9917 -1.5375 0.0000 N 0 0
  161. -0.6667 0.0000 0.0000 C 0 0
  162. -2.0000 -2.3042 0.0000 Cl 0 0
  163. -4.6542 2.3125 0.0000 Cl 0 0
  164. -5.9917 0.0000 0.0000 C 0 0
  165. -4.6542 -2.3083 0.0000 C 0 0
  166. 1.9875 -1.5375 0.0000 C 0 0
  167. -0.6667 -1.5375 0.0000 C 0 0
  168. 0.6667 0.7708 0.0000 C 0 0
  169. 1.9875 0.0000 0.0000 C 0 0
  170. 0.6667 -2.3083 0.0000 C 0 0
  171. 3.3250 -2.3042 0.0000 C 0 0
  172. 2 6 3 0
  173. 3 1 1 0
  174. 4 1 2 0
  175. 5 1 1 0
  176. 6 18 1 0
  177. 7 11 2 0
  178. 8 5 1 0
  179. 9 3 1 0
  180. 10 4 1 0
  181. 11 4 1 0
  182. 12 3 2 0
  183. 13 16 1 0
  184. 14 8 2 0
  185. 15 8 1 0
  186. 16 15 2 0
  187. 17 14 1 0
  188. 18 13 1 0
  189. 12 7 1 0
  190. 17 13 2 0
  191. M END
  192. > <CODE>
  193. SPB 07553
  194. > <IUPAC_NAME>
  195. 2-{4-[(3,5-dichloro-4-pyridyl)oxy]phenyl}acetonitrile
  196. > <price1>
  197. 1..........................18.00
  198. > <price2>
  199. 100......................12.50
  200. > <price3>
  201. 1,000...................11.30
  202. > <price4>
  203. 10,000...................8.00
  204. > <price5>
  205. 45,000...................6.00
  206. > <price6>
  207. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  208. > <cmpdinfo>
  209. No. of cmpds Ł/1mg cmpd
  210. > <FCFP_6>
  211. 16
  212. 9
  213. 1
  214. 0
  215. 17
  216. 32
  217. 332760439
  218. -1362791977
  219. 367998008
  220. 1035613116
  221. -1277879912
  222. 1747237384
  223. 71476542
  224. -124655670
  225. 203677720
  226. 1618154665
  227. 907007053
  228. -1707366455
  229. 1969481564
  230. -1597477966
  231. 1966552162
  232. 547884906
  233. -1270820019
  234. -2135641502
  235. -497728148
  236. 1674451008
  237. -453677277
  238. -2005085798
  239. 2047992816
  240. 786486417
  241. 1523337873
  242. -2045753164
  243. 859018953
  244. 404853571
  245. 1383886699
  246. -745001879
  247. 1985089045
  248. -1445962196
  249. $$$$
  250. SciTegic10131016582D
  251. 20 21 0 0 0 0 999 V2000
  252. -3.3375 0.0000 0.0000 C 0 0
  253. -3.3375 -1.5375 0.0000 C 0 0
  254. -4.6583 0.7708 0.0000 C 0 0
  255. -2.0000 0.7667 0.0000 O 0 0
  256. 4.6542 -1.5333 0.0000 C 0 0
  257. -5.9958 -1.5375 0.0000 N 0 0
  258. 4.6542 0.0083 0.0000 N 0 0
  259. -0.6667 0.0000 0.0000 C 0 0
  260. 3.3250 -2.3042 0.0000 C 0 0
  261. 5.9917 -2.3000 0.0000 N 0 0
  262. -4.6583 2.3125 0.0000 Cl 0 0
  263. -2.0000 -2.3042 0.0000 Cl 0 0
  264. 1.9917 -1.5375 0.0000 C 0 0
  265. -5.9958 0.0000 0.0000 C 0 0
  266. -4.6583 -2.3083 0.0000 C 0 0
  267. 5.9875 0.7792 0.0000 O 0 0
  268. -0.6667 -1.5375 0.0000 C 0 0
  269. 0.6625 0.7708 0.0000 C 0 0
  270. 1.9917 0.0000 0.0000 C 0 0
  271. 0.6625 -2.3083 0.0000 C 0 0
  272. 2 1 1 0
  273. 3 1 2 0
  274. 4 1 1 0
  275. 5 9 1 0
  276. 6 14 2 0
  277. 7 5 2 0
  278. 8 4 1 0
  279. 9 13 1 0
  280. 10 5 1 0
  281. 11 3 1 0
  282. 12 2 1 0
  283. 13 19 1 0
  284. 14 3 1 0
  285. 15 2 2 0
  286. 16 7 1 0
  287. 17 8 2 0
  288. 18 8 1 0
  289. 19 18 2 0
  290. 20 17 1 0
  291. 15 6 1 0
  292. 20 13 2 0
  293. M END
  294. > <CODE>
  295. SPB 07554
  296. > <IUPAC_NAME>
  297. 2-{4-[(3,5-dichloropyridin-4-yl)oxy]phenyl}-N'-hydroxyethanimidamide
  298. > <price1>
  299. 1..........................18.00
  300. > <price2>
  301. 100......................12.50
  302. > <price3>
  303. 1,000...................11.30
  304. > <price4>
  305. 10,000...................8.00
  306. > <price5>
