smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(C#N)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000826679752 810732976 /nfs/dbraw/zinc/73/29/76/810732976.db2.gz VZEUTJQTWAZKBA-CQSZACIVSA-N 1 1 256.309 2.348 50 30 CEEAMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000826679752 810732981 /nfs/dbraw/zinc/73/29/81/810732981.db2.gz VZEUTJQTWAZKBA-CQSZACIVSA-N 1 1 256.309 2.348 50 30 CEEAMO N#Cc1ccc(CN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000584908859 813615731 /nfs/dbraw/zinc/61/57/31/813615731.db2.gz OETDBWOVYOQJNJ-UHFFFAOYSA-N 1 1 299.418 2.245 50 30 CEEAMO C#C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000585116864 813680955 /nfs/dbraw/zinc/68/09/55/813680955.db2.gz KQUYIFFIMZWGHH-JTQLQIEISA-N 1 1 275.682 2.025 50 30 CEEAMO C#C[C@H](CCC)[NH2+][C@@]1(CN)CC(C)(C)OC1(C)C ZINC000229952151 816667698 /nfs/dbraw/zinc/66/76/98/816667698.db2.gz BSKPVRKHAHWENJ-IUODEOHRSA-N 1 1 252.402 2.053 50 30 CEEAMO N#Cc1nccnc1NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000584886059 344997514 /nfs/dbraw/zinc/99/75/14/344997514.db2.gz MKRQGPPRQPQPNZ-ZDUSSCGKSA-N 1 1 285.395 2.415 50 30 CEEAMO N#Cc1cccc(NC(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000057988037 362603709 /nfs/dbraw/zinc/60/37/09/362603709.db2.gz ZYLQSVYEDQUNKJ-UHFFFAOYSA-N 1 1 284.363 2.260 50 30 CEEAMO C#CC[N@H+](Cc1cnc2nc(C)cc(C)n12)CC1CC1 ZINC000092099381 539818309 /nfs/dbraw/zinc/81/83/09/539818309.db2.gz MQMRLAFKGZSFOL-UHFFFAOYSA-N 1 1 268.364 2.191 50 30 CEEAMO CC(Cl)(Cl)C(=O)ONC1=[NH+]CCCCC1 ZINC000003188888 361267110 /nfs/dbraw/zinc/26/71/10/361267110.db2.gz ZYYNGGFJYVDPDJ-UHFFFAOYSA-N 1 1 253.129 2.201 50 30 CEEAMO CC#CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000012297768 361377011 /nfs/dbraw/zinc/37/70/11/361377011.db2.gz NFZKPDKLOYJVPP-INIZCTEOSA-N 1 1 270.376 2.133 50 30 CEEAMO C[NH+](C)[C@@H](C(=O)N1CCC(C#N)CC1)c1cccc(F)c1 ZINC000095384138 364353281 /nfs/dbraw/zinc/35/32/81/364353281.db2.gz JGZQWECNWJPIKX-OAHLLOKOSA-N 1 1 289.354 2.191 50 30 CEEAMO CC[N@@H+](Cc1ccc(C#N)cc1OC)C(C)(C)CO ZINC000097096414 364447788 /nfs/dbraw/zinc/44/77/88/364447788.db2.gz USBNWFGJTPVUTR-UHFFFAOYSA-N 1 1 262.353 2.160 50 30 CEEAMO C#CC[N@H+](CCc1nnc(N)s1)[C@H]1CCc2ccccc21 ZINC000097373522 364493834 /nfs/dbraw/zinc/49/38/34/364493834.db2.gz JBMKCKMADIPBMR-AWEZNQCLSA-N 1 1 298.415 2.286 50 30 CEEAMO C#CC[N@@H+](C[C@@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000195575796 370143931 /nfs/dbraw/zinc/14/39/31/370143931.db2.gz WBFLXOZZMDNYRP-ARFHVFGLSA-N 1 1 295.448 2.101 50 30 CEEAMO C#CC[N@H+](C[C@@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000195575796 370143933 /nfs/dbraw/zinc/14/39/33/370143933.db2.gz WBFLXOZZMDNYRP-ARFHVFGLSA-N 1 1 295.448 2.101 50 30 CEEAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000003583694 169899773 /nfs/dbraw/zinc/89/97/73/169899773.db2.gz GVNNEZPEIXRXFP-LBPRGKRZSA-N 