urdof7 commited on
Commit
008b0c6
·
verified ·
1 Parent(s): 7e47f6f

Added 410 molecules from epoch 16728 for P31645

Browse files
Files changed (1) hide show
  1. P31645_molecules.csv +410 -0
P31645_molecules.csv CHANGED
@@ -37030,3 +37030,413 @@ rxn:2:88633:128544,CN1CCOC(CONC2CCCC2CCc2ccc3c(c2)OCCO3)C1,CUKFQQJFFRGEMC-UHFFFA
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37280
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37281
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37282
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37283
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37284
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37285
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37286
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37287
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37288
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37289
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37290
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37291
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37292
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37293
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37294
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37295
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37296
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37297
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37298
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37299
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37300
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37301
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37302
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37303
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37304
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37305
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37306
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37307
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37308
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37309
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37310
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37311
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37312
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37313
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37314
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37315
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37316
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37317
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37318
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37319
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37320
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37321
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37322
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37323
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37324
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37325
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37326
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37327
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37328
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37329
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37330
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37331
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37332
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37333
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37334
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37335
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37336
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37337
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37338
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37339
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37340
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37341
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37342
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37343
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37344
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37345
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37346
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37347
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37348
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37349
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37350
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37351
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37352
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37353
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37354
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37355
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37356
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37357
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37358
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37359
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37360
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37361
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37362
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37363
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37364
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37365
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37366
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37367
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37368
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37369
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37370
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37371
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37372
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37373
+ rxn:2:121710:76668,CCN1CCC(NC2(C)CCCN(CCN(C)C)C2)C(C)C1,OKIGIPMWEKYOFL-UHFFFAOYSA-N
37374
+ rxn:2:122103:102560,COC1(CCNC(c2cccc(CN3CCSCC3)c2)C2CC2)COC1,LNNGEZUVKZTZCO-UHFFFAOYSA-N
37375
+ rxn:2:122103:120275,COC1(CCNC(c2ccc(CN3CCSCC3)cc2)C2CC2)COC1,XYFBOQMJAMKBSY-UHFFFAOYSA-N
37376
+ rxn:2:122103:76207,COC1(CCNC(c2cccc(CN3CCCCC3)c2)C2CC2)COC1,QIGYNPXUKAONQN-UHFFFAOYSA-N
37377
+ rxn:2:122489:148300,COCc1nc(C2CCCCC2)sc1CNC(c1ccc2c(c1)COCO2)c1ccc2c(c1)COCO2,CBOHNRSMBMZDCZ-UHFFFAOYSA-N
37378
+ rxn:2:122663:122103,COC1(CCNC(c2ccc(CN3CCCCC3)cc2)C2CC2)COC1,ZPZYWKHDLWVNHD-UHFFFAOYSA-N