  307. 45,000...................6.00
  308. > <price6>
  309. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  310. > <cmpdinfo>
  311. No. of cmpds Ł/1mg cmpd
  312. > <FCFP_6>
  313. 16
  314. 1
  315. 0
  316. 17
  317. 3
  318. 32
  319. 7
  320. 332760439
  321. 367998008
  322. 1035613116
  323. 566058135
  324. 1747237384
  325. 580900652
  326. 907007053
  327. 1070061035
  328. 71476542
  329. 203677720
  330. -124655670
  331. -548602426
  332. 1618154665
  333. -1707366455
  334. 1969481564
  335. -1597477966
  336. -881072729
  337. 547884906
  338. -1564724132
  339. -1270820019
  340. -2004812302
  341. -497728148
  342. -2135641502
  343. 1674451008
  344. -453677277
  345. 2047992816
  346. 786486417
  347. 1523337873
  348. 242457334
  349. -2045753164
  350. 859018953
  351. 265023308
  352. 1381300059
  353. 404853571
  354. -745001879
  355. 1985089045
  356. $$$$
  357. SciTegic10131016582D
  358. 30 32 0 0 0 0 999 V2000
  359. -4.0708 0.3667 0.0000 C 0 0
  360. -6.7375 -2.7125 0.0000 N 0 3
  361. -2.7458 -0.3958 0.0000 C 0 0
  362. -5.4042 -1.9458 0.0000 C 0 0
  363. -4.0708 1.9042 0.0000 C 0 0
  364. -5.4042 -0.3958 0.0000 C 0 0
  365. 2.7417 2.7250 0.0000 C 0 0
  366. -2.7458 -1.9458 0.0000 N 0 0
  367. -1.4125 0.3667 0.0000 S 0 0
  368. 1.4083 1.9500 0.0000 N 0 0
  369. 1.4083 0.4125 0.0000 C 0 0
  370. 0.0750 -0.3625 0.0000 C 0 0
  371. -4.0708 -2.7125 0.0000 C 0 0
  372. -8.0708 -1.9458 0.0000 O 0 5
  373. 4.0708 1.9500 0.0000 C 0 0
  374. -6.7375 -4.2542 0.0000 O 0 0
  375. 2.7417 4.2542 0.0000 O 0 0
  376. -5.3208 2.9292 0.0000 F 0 0
  377. -4.0708 3.3083 0.0000 F 0 0
  378. -2.8208 2.9250 0.0000 F 0 0
  379. 4.0708 0.4125 0.0000 C 0 0
  380. 5.4125 2.7250 0.0000 C 0 0
  381. 6.7375 0.4125 0.0000 C 0 0
  382. 6.7375 1.9500 0.0000 C 0 0
  383. 5.4125 -0.3625 0.0000 C 0 0
  384. 8.0708 -0.3583 0.0000 Cl 0 0
  385. 2.7292 -0.3625 0.0000 C 0 0
  386. 0.0750 -1.8958 0.0000 C 0 0
  387. 1.4083 -2.6708 0.0000 C 0 0
  388. 2.7292 -1.8958 0.0000 C 0 0
  389. 2 4 1 0
  390. 3 1 2 0
  391. 4 6 2 0
  392. 5 1 1 0
  393. 6 1 1 0
  394. 7 10 1 0
  395. 8 3 1 0
  396. 9 3 1 0
  397. 10 11 1 0
  398. 11 12 1 0
  399. 12 9 1 0
  400. 13 4 1 0
  401. 14 2 1 0
  402. 15 7 1 0
  403. 16 2 2 0
  404. 17 7 2 0
  405. 18 5 1 0
  406. 19 5 1 0
  407. 20 5 1 0
  408. 21 15 2 0
  409. 22 15 1 0
  410. 23 24 1 0
  411. 24 22 2 0
  412. 25 21 1 0
  413. 26 23 1 0
  414. 27 11 2 0
  415. 28 12 2 0
  416. 29 28 1 0
  417. 30 29 2 0
  418. 8 13 2 0
  419. 27 30 1 0
  420. 25 23 2 0
  421. M CHG 2 2 1 14 -1
  422. M END
  423. > <CODE>
  424. SPB 07560
  425. > <IUPAC_NAME>
  426. N1-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}phenyl)-4-chlorobenzamid e
  427. > <price1>
  428. 1..........................18.00
  429. > <price2>
  430. 100......................12.50
  431. > <price3>
  432. 1,000...................11.30
  433. > <price4>
  434. 10,000...................8.00
  435. > <price5>
  436. 45,000...................6.00
  437. > <price6>
  438. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  439. > <cmpdinfo>
  440. No. of cmpds Ł/1mg cmpd
  441. > <FCFP_6>
  442. 16
  443. 8
  444. 0
  445. 17
  446. 1
  447. 3
  448. 5
  449. 32
  450. 203677720
  451. -1338588315
  452. -1410049896
  453. -828984032
  454. -1029533685
  455. 1618154665
  456. -1549103449
  457. 1747237384
  458. 1035613116
  459. 1294255210
  460. 590925877