1 1 257.337 2.371 50 30 CEEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccccc2)c1 ZINC000005102446 170066465 /nfs/dbraw/zinc/06/64/65/170066465.db2.gz FYADWBVHRWZUBC-UHFFFAOYSA-N 1 1 254.289 2.472 50 30 CEEAMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000069655656 260262393 /nfs/dbraw/zinc/26/23/93/260262393.db2.gz MMVDZPGYUYUCOQ-YJBOKZPZSA-N 1 1 297.402 2.284 50 30 CEEAMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000069491388 518649921 /nfs/dbraw/zinc/64/99/21/518649921.db2.gz XLRMXHGCNPEOTN-GFCCVEGCSA-N 1 1 258.793 2.223 50 30 CEEAMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000069491388 518649925 /nfs/dbraw/zinc/64/99/25/518649925.db2.gz XLRMXHGCNPEOTN-GFCCVEGCSA-N 1 1 258.793 2.223 50 30 CEEAMO N#CCC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000049442805 526459350 /nfs/dbraw/zinc/45/93/50/526459350.db2.gz ZZAGZBVZJLHOHY-ZDUSSCGKSA-N 1 1 263.385 2.061 50 30 CEEAMO N#CCC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000049442805 526459356 /nfs/dbraw/zinc/45/93/56/526459356.db2.gz ZZAGZBVZJLHOHY-ZDUSSCGKSA-N 1 1 263.385 2.061 50 30 CEEAMO CCC#CC[N@@H+](C)CC1(N2CCOCC2)CCCCC1 ZINC000822523024 810584866 /nfs/dbraw/zinc/58/48/66/810584866.db2.gz KIGAWRHGKBLEOQ-UHFFFAOYSA-N 1 1 278.440 2.367 50 30 CEEAMO CCC#CCN(C)CC1([NH+]2CCOCC2)CCCCC1 ZINC000822523024 810584870 /nfs/dbraw/zinc/58/48/70/810584870.db2.gz KIGAWRHGKBLEOQ-UHFFFAOYSA-N 1 1 278.440 2.367 50 30 CEEAMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCCC#N ZINC000032777552 361756043 /nfs/dbraw/zinc/75/60/43/361756043.db2.gz WOEDZVJWGPWHRP-LLVKDONJSA-N 1 1 279.771 2.363 50 30 CEEAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC#N ZINC000032777552 361756047 /nfs/dbraw/zinc/75/60/47/361756047.db2.gz WOEDZVJWGPWHRP-LLVKDONJSA-N 1 1 279.771 2.363 50 30 CEEAMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052008712 362460426 /nfs/dbraw/zinc/46/04/26/362460426.db2.gz QLQWUQSRVHWFCV-CQSZACIVSA-N 1 1 289.379 2.321 50 30 CEEAMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052008712 362460432 /nfs/dbraw/zinc/46/04/32/362460432.db2.gz QLQWUQSRVHWFCV-CQSZACIVSA-N 1 1 289.379 2.321 50 30 CEEAMO CCn1ncc(C[N@H+](C)Cc2cc(C#N)n(C)c2)c1C ZINC000584891929 344999933 /nfs/dbraw/zinc/99/99/33/344999933.db2.gz IMHBMNVJFSZIIZ-UHFFFAOYSA-N 1 1 271.368 2.054 50 30 CEEAMO CCn1ncc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)c1C ZINC000584891929 344999936 /nfs/dbraw/zinc/99/99/36/344999936.db2.gz IMHBMNVJFSZIIZ-UHFFFAOYSA-N 1 1 271.368 2.054 50 30 CEEAMO C=C(C)C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000058340942 362622981 /nfs/dbraw/zinc/62/29/81/362622981.db2.gz YLTIJUDTRKPNNM-NSHDSACASA-N 1 1 265.382 2.370 50 30 CEEAMO N#Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cn1 ZINC000065526095 362832027 /nfs/dbraw/zinc/83/20/27/362832027.db2.gz QVOOSEHRJFYTBY-UHFFFAOYSA-N 1 1 279.343 