37379
+ rxn:2:123440:107592,CN1CCC2CC(NCC#Cc3ccsc3COC3CCCCC3)CCC2C1,SLOUKOFTDVLVMH-UHFFFAOYSA-N
37380
+ rxn:2:123953:111089,CCN(CC)C1(CNC2CCCC(CN(C)C)C2)CCC(C)CC1,DKXIBZFHRYWKIP-UHFFFAOYSA-N
37381
+ rxn:2:125454:133317,COCC(CC1CCOCC1)NCCC1CCCCN1c1nc2ccccc2o1,KKVWHLTXQAKIJQ-UHFFFAOYSA-N
37382
+ rxn:2:127077:74708,COCC12COC(CNC3CCN(CCc4ccc5c(c4)CCCO5)CC3)(C1)C2,AVYNEYRGKDGPJU-UHFFFAOYSA-N
37383
+ rxn:2:128544:127077,COCC12COC(CNC3CCCC3CCc3ccc4c(c3)OCCO4)(C1)C2,XWJVFCULYHLLGP-UHFFFAOYSA-N
37384
+ rxn:2:128918:122489,COCc1nc(C2CCCCC2)sc1CNC(c1ccc2c(c1)CCCO2)C1COCCO1,LUJJBDABFUXVKF-UHFFFAOYSA-N
37385
+ rxn:2:131793:141384,CC1CCCCC1N(C)Cc1cccnc1NC1CCCC(N(C)C)C1,SVSPAPZTCMREPP-UHFFFAOYSA-N
37386
+ rxn:2:137501:140129,COC1(c2noc(CNC3c4ccccc4OCC3CN3CCOCC3)n2)CCCC1,HCVSYCWRJSIBTG-UHFFFAOYSA-N
37387
+ rxn:2:140418:109191,Cc1nn(CCN(C)C)c(NC2CCCN3CCCC3C2)c1C1CC1,CBSFKSRGDDCBGA-UHFFFAOYSA-N
37388
+ rxn:2:140418:87753,Cc1nn(CCN(C)C)c(NC2CCN(CC3CCC3)C2)c1C1CC1,NWUJADAJDGNJOW-UHFFFAOYSA-N
37389
+ rxn:2:140418:94193,Cc1nn(CCN(C)C)c(NCC2CCCN2CC2CC2)c1C1CC1,JDXUOZVPLGJEDI-UHFFFAOYSA-N
37390
+ rxn:2:159894:68597,COC1CCC2(CC1)CC(NCC1(c3nc(C)c(-c4cccs4)[nH]3)CCC1)CCO2,OZXXROYVSAUAMS-UHFFFAOYSA-N
37391
+ rxn:2:162035:68597,COC1CCC2(CC1)CC(NCCc1nc(C3(c4ccccc4)CCC3)no1)CCO2,ATDMHJBCEBSIJS-UHFFFAOYSA-N
37392
+ rxn:2:66725:67296,COc1ccc2c(c1)OCC2CCNC(C)c1ccc2c(c1)OCCOCCOCCO2,BFLDIKMUIFDSGD-UHFFFAOYSA-N
37393
+ rxn:2:67296:113440,CC1CC(COCCNC(C)c2ccc3c(c2)OCCOCCOCCO3)C1,DLSOQECFMWGRGL-UHFFFAOYSA-N
37394
+ rxn:2:67307:78879,COc1sc2c(c1CNC(CCN1CCCC1)c1ccc3c(c1)OCCO3)CCCO2,APGRYJMBCFVEGH-UHFFFAOYSA-N
37395
+ rxn:2:67640:77928,COCOc1cc2c(cc1C(C)NCC1(Cc3ccc4c(c3)OCCO4)CCCC1)CCO2,BACMGOZXKIPFOA-UHFFFAOYSA-N
37396
+ rxn:2:68597:159894,COC1CCC2(CC1)CC(NCC1(c3nc(C)c(-c4cccs4)[nH]3)CCC1)CCO2,OZXXROYVSAUAMS-UHFFFAOYSA-N
37397
+ rxn:2:68597:162035,COC1CCC2(CC1)CC(NCCc1nc(C3(c4ccccc4)CCC3)no1)CCO2,ATDMHJBCEBSIJS-UHFFFAOYSA-N
37398
+ rxn:2:69833:112299,COc1ccc2c(c1)C(NC1CCOC(c3ccc4c(c3)OCO4)C1)CC1(CCCC1)O2,AZTMSMWRPSWALT-UHFFFAOYSA-N
37399
+ rxn:2:69833:121118,COc1ccc2c(c1)C(NC1CCOC(c3ccc4c(c3)OCO4)C1)CC1(CCCCC1)O2,DNPAPNHEUOLARN-UHFFFAOYSA-N
37400
+ rxn:2:69985:127548,COc1ccc2c(c1)SCCC2NCC(C)CCN1CCN2CCCCC2C1,KMKXFOLEIIYBKO-UHFFFAOYSA-N
37401
+ rxn:2:71548:117001,COC1CCCCC1NCCN1CCC1c1ccc2c(c1)OCCCO2,KUSKMHDFPDKDDJ-UHFFFAOYSA-N
37402
+ rxn:2:71622:94499,CC(C)C1CCCCC1N[C@@H]1CCCN(CCN(C)C)C1,GLAXNORKXYCYHI-WWDZGPRUSA-N
37403
+ rxn:2:73364:78736,CC(C)C1(C)CCC(N[C@H]2CCCN(CCN(C)C)C2)CC1,NVTJSDMYHYTWRS-XBMUEBEBSA-N
37404
+ rxn:2:73364:94672,CCC(CN(CC)C1CCCCC1)N[C@H]1CCCN(CCN(C)C)C1,KQXWPTAULCVMEM-ANYOKISRSA-N
37405
+ rxn:2:74555:135575,CCCCCCN1CCC(N[C@]2(C)C[C@H](N(C)C)C2)CC1,RVKLCZDAJPNQFY-HDICACEKSA-N
37406
+ rxn:2:74708:127077,COCC12COC(CNC3CCN(CCc4ccc5c(c4)CCCO5)CC3)(C1)C2,AVYNEYRGKDGPJU-UHFFFAOYSA-N
37407
+ rxn:2:74872:109828,COCc1noc(C2(NC3CC([Si](C)(C)c4ccccc4)C34CCC4)CCCCCC2)n1,PPYKSSKMEUEVKQ-UHFFFAOYSA-N
37408
+ rxn:2:75104:105481,CC1CC(CN(C)CCNC2CCCN3[C@@H](CCC[C@H]3C)C2)C1,SYGZNLPZRDFKGU-PLIRHKCMSA-N
37409
+ rxn:2:76207:122103,COC1(CCNC(c2cccc(CN3CCCCC3)c2)C2CC2)COC1,QIGYNPXUKAONQN-UHFFFAOYSA-N
37410
+ rxn:2:76532:81729,COC1CCOC2(CCN(CCCNC3CC(Cc4ccc5c(c4)OCO5)C3)CC2)C1,COZUMLHETACGKB-UHFFFAOYSA-N