  461. 332760439
  462. -124655670
  463. 260476081
  464. 1872392852
  465. 1872154524
  466. 71953198
  467. 367998008
  468. 71476542
  469. 134603128
  470. 1579401580
  471. -1641408229
  472. 1997806766
  473. 192331578
  474. -98859492
  475. -1925475824
  476. 885225145
  477. -1598679931
  478. 1175232969
  479. -1155471474
  480. 1258428229
  481. 1506190109
  482. -581879738
  483. -453677277
  484. -745491832
  485. 551850122
  486. -773983804
  487. 1674451008
  488. 991735244
  489. 689610531
  490. -888075169
  491. 650647287
  492. -1799143719
  493. 241406177
  494. 1119771930
  495. -1139544385
  496. 1139671217
  497. 2111406068
  498. -800045143
  499. -10819545
  500. 384221478
  501. -1206981816
  502. -1508180856
  503. -149636017
  504. -505031736
  505. -1427697183
  506. -2090462286
  507. -1724769936
  508. $$$$
  509. SciTegic10131016582D
  510. 29 31 0 0 0 0 999 V2000
  511. -3.4083 0.3667 0.0000 C 0 0
  512. -6.0625 -2.7125 0.0000 N 0 3
  513. -2.0750 -0.4042 0.0000 C 0 0
  514. -4.7417 -1.9417 0.0000 C 0 0
  515. -3.3958 1.9042 0.0000 C 0 0
  516. -4.7417 -0.4042 0.0000 C 0 0
  517. 3.4083 2.7208 0.0000 C 0 0
  518. -2.0750 -1.9417 0.0000 N 0 0
  519. -0.7417 0.3667 0.0000 S 0 0
  520. 2.0750 1.9583 0.0000 N 0 0
  521. 2.0750 0.4125 0.0000 C 0 0
  522. 0.7375 -0.3625 0.0000 C 0 0
  523. -3.4083 -2.7125 0.0000 C 0 0
  524. -7.3958 -1.9417 0.0000 O 0 5
  525. -6.0625 -4.2500 0.0000 O 0 0
  526. 3.4167 4.2500 0.0000 O 0 0
  527. 4.7375 1.9583 0.0000 C 0 0
  528. -2.1458 2.9208 0.0000 F 0 0
  529. -4.6417 2.9250 0.0000 F 0 0
  530. -3.3958 3.3083 0.0000 F 0 0
  531. 3.4000 -0.3625 0.0000 C 0 0
  532. 0.7375 -1.9000 0.0000 C 0 0
  533. 6.0708 2.7208 0.0000 C 0 0
  534. 4.7375 0.4125 0.0000 C 0 0
  535. 2.0750 -2.6708 0.0000 C 0 0
  536. 3.4000 -1.9000 0.0000 C 0 0
  537. 7.3958 1.9583 0.0000 C 0 0
  538. 6.0708 -0.3625 0.0000 C 0 0
  539. 7.3958 0.4125 0.0000 C 0 0
  540. 2 4 1 0
  541. 3 1 2 0
  542. 4 6 2 0
  543. 5 1 1 0
  544. 6 1 1 0
  545. 7 10 1 0
  546. 8 3 1 0
  547. 9 3 1 0
  548. 10 11 1 0
  549. 11 12 1 0
  550. 12 9 1 0
  551. 13 4 1 0
  552. 14 2 1 0
  553. 15 2 2 0
  554. 16 7 2 0
  555. 17 7 1 0
  556. 18 5 1 0
  557. 19 5 1 0
  558. 20 5 1 0
  559. 21 11 2 0
  560. 22 12 2 0
  561. 23 17 1 0
  562. 24 17 2 0
  563. 25 22 1 0
  564. 26 25 2 0
  565. 27 23 2 0
  566. 28 24 1 0
  567. 29 28 2 0
  568. 8 13 2 0
  569. 21 26 1 0
  570. 27 29 1 0
  571. M CHG 2 2 1 14 -1
  572. M END
  573. > <CODE>
  574. SPB 07561
  575. > <IUPAC_NAME>
  576. N1-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}phenyl)benzamide
  577. > <price1>
  578. 1..........................18.00
  579. > <price2>
  580. 100......................12.50
  581. > <price3>
  582. 1,000...................11.30
  583. > <price4>
  584. 10,000...................8.00
  585. > <price5>
  586. 45,000...................6.00
  587. > <price6>
  588. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  589. > <cmpdinfo>
  590. No. of cmpds Ł/1mg cmpd
  591. > <FCFP_6>
  592. 16
  593. 8
  594. 0
  595. 17
  596. 1
  597. 3
  598. 5
  599. 32
  600. 203677720
  601. -1338588315
  602. -1410049896
  603. -828984032
  604. -1029533685
  605. 1618154665
  606. -1549103449
  607. 1747237384
  608. 1035613116
  609. 1294255210
  610. 590925877
  611. 332760439
  612. -124655670
  613. 260476081
  614. 1872392852
  615. 1872154524