2.452 50 30 CEEAMO CN(C)c1nc(N(C)Cc2cccc(C#N)c2)cc[nH+]1 ZINC000068690024 362944329 /nfs/dbraw/zinc/94/43/29/362944329.db2.gz DTBKQICMUZIFLR-UHFFFAOYSA-N 1 1 267.336 2.051 50 30 CEEAMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000069738822 362995790 /nfs/dbraw/zinc/99/57/90/362995790.db2.gz JIRXPRSWAWBRCD-NXEZZACHSA-N 1 1 268.307 2.306 50 30 CEEAMO C=C(C)C[N@H+]1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069739248 362995956 /nfs/dbraw/zinc/99/59/56/362995956.db2.gz PWAWAEZYVHJJMG-RDJZCZTQSA-N 1 1 274.408 2.302 50 30 CEEAMO C=C(C)CN1CC[N@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069739248 362995959 /nfs/dbraw/zinc/99/59/59/362995959.db2.gz PWAWAEZYVHJJMG-RDJZCZTQSA-N 1 1 274.408 2.302 50 30 CEEAMO C=C(C)CN1CC[N@@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069739248 362995962 /nfs/dbraw/zinc/99/59/62/362995962.db2.gz PWAWAEZYVHJJMG-RDJZCZTQSA-N 1 1 274.408 2.302 50 30 CEEAMO CC(C)CC(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000070641591 363101821 /nfs/dbraw/zinc/10/18/21/363101821.db2.gz NVIZZHOQRGDSBZ-UHFFFAOYSA-N 1 1 284.403 2.210 50 30 CEEAMO CC(C)CC(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000070641591 363101824 /nfs/dbraw/zinc/10/18/24/363101824.db2.gz NVIZZHOQRGDSBZ-UHFFFAOYSA-N 1 1 284.403 2.210 50 30 CEEAMO CCC[N@@H+](C)CCC(=O)N[C@@H](C#N)c1ccc(F)cc1F ZINC000071900234 363118430 /nfs/dbraw/zinc/11/84/30/363118430.db2.gz PZOQMGWASAUXBS-AWEZNQCLSA-N 1 1 295.333 2.378 50 30 CEEAMO CSc1nc(/[NH+]=C/N(C)C)n(-c2ccccc2)n1 ZINC000004389435 361315002 /nfs/dbraw/zinc/31/50/02/361315002.db2.gz ILWNNQCAFHUKAX-UKTHLTGXSA-N 1 1 261.354 2.211 50 30 CEEAMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000097200673 364475671 /nfs/dbraw/zinc/47/56/71/364475671.db2.gz NERRYAPJFOFOQV-CQSZACIVSA-N 1 1 258.369 2.343 50 30 CEEAMO C[N@H+]1CCCC[C@H]1CC(=O)NCc1ccc(C#N)cc1 ZINC000215501432 370176102 /nfs/dbraw/zinc/17/61/02/370176102.db2.gz KQPOYRSZVQDXKT-HNNXBMFYSA-N 1 1 271.364 2.049 50 30 CEEAMO CCCN(CCC)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000095468478 256880769 /nfs/dbraw/zinc/88/07/69/256880769.db2.gz NFZYHVLYLJVUBP-UHFFFAOYSA-N 1 1 265.401 2.261 50 30 CEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)CC1CC1 ZINC000036098034 394494882 /nfs/dbraw/zinc/49/48/82/394494882.db2.gz IZHSFERCBXEBGC-OAHLLOKOSA-N 1 1 279.380 2.364 50 30 CEEAMO C[C@@H]1C[NH+](CCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000020653153 171269142 /nfs/dbraw/zinc/26/91/42/171269142.db2.gz XWXXYLIGPHKWNO-CHWSQXEVSA-N 1 1 260.337 2.046 50 30 CEEAMO C[C@@H]1C[NH+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)O1 ZINC000022226200 171380163 /nfs/dbraw/zinc/38/01/63/171380163.db2.gz XALDICHJXWUMTD-GHMZBOCLSA-N 1 1 293.392 2.058 50 30 CEEAMO CC[NH+]1CCN(c2nsc(-c3cccnc3)c2C#N)CC1 ZINC000046088217 175392249 /nfs/dbraw/zinc/39/22/49/175392249.db2.gz ZZXTYYLCBYIYAN-UHFFFAOYSA-N 