37411
+ rxn:2:76539:121821,CC(CCCN(C)C1CCCC1)N[C@@H]1CC[C@@H](N(C)C)C1,RATPURHOBGAIHZ-WOEZKJSCSA-N
37412
+ rxn:2:76668:121710,CCN1CCC(NC2(C)CCCN(CCN(C)C)C2)C(C)C1,OKIGIPMWEKYOFL-UHFFFAOYSA-N
37413
+ rxn:2:77346:128918,COc1ccc2c(c1)C(NC(c1ccc3c(c1)CCCO3)C1COCCO1)CC1(CCC1)O2,WEUHVKMNMUPUPA-UHFFFAOYSA-N
37414
+ rxn:2:78736:94499,CC(C)C1(C)CCC(N[C@@H]2CCCN(CCN(C)C)C2)CC1,NVTJSDMYHYTWRS-JLAWEPINSA-N
37415
+ rxn:2:78879:104873,COCC1CCCCN1CCNC(CCN1CCCC1)c1ccc2c(c1)OCCO2,BKYZDGKBXZXSPW-UHFFFAOYSA-N
37416
+ rxn:2:78888:85942,CCCN1CCC(C)N(C)C(CCNC2CC(OC)C23CCC3)C1,CGTVFEPEUDLOCR-UHFFFAOYSA-N
37417
+ rxn:2:79653:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1(N3CCCCCC3)CCOCC1)CO2,IVDFFNZFPKAGLL-UHFFFAOYSA-N
37418
+ rxn:2:80088:127817,COc1cc(CCNC(CC2=NCCO2)c2ccc3c(c2)OCO3)c(OC)c2c1CCC2,JCWBBMWVDQBSTF-UHFFFAOYSA-N
37419
+ rxn:2:80088:98120,COc1ccc2c(c1)OCCN(CCCNC(CC1=NCCO1)c1ccc3c(c1)OCO3)C2,OKRWHLDOKCBFMW-UHFFFAOYSA-N
37420
+ rxn:2:80263:103507,COc1cccc2c1CC1(CCCC1)C2NC(c1ccc2c(c1)CCCO2)C1COCCO1,ZXUMECGODGMOHI-UHFFFAOYSA-N
37421
+ rxn:2:80263:107164,COc1ccc2c(c1)OC1(CCCCC1)CC2NC(c1ccc2c(c1)CCCO2)C1COCCO1,NVJNPOKJTWRZTR-UHFFFAOYSA-N
37422
+ rxn:2:80427:109037,Cc1nn(CCN(C)C)c(NCC2CCCN2C2CCCC2)c1C1CCC1,IVGLIRKYPCLBEG-UHFFFAOYSA-N
37423
+ rxn:2:80427:109191,Cc1nn(CCN(C)C)c(NC2CCCN3CCCC3C2)c1C1CCC1,KRFPTAIWLQYXKU-UHFFFAOYSA-N
37424
+ rxn:2:81423:112596,COc1cc2c(c3c1C(NCCC1CC(c4ccc5c(c4)OCO5)C1)CC(C)O3)CCO2,YPWAETRARGDMJZ-UHFFFAOYSA-N
37425
+ rxn:2:82033:84473,COc1cc(C2CC2CCNC2CC3CCCCN3C2)cc2c1OCO2,AVHXNOBWQFGVHV-UHFFFAOYSA-N
37426
+ rxn:2:83349:104523,FC1CC(OCc2ccccc2)CCC1NCC1OCC2(CCCCC2)c2ccsc21,NOUBTEXMAWNUSW-UHFFFAOYSA-N
37427
+ rxn:2:84580:101247,CC1CC(C)CN(CC2CCCC(NCC=NN(C)C)C2)C1,IDWVRAOXUOQIOZ-UHFFFAOYSA-N
37428
+ rxn:2:84930:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCCN1C1CCCCC1,XATBYCRCVKRXBT-UHFFFAOYSA-N
37429
+ rxn:2:85798:94499,CCC1CCCCCN1CCC(C)N[C@@H]1CCCN(CCN(C)C)C1,SMUDHRKNOAAEJG-NYLDSWQDSA-N
37430
+ rxn:2:87430:119423,CCN1CCC(CNC2CCCc3c2cc(C)n3CCN(C)C)CC1,GVBGACLNUSSNKL-UHFFFAOYSA-N
37431
+ rxn:2:87639:87728,CCN(CC)C1(CNC2CC(CN(C)C)C2)CCCCCC1,SGKHSNCMQWJYOP-UHFFFAOYSA-N
37432
+ rxn:2:89318:141384,CCN(CCNC1CCCC(N(C)C)C1)[C@@H]1CCCN(C)C1,WEFMHLVXZGUZSL-DAWZGUTISA-N
37433
+ rxn:2:90375:83910,CN(CCC1CCCN(C)C1)CNC1CC2CCC1O2,KLMVOIKHFIDXJS-UHFFFAOYSA-N
37434
+ rxn:2:91323:154483,COc1ccsc1-c1cccc2c1C(NCC1COCCOCCOCCOCCO1)CO2,GRWGIBOZYGOVAS-UHFFFAOYSA-N
37435
+ rxn:2:91323:164960,COc1ccsc1-c1ccc2c(c1)C(NCC1COCCOCCOCCOCCO1)CO2,GUDVDDIGWDFXML-UHFFFAOYSA-N
37436
+ rxn:2:94499:109761,CC(C)CN1CCC(N[C@@H]2CCCN(CCN(C)C)C2)C1,CBSKRIIUEBGGPO-TZHYSIJRSA-N
37437
+ rxn:2:97205:105481,CC1CC(CN(C)CCNC2CCC3CCCN3CC2)C1,SINFKXBLAGXQLQ-UHFFFAOYSA-N
37438
+ rxn:2:98120:102181,COc1ccc2c(c1)OCCN(CCCNC1CCC(C3(C4CCOCC4)COC3)CC1)C2,IDGYWFRKTNMEKK-UHFFFAOYSA-N
37439
+ rxn:2:98519:96805,COC1COc2ccc(C(C)C)cc2C1NCc1cc(COC2CCCCCC2)c(C)o1,GJNZGCQNRZXODG-UHFFFAOYSA-N
37440
+ rxn:2:99191:113899,CCC(Nc1onc(CN(C)C)c1C)C1CCN(C2CCCCC2)C1,LGWWJUYHBQGXQW-UHFFFAOYSA-N
37441
+ rxn:2:99287:158038,COCOc1ccc(C)cc1-c1cccc2c1C(NCC1(N3CCOCC3)CCCC1)CO2,HLZFJRBMBNYNDU-UHFFFAOYSA-N
37442
+ rxn:2:99904:138252,CCN(C)C1CCCCCC1NCCC1C(c2cccn2C)C1(F)F,ZLVAJABTWQJYHQ-UHFFFAOYSA-N