  616. 71953198
  617. 134603128
  618. 1579401580
  619. -1641408229
  620. 1997806766
  621. 192331578
  622. -98859492
  623. -1925475824
  624. 885225145
  625. -1598679931
  626. 1175232969
  627. -1155471474
  628. 1258428229
  629. 1506190109
  630. -581879738
  631. -773983804
  632. 1674451008
  633. -453677277
  634. 991735244
  635. 689610531
  636. -888075169
  637. 650647287
  638. -1799143719
  639. 241406177
  640. 1119771930
  641. -1139544385
  642. 1139671217
  643. 2111406068
  644. -800045143
  645. -10819545
  646. 384221478
  647. -505031736
  648. -1427697183
  649. -1205069278
  650. -2090462286
  651. -1724769936
  652. -1698724694
  653. -2093839777
  654. $$$$
  655. SciTegic10131016582D
  656. 33 35 0 0 0 0 999 V2000
  657. -4.6500 0.3667 0.0000 C 0 0
  658. -7.3125 -2.7083 0.0000 N 0 3
  659. -3.3250 -0.4042 0.0000 C 0 0
  660. -5.9917 -1.9417 0.0000 C 0 0
  661. -4.6500 1.9042 0.0000 C 0 0
  662. -5.9917 -0.4042 0.0000 C 0 0
  663. 2.1583 2.7208 0.0000 C 0 0
  664. -3.3250 -1.9417 0.0000 N 0 0
  665. -1.9917 0.3667 0.0000 S 0 0
  666. 0.8292 1.9583 0.0000 N 0 0
  667. 0.8208 0.4083 0.0000 C 0 0
  668. -0.5083 -0.3625 0.0000 C 0 0
  669. -4.6500 -2.7083 0.0000 C 0 0
  670. -8.6458 -1.9417 0.0000 O 0 5
  671. 3.4833 1.9583 0.0000 C 0 0
  672. -7.3125 -4.2542 0.0000 O 0 0
  673. 7.4792 -0.3542 0.0000 C 0 0
  674. 6.1458 0.4083 0.0000 C 0 0
  675. 2.1583 4.2542 0.0000 O 0 0
  676. -5.8958 2.9333 0.0000 F 0 0
  677. -4.6500 3.3042 0.0000 F 0 0
  678. -3.4000 2.9167 0.0000 F 0 0
  679. 3.4833 0.4083 0.0000 C 0 0
  680. 4.8208 2.7208 0.0000 C 0 0
  681. 4.8208 -0.3625 0.0000 C 0 0
  682. 6.1458 1.9583 0.0000 C 0 0
  683. 2.1458 -0.3625 0.0000 C 0 0
  684. -0.5083 -1.9000 0.0000 C 0 0
  685. 8.6458 -1.2250 0.0000 C 0 0
  686. 7.3750 -1.9250 0.0000 C 0 0
  687. 8.3917 0.9417 0.0000 C 0 0
  688. 2.1458 -1.9000 0.0000 C 0 0
  689. 0.8208 -2.6667 0.0000 C 0 0
  690. 2 4 1 0
  691. 3 1 2 0
  692. 4 6 2 0
  693. 5 1 1 0
  694. 6 1 1 0
  695. 7 10 1 0
  696. 8 3 1 0
  697. 9 3 1 0
  698. 10 11 1 0
  699. 11 12 1 0
  700. 12 9 1 0
  701. 13 4 1 0
  702. 14 2 1 0
  703. 15 7 1 0
  704. 16 2 2 0
  705. 17 18 1 0
  706. 18 26 1 0
  707. 19 7 2 0
  708. 20 5 1 0
  709. 21 5 1 0
  710. 22 5 1 0
  711. 23 15 2 0
  712. 24 15 1 0
  713. 25 23 1 0
  714. 26 24 2 0
  715. 27 11 2 0
  716. 28 12 2 0
  717. 29 17 1 0
  718. 30 17 1 0
  719. 31 17 1 0
  720. 32 33 2 0
  721. 33 28 1 0
  722. 8 13 2 0
  723. 27 32 1 0
  724. 25 18 2 0
  725. M CHG 2 2 1 14 -1
  726. M END
  727. > <CODE>
  728. SPB 07562
  729. > <IUPAC_NAME>
  730. N1-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}phenyl)-4-(tert-butyl)be nzamide
  731. > <price1>
  732. 1..........................18.00
  733. > <price2>
  734. 100......................12.50
  735. > <price3>
  736. 1,000...................11.30
  737. > <price4>
  738. 10,000...................8.00
  739. > <price5>
  740. 45,000...................6.00
  741. > <price6>
  742. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  743. > <cmpdinfo>
  744. No. of cmpds Ł/1mg cmpd
  745. > <FCFP_6>
  746. 16
  747. 8
  748. 0
  749. 17
  750. 1
  751. 3
  752. 5
  753. 32
  754. 203677720
  755. -1338588315
  756. -1410049896
  757. -828984032
  758. -1029533685
  759. 1618154665
  760. -1549103449
  761. 1747237384
  762. 1035613116
  763. 1294255210
  764. 590925877
  765. 332760439
  766. -124655670
  767. 260476081
  768. 1872392852
  769. -836633685
  770. 1872154524
  771. 71953198
  772. 136597326
  773. 134603128
  774. 1579401580
  775. -1641408229
  776. 1997806766
  777. 192331578
  778. -98859492
  779. -1925475824
  780. 885225145
  781. -1598679931
  782. 1175232969
  783. -1155471474
  784. 1258428229
  785. 1506190109
  786. -581879738
  787. -1454111645
  788. 289095609
  789. -453677277
  790. -773983804
  791. 1674451008
  792. 991735244
  793. 689610531
  794. -888075169
  795. 650647287
  796. -1799143719
  797. 241406177
  798. 1119771930
  799. -1139544385
  800. 1139671217
  801. 2111406068
  802. -800045143
  803. -10819545
  804. 384221478
  805. 1724895444
  806. 1790572653
  807. 1785362907
  808. -505031736
  809. -1427697183
  810. -1724769936
  811. -2090462286
  812. $$$$
  813. SciTegic10131016582D
  814. 28 30 0 0 0 0 999 V2000
  815. -3.1250 0.3375 0.0000 C 0 0
  816. -5.5667 -2.4833 0.0000 N 0 3
  817. -1.9083 -0.3708 0.0000 C 0 0
  818. -4.3417 -1.7792 0.0000 C 0 0
  819. -3.1167 1.7458 0.0000 C 0 0
  820. 3.1208 2.4875 0.0000 C 0 0
  821. -4.3417 -0.3708 0.0000 C 0 0
  822. -1.9083 -1.7792 0.0000 N 0 0
  823. -0.6792 0.3375 0.0000 S 0 0
  824. 1.9042 1.7875 0.0000 N 0 0
  825. 4.3375 1.7875 0.0000 C 0 0
  826. 1.9042 0.3750 0.0000 C 0 0
  827. 0.6708 -0.3333 0.0000 C 0 0
  828. 5.5625 2.4958 0.0000 S 0 0
  829. -3.1250 -2.4833 0.0000 C 0 0
  830. -6.7792 -1.7792 0.0000 O 0 5
  831. -5.5667 -3.8958 0.0000 O 0 0
  832. 4.3375 0.3750 0.0000 C 0 0
  833. 3.1292 3.9000 0.0000 O 0 0
  834. 6.7792 1.7875 0.0000 C 0 0
  835. 6.7792 0.3750 0.0000 C 0 0
  836. -3.1167 3.0333 0.0000 F 0 0
  837. -1.9667 2.6792 0.0000 F 0 0
  838. -4.2583 2.6833 0.0000 F 0 0
  839. 3.1125 -0.3333 0.0000 C 0 0
  840. 0.6708 -1.7417 0.0000 C 0 0
  841. 1.9042 -2.4458 0.0000 C 0 0
  842. 3.1125 -1.7417 0.0000 C 0 0
  843. 2 4 1 0
  844. 3 1 2 0
  845. 4 7 2 0
  846. 5 1 1 0
  847. 6 10 1 0
  848. 7 1 1 0
  849. 8 3 1 0
  850. 9 3 1 0
  851. 10 12 1 0
  852. 11 6 1 0
  853. 12 13 1 0
  854. 13 9 1 0
  855. 14 11 1 0
  856. 15 4 1 0
  857. 16 2 1 0
  858. 17 2 2 0
  859. 18 11 2 0
  860. 19 6 2 0
  861. 20 14 1 0
  862. 21 18 1 0
  863. 22 5 1 0
  864. 23 5 1 0
  865. 24 5 1 0
  866. 25 12 2 0
  867. 26 13 2 0
  868. 27 26 1 0
  869. 28 27 2 0
  870. 8 15 2 0
  871. 25 28 1 0
  872. 21 20 2 0
  873. M CHG 2 2 1 16 -1
  874. M END
  875. > <CODE>
  876. SPB 07563
  877. > <IUPAC_NAME>
  878. N2-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}phenyl)thiophene-2-carbo xamide
  879. > <price1>
  880. 1..........................18.00
  881. > <price2>
  882. 100......................12.50
  883. > <price3>
  884. 1,000...................11.30
  885. > <price4>
  886. 10,000...................8.00
  887. > <price5>
  888. 45,000...................6.00
  889. > <price6>
  890. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  891. > <cmpdinfo>
  892. No. of cmpds Ł/1mg cmpd
  893. > <FCFP_6>
  894. 16
  895. 8
  896. 0
  897. 17
  898. 1
  899. 3
  900. 5
  901. 32
  902. 203677720
  903. -1338588315
  904. -1410049896
  905. -828984032
  906. -1029533685
  907. -1549103449
  908. 1618154665
  909. 1747237384
  910. 1035613116
  911. 1294255210
  912. -1539132615
  913. 590925877
  914. 332760439
  915. -124655670
  916. 260476081
  917. 1872392852
  918. 1872154524
  919. 71953198
  920. 134603128
  921. 1579401580
  922. -1641408229