1 1 299.403 2.219 50 30 CEEAMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000071875712 176285613 /nfs/dbraw/zinc/28/56/13/176285613.db2.gz VKIAVMKJVPUTLN-MRXNPFEDSA-N 1 1 296.374 2.298 50 30 CEEAMO N#Cc1c(F)cccc1NCCCC[N@@H+]1CCC[C@H]1CO ZINC000071893770 176291749 /nfs/dbraw/zinc/29/17/49/176291749.db2.gz ILRWLLCZGGDJDA-ZDUSSCGKSA-N 1 1 291.370 2.346 50 30 CEEAMO COc1ccccc1CC(=O)ONC(=[NH2+])c1ccccc1 ZINC000004845136 260016520 /nfs/dbraw/zinc/01/65/20/260016520.db2.gz JAATXSSQRZCPLU-UHFFFAOYSA-N 1 1 284.315 2.101 50 30 CEEAMO C#CCCC1(CCC(=O)NC[C@H]2CCC[N@H+](CC)C2)N=N1 ZINC000952882376 815075587 /nfs/dbraw/zinc/07/55/87/815075587.db2.gz QFJQMYFQZYZLFK-CQSZACIVSA-N 1 1 290.411 2.190 50 30 CEEAMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccc1F ZINC000095965452 185045281 /nfs/dbraw/zinc/04/52/81/185045281.db2.gz FPYXMUPMIJCKAD-CQSZACIVSA-N 1 1 262.328 2.434 50 30 CEEAMO N#Cc1ccc(F)cc1CSCC[NH+]1CCOCC1 ZINC000095977047 185051823 /nfs/dbraw/zinc/05/18/23/185051823.db2.gz FZFHMFCWDPFETM-UHFFFAOYSA-N 1 1 280.368 2.263 50 30 CEEAMO C=CCOC[C@H](O)C[N@H+](CCOC)Cc1cccc(C)c1 ZINC000036100474 361828269 /nfs/dbraw/zinc/82/82/69/361828269.db2.gz PCFXSKOIRYOQMP-QGZVFWFLSA-N 1 1 293.407 2.007 50 30 CEEAMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000047979991 362237132 /nfs/dbraw/zinc/23/71/32/362237132.db2.gz IWRWFMSSCZEUDG-KRWDZBQOSA-N 1 1 297.402 2.296 50 30 CEEAMO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@H](C#N)C1 ZINC000194703814 344520060 /nfs/dbraw/zinc/52/00/60/344520060.db2.gz WQEHQCHTSGJYGF-YNEHKIRRSA-N 1 1 250.342 2.096 50 30 CEEAMO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCC[C@H](C#N)C1 ZINC000194703814 344520061 /nfs/dbraw/zinc/52/00/61/344520061.db2.gz WQEHQCHTSGJYGF-YNEHKIRRSA-N 1 1 250.342 2.096 50 30 CEEAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000058203179 362612831 /nfs/dbraw/zinc/61/28/31/362612831.db2.gz DHKWCOAPJQMSIH-AWEZNQCLSA-N 1 1 286.379 2.410 50 30 CEEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2nccs2)C1 ZINC000091908181 180284794 /nfs/dbraw/zinc/28/47/94/180284794.db2.gz RSAPHCXBEZACBN-CYBMUJFWSA-N 1 1 252.383 2.294 50 30 CEEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2nccs2)C1 ZINC000091908181 180284797 /nfs/dbraw/zinc/28/47/97/180284797.db2.gz RSAPHCXBEZACBN-CYBMUJFWSA-N 1 1 252.383 2.294 50 30 CEEAMO C#Cc1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000095467044 540163251 /nfs/dbraw/zinc/16/32/51/540163251.db2.gz MKRMPDRSBFTRLS-CHWSQXEVSA-N 1 1 271.364 2.224 50 30 CEEAMO Cc1[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)cc1C#N ZINC000670470833 540428282 /nfs/dbraw/zinc/42/82/82/540428282.db2.gz PYXREVDHVPUXNF-BBRMVZONSA-N 1 1 272.396 2.111 50 30 CEEAMO C=CC[NH2+]Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000004487207 361318082 /nfs/dbraw/zinc/31/80/82/361318082.db2.gz QCMARLQWNJHDEZ-UHFFFAOYSA-N 1 1 275.308 2.029 50 30 CEEAMO COc1ccccc1C[C@H]1/C(=N\O)C2CC[NH+]1CC2 ZINC000013154388 361421126 /nfs/dbraw/zinc/42/11/26/361421126.db2.gz ZJKDSJQSAHGPTC-PVEMMZBWSA-N 1 1 260.337 2.162 50 30 CEEAMO Cn1cccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771334 361551377 /nfs/dbraw/zinc/55/13/77/361551377.db2.gz VVDWLSQEGZBOBU-NBVRZTHBSA-N 1 1 282.391 2.177 50 30 CEEAMO C[C@@H]([NH2+]CC(=O)NCCC#N)c1ccccc1Cl ZINC000027353999 361651483 /nfs/dbraw/zinc/65/14/83/361651483.db2.gz YTJIPCASJYVOKY-SNVBAGLBSA-N 1 1 265.744 2.020 50 30 CEEAMO COc1ccc(C#N)cc1C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000095999296 364397560 /nfs/dbraw/zinc/39/75/60/364397560.db2.gz PEHRUOQLLSPVOD-WFASDCNBSA-N 1 1 274.364 2.302 50 30 CEEAMO N#Cc1csc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188407809 369351673 /nfs/dbraw/zinc/35/16/73/369351673.db2.gz HZXMHPFWHJDTOG-ZDUSSCGKSA-N 1 1 272.377 2.481 50 30 CEEAMO N#Cc1c(F)cccc1N1CCC[N@H+]2CCC[C@H]2C1 ZINC000247639604 371130944 /nfs/dbraw/zinc/13/09/44/371130944.db2.gz GJXVILBCJDPTML-LBPRGKRZSA-N 1 1 259.328 2.372 50 30 CEEAMO COc1c2c(cc3c1[C@@H](CC(C)=NO)[N@@H+](C)CC3)OCO2 ZINC000252680287 371468521 /nfs/dbraw/zinc/46/85/21/371468521.db2.gz YOYOJDLMJVKPRB-LLVKDONJSA-N 1 1 292.335 2.193 50 30 CEEAMO C=CCOC[C@@H](O)C[N@H+](CCC)Cc1ccc(C)o1 ZINC000036097900 394494525 /nfs/dbraw/zinc/49/45/25/394494525.db2.gz VTNYPZJSBTWHQM-AWEZNQCLSA-N 1 1 267.369 2.364 50 30 CEEAMO C[N@H+](CC(=O)NCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000048260617 400191654 /nfs/dbraw/zinc/19/16/54/400191654.db2.gz RZUKZYQCYMYHOD-UHFFFAOYSA-N 1 1 287.407 2.446 50 30 CEEAMO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000048260617 400191657 /nfs/dbraw/zinc/19/16/57/400191657.db2.gz RZUKZYQCYMYHOD-UHFFFAOYSA-N 1 1 287.407 2.446 50 30 CEEAMO CNC(=O)ONC(=[NH2+])Cc1csc2ccccc12 ZINC000008552971 170339988 /nfs/dbraw/zinc/33/99/88/170339988.db2.gz PCRGAQHURKFVCA-UHFFFAOYSA-N 1 1 263.322 2.072 50 30 CEEAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000009996411 170393563 /nfs/dbraw/zinc/39/35/63/170393563.db2.gz FCWNEZMAICYRFQ-LBPRGKRZSA-N 1 1 257.337 2.229 50 30 CEEAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000110642484 344269350 /nfs/dbraw/zinc/26/93/50/344269350.db2.gz MWNKWMVCJRBUBM-UMVBOHGHSA-N 1 1 295.452 2.011 50 30 CEEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2cncn2C2CC2)C1 ZINC000091410623 180148766 /nfs/dbraw/zinc/14/87/66/180148766.db2.gz LISDTAMKPUBCBF-INIZCTEOSA-N 1 1 275.396 2.369 50 30 CEEAMO N#Cc1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069856026 363008547 /nfs/dbraw/zinc/00/85/47/363008547.db2.gz PXQTWJCMFKARLY-MRXNPFEDSA-N 1 1 299.418 2.102 50 30 CEEAMO N#Cc1ccccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856026 363008552 /nfs/dbraw/zinc/00/85/52/363008552.db2.gz PXQTWJCMFKARLY-MRXNPFEDSA-N 1 1 299.418 2.102 50 30 CEEAMO 