  923. 1997806766
  924. 192331578
  925. -1926447181
  926. -98859492
  927. 885225145
  928. -1598679931
  929. 1175232969
  930. -1199556931
  931. -1155471474
  932. 1258428229
  933. -1462709112
  934. 1506190109
  935. -1280036918
  936. -1695756380
  937. 730557100
  938. -773983804
  939. 1674451008
  940. 991735244
  941. 689610531
  942. -888075169
  943. 650647287
  944. 1033863897
  945. -1799143719
  946. 1119771930
  947. -1139544385
  948. 1646645826
  949. 1040131620
  950. 2111406068
  951. -800045143
  952. 1132802373
  953. -10819545
  954. 137138064
  955. -505031736
  956. -1427697183
  957. -2090462286
  958. -1724769936
  959. $$$$
  960. SciTegic10131016582D
  961. 19 21 0 0 0 0 999 V2000
  962. -0.3375 0.3125 0.0000 C 0 0
  963. -0.3375 1.7792 0.0000 N 0 0
  964. -1.6083 -0.4125 0.0000 S 0 0
  965. 0.9292 -0.4250 0.0000 N 0 0
  966. -2.8792 0.3125 0.0000 C 0 0
  967. -2.8792 1.7792 0.0000 C 0 0
  968. 7.2542 -1.1667 0.0000 N 0 0
  969. 3.4583 -1.8875 0.0000 N 0 0
  970. -4.3375 -0.7417 0.0000 C 0 0
  971. 5.9917 -1.8917 0.0000 C 0 0
  972. 0.9208 -1.8792 0.0000 C 0 0
  973. 2.1917 0.3125 0.0000 C 0 0
  974. -4.3375 2.6292 0.0000 C 0 0
  975. -5.8000 0.1000 0.0000 C 0 0
  976. 2.1875 -2.6125 0.0000 C 0 0
  977. 3.4583 -0.4250 0.0000 C 0 0
  978. 4.7208 -2.6250 0.0000 C 0 0
  979. -5.8000 1.7792 0.0000 C 0 0
  980. -7.2542 -0.7417 0.0000 Cl 0 0
  981. 2 1 2 0
  982. 3 1 1 0
  983. 4 1 1 0
  984. 5 3 1 0
  985. 6 2 1 0
  986. 7 10 3 0
  987. 8 16 1 0
  988. 9 5 2 0
  989. 10 17 1 0
  990. 11 4 1 0
  991. 12 4 1 0
  992. 13 6 2 0
  993. 14 9 1 0
  994. 15 11 1 0
  995. 16 12 1 0
  996. 17 8 1 0
  997. 18 13 1 0
  998. 19 14 1 0
  999. 6 5 1 0
  1000. 15 8 1 0
  1001. 18 14 2 0
  1002. M END
  1003. > <CODE>
  1004. SPB 07564
  1005. > <IUPAC_NAME>
  1006. 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]acetonitrile
  1007. > <price1>
  1008. 1..........................18.00
  1009. > <price2>
  1010. 100......................12.50
  1011. > <price3>
  1012. 1,000...................11.30
  1013. > <price4>
  1014. 10,000...................8.00
  1015. > <price5>
  1016. 45,000...................6.00
  1017. > <price6>
  1018. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  1019. > <cmpdinfo>
  1020. No. of cmpds Ł/1mg cmpd
  1021. > <FCFP_6>
  1022. 16
  1023. 17
  1024. 1
  1025. 9
  1026. 0
  1027. 32
  1028. -1410079687
  1029. 1747237384
  1030. 675769755
  1031. 178336375
  1032. -1362791977
  1033. -1343180157
  1034. 1618154665
  1035. -1277879912
  1036. -1272768868
  1037. 367998008
  1038. -587569116
  1039. 71476542
  1040. -939475899
  1041. -1044865801
  1042. 946229467
  1043. 193705859
  1044. 1852108031
  1045. 557002734
  1046. 1967609676
  1047. -822042736
  1048. 713358128
  1049. -745491832
  1050. -964367925
  1051. -270564593
  1052. 551850122
  1053. -2122102020
  1054. 679321016
  1055. 48182684
  1056. 210231571
  1057. 281647195
  1058. 516865083
  1059. 1706555375
  1060. -362593762
  1061. 1475536852
  1062. -1294566343
  1063. 461422072
  1064. -1516875559
  1065. 566085027
  1066. $$$$
  1067. SciTegic10131016582D
  1068. 31 33 0 0 0 0 999 V2000
  1069. -4.7292 -0.0125 0.0000 C 0 0
  1070. -7.3917 -3.0875 0.0000 N 0 3
  1071. -3.4167 -0.7750 0.0000 C 0 0
  1072. -6.0625 -2.3167 0.0000 C 0 0
  1073. -4.7292 1.5250 0.0000 C 0 0
  1074. -6.0625 -0.7750 0.0000 C 0 0
  1075. 2.0667 2.3292 0.0000 C 0 0
  1076. -3.4167 -2.3167 0.0000 N 0 0
  1077. -2.0792 -0.0125 0.0000 S 0 0
  1078. 0.7333 1.5667 0.0000 N 0 0
  1079. -0.6042 -0.7333 0.0000 C 0 0
  1080. 0.7333 0.0292 0.0000 C 0 0
  1081. -4.7292 -3.0875 0.0000 C 0 0
  1082. 3.3958 1.5667 0.0000 N 0 0
  1083. -8.7208 -2.3167 0.0000 O 0 5
  1084. -7.3917 -4.6208 0.0000 O 0 0
  1085. 2.0667 3.8708 0.0000 O 0 0
  1086. -5.9708 2.5417 0.0000 F 0 0
  1087. -4.7292 2.9250 0.0000 F 0 0
  1088. -3.4833 2.5375 0.0000 F 0 0
  1089. 4.7333 2.3292 0.0000 C 0 0
  1090. 7.3917 3.8667 0.0000 C 0 0
  1091. 8.7208 4.6208 0.0000 Cl 0 0
  1092. 4.7333 3.8667 0.0000 C 0 0
  1093. 6.0708 1.5542 0.0000 C 0 0
  1094. 6.0708 4.6208 0.0000 C 0 0
  1095. 7.3917 2.3292 0.0000 C 0 0
  1096. -0.6042 -2.2750 0.0000 C 0 0
  1097. 2.0542 -0.7333 0.0000 C 0 0
  1098. 2.0542 -2.2750 0.0000 C 0 0
  1099. 0.7333 -3.0458 0.0000 C 0 0
  1100. 2 4 1 0
  1101. 3 1 2 0
  1102. 4 6 2 0
  1103. 5 1 1 0
  1104. 6 1 1 0
  1105. 7 10 1 0
  1106. 8 3 1 0
  1107. 9 3 1 0
  1108. 10 12 1 0
  1109. 11 9 1 0
  1110. 12 11 1 0
  1111. 13 4 1 0
  1112. 14 7 1 0
  1113. 15 2 1 0
  1114. 16 2 2 0
  1115. 17 7 2 0
  1116. 18 5 1 0
  1117. 19 5 1 0
  1118. 20 5 1 0
  1119. 21 14 1 0
  1120. 22 27 1 0
  1121. 23 22 1 0
  1122. 24 21 2 0
  1123. 25 21 1 0
  1124. 26 24 1 0
  1125. 27 25 2 0
  1126. 28 11 2 0
  1127. 29 12 2 0
  1128. 30 31 2 0
  1129. 31 28 1 0
  1130. 8 13 2 0
  1131. 29 30 1 0
  1132. 26 22 2 0
  1133. M CHG 2 2 1 15 -1
  1134. M END
  1135. > <CODE>
  1136. SPB 07568
  1137. > <IUPAC_NAME>
  1138. N-(4-chlorophenyl)-N'-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}pheny l)urea
  1139. > <price1>
  1140. 1..........................18.00
  1141. > <price2>
  1142. 100......................12.50
  1143. > <price3>
  1144. 1,000...................11.30
  1145. > <price4>
  1146. 10,000...................8.00
  1147. > <price5>
  1148. 45,000...................6.00
  1149. > <price6>
  1150. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  1151. > <cmpdinfo>
  1152. No. of cmpds Ł/1mg cmpd
  1153. > <FCFP_6>
  1154. 16
  1155. 8
  1156. 0
  1157. 17
  1158. 1
  1159. 3
  1160. 5
  1161. 32
  1162. 203677720
  1163. -1338588315
  1164. -1410049896
  1165. -828984032
  1166. -1029533685
  1167. 1618154665
  1168. 1499521844
  1169. 1747237384
  1170. 1035613116
  1171. 1294255210
  1172. 332760439
  1173. 590925877
  1174. -124655670
  1175. 260476081
  1176. 1872392852
  1177. 1872154524
  1178. 71953198
  1179. 367998008
  1180. 71476542
  1181. 134603128
  1182. 1579401580
  1183. -1641408229
  1184. 1997806766
  1185. 192331578
  1186. -98859492
  1187. -1262922302
  1188. 885225145
  1189. -1598679931
  1190. -402549409
  1191. 1258428229
  1192. -1155471474
  1193. 1506190109
  1194. -1838187238
  1195. -745491832
  1196. -773983804
  1197. 551850122
  1198. 1674451008
  1199. 991735244
  1200. 689610531
  1201. -888075169
  1202. 650647287
  1203. -1799143719
  1204. 846704869
  1205. 1119771930
  1206. -1139544385
  1207. -886204842
  1208. -800045143
  1209. 2031084733
  1210. -10819545
  1211. 1752802620
  1212. -976015189
  1213. -1508180856
  1214. -794597678
  1215. -175681259
  1216. -1427697183
  1217. -505031736
  1218. -1724769936
  1219. -2090462286
  1220. $$$$
  1221. SciTegic10131016582D
  1222. 30 32 0 0 0 0 999 V2000
  1223. -4.0750 -0.0125 0.0000 C 0 0
  1224. -6.7375 -3.0917 0.0000 N 0 3
  1225. -2.7500 -0.7875 0.0000 C 0 0
  1226. -5.4083 -2.3250 0.0000 C 0 0
  1227. -4.0750 1.5250 0.0000 C 0 0
  1228. -5.4083 -0.7875 0.0000 C 0 0
  1229. 2.7417 2.3333 0.0000 C 0 0
  1230. -2.7500 -2.3250 0.0000 N 0 0
  1231. -1.4167 -0.0167 0.0000 S 0 0
  1232. 1.4000 1.5708 0.0000 N 0 0
  1233. 0.0625 -0.7417 0.0000 C 0 0
  1234. 1.4000 0.0333 0.0000 C 0 0
  1235. -4.0750 -3.0917 0.0000 C 0 0
  1236. 4.0708 1.5708 0.0000 N 0 0
  1237. -8.0708 -2.3250 0.0000 O 0 5
  1238. -6.7375 -4.6292 0.0000 O 0 0
  1239. 2.7417 3.8833 0.0000 O 0 0
  1240. -2.8208 2.5375 0.0000 F 0 0
  1241. -5.3125 2.5458 0.0000 F 0 0
  1242. -4.0750 2.9292 0.0000 F 0 0
  1243. 5.4125 2.3333 0.0000 C 0 0
  1244. 0.0625 -2.2792 0.0000 C 0 0
  1245. 2.7250 -0.7417 0.0000 C 0 0
  1246. 5.4125 3.8708 0.0000 C 0 0
  1247. 6.7417 1.5583 0.0000 C 0 0
  1248. 2.7250 -2.2792 0.0000 C 0 0
  1249. 1.4000 -3.0458 0.0000 C 0 0
  1250. 6.7417 4.6292 0.0000 C 0 0
  1251. 8.0708 2.3333 0.0000 C 0 0
  1252. 8.0708 3.8708 0.0000 C 0 0
  1253. 2 4 1 0
  1254. 3 1 2 0
  1255. 4 6 2 0
  1256. 5 1 1 0
  1257. 6 1 1 0
  1258. 7 10 1 0
  1259. 8 3 1 0
  1260. 9 3 1 0
  1261. 10 12 1 0
  1262. 11 9 1 0
  1263. 12 11 1 0
  1264. 13 4 1 0
  1265. 14 7 1 0
  1266. 15 2 1 0
  1267. 16 2 2 0
  1268. 17 7 2 0
  1269. 18 5 1 0
  1270. 19 5 1 0
  1271. 20 5 1 0
  1272. 21 14 1 0
  1273. 22 11 2 0
  1274. 23 12 2 0
  1275. 24 21 2 0
  1276. 25 21 1 0
  1277. 26 27 2 0
  1278. 27 22 1 0
  1279. 28 24 1 0
  1280. 29 25 2 0
  1281. 30 29 1 0
  1282. 8 13 2 0
  1283. 23 26 1 0
  1284. 28 30 2 0
  1285. M CHG 2 2 1 15 -1
  1286. M END
  1287. > <CODE>
  1288. SPB 07569
  1289. > <IUPAC_NAME>
  1290. N-(2-{[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio}phenyl)-N'-phenylurea
  1291. > <price1>
  1292. 1..........................18.00
  1293. > <price2>
  1294. 100......................12.50
  1295. > <price3>
  1296. 1,000...................11.30
  1297. > <price4>
  1298. 10,000...................8.00
  1299. > <price5>
  1300. 45,000...................6.00
  1301. > <price6>
  1302. Prices are dependant on quantity of compound and the total number ordered, see example above. Contact Maybridge or local distributor for further details.
  1303. > <cmpdinfo>
  1304. No. of cmpds Ł/1mg cmpd
  1305. > <FCFP_6>
  1306. 16
  1307. 8
  1308. 0
  1309. 17
  1310. 1
  1311. 3
  1312. 5
  1313. 32
  1314. 203677720
  1315. -1338588315
  1316. -1410049896
  1317. -828984032
  1318. -1029533685
  1319. 1618154665
  1320. 1499521844
  1321. 1747237384
  1322. 1035613116
  1323. 1294255210
  1324. 332760439
  1325. 590925877
  1326. -124655670
  1327. 260476081
  1328. 1872392852
  1329. 1872154524
  1330. 71953198
  1331. 134603128
  1332. 1579401580
  1333. -1641408229
  1334. 1997806766
  1335. 192331578
  1336. -98859492
  1337. -1262922302
  1338. 885225145
  1339. -1598679931
  1340. -402549409
  1341. 1258428229
  1342. -1155471474
  1343. 1506190109
  1344. -1838187238
  1345. 1674451008
  1346. -773983804
  1347. 991735244
  1348. 689610531
  1349. -888075169
  1350. 650647287
  1351. -1799143719
  1352. 846704869
  1353. 1119771930
  1354. -1139544385
  1355. -886204842
  1356. -800045143
  1357. 2031084733
  1358. -10819545
  1359. 1752802620
  1360. -976015189
  1361. -1427697183
  1362. -505031736
  1363. -792685140
  1364. -1724769936
  1365. -2090462286
  1366. -2093839777
  1367. $$$$