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CEEAMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000071875454 176284915 /nfs/dbraw/zinc/28/49/15/176284915.db2.gz QODMQIGEZMRFSF-MRXNPFEDSA-N 1 1 266.348 2.419 50 30 CEEAMO NC(=[NH2+])Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC000013154047 274941860 /nfs/dbraw/zinc/94/18/60/274941860.db2.gz WNJKNADHWJKYGZ-UHFFFAOYSA-N 1 1 263.304 2.202 50 30 CEEAMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000069491387 518649216 /nfs/dbraw/zinc/64/92/16/518649216.db2.gz XLRMXHGCNPEOTN-LBPRGKRZSA-N 1 1 258.793 2.223 50 30 CEEAMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000069491387 518649222 /nfs/dbraw/zinc/64/92/22/518649222.db2.gz XLRMXHGCNPEOTN-LBPRGKRZSA-N 1 1 258.793 2.223 50 30 CEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000036102903 526810338 /nfs/dbraw/zinc/81/03/38/526810338.db2.gz CMZHNTMVBHPPKY-MRXNPFEDSA-N 1 1 291.391 2.223 50 30 CEEAMO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000032754487 526990681 /nfs/dbraw/zinc/99/06/81/526990681.db2.gz WWXFHFYNDGBWCI-GFCCVEGCSA-N 1 1 270.332 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250.342 2.096 50 30 CEEAMO CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CCC[C@H](C#N)C1 ZINC000194703832 344519945 /nfs/dbraw/zinc/51/99/45/344519945.db2.gz WQEHQCHTSGJYGF-RWMBFGLXSA-N 1 1 250.342 2.096 50 30 CEEAMO C=C(Br)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000084544136 539510409 /nfs/dbraw/zinc/51/04/09/539510409.db2.gz SESQRMLYKZTJOU-LBPRGKRZSA-N 1 1 290.201 2.165 50 30 CEEAMO C=C(C)COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000067489970 362908652 /nfs/dbraw/zinc/90/86/52/362908652.db2.gz PTFUFFONELBSGF-CQSZACIVSA-N 1 1 288.391 2.323 50 30 CEEAMO C=CCC(C)(C)C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067675632 362918713 /nfs/dbraw/zinc/91/87/13/362918713.db2.gz MJIWRESWNGZPBV-AWEZNQCLSA-N 1 1 252.402 2.437 50 30 CEEAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(C#N)c1)C2 ZINC000091907265 180283835 /nfs/dbraw/zinc/28/38/35/180283835.db2.gz OHKCIVJKAYLLGB-DZGCQCFKSA-N 1 1 284.363 2.116 50 30 CEEAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC000069564467 362981532 /nfs/dbraw/zinc/98/15/32/362981532.db2.gz 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/nfs/dbraw/zinc/30/35/07/361303507.db2.gz BCGDWRLQOZOLGU-UHFFFAOYSA-N 1 1 258.252 2.303 50 30 CEEAMO C=CCNC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000016694373 361495570 /nfs/dbraw/zinc/49/55/70/361495570.db2.gz YZBNMUFAMMLZRA-HNNXBMFYSA-N 1 1 258.365 2.298 50 30 CEEAMO CC[N@@H+](CCCC(=O)OC)Cc1ccc(C#N)cc1F ZINC000095397863 364358676 /nfs/dbraw/zinc/35/86/76/364358676.db2.gz GJYAZTGSJSCQDJ-UHFFFAOYSA-N 1 1 278.327 2.472 50 30 CEEAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C#N)cc1 ZINC000095377002 364350850 /nfs/dbraw/zinc/35/08/50/364350850.db2.gz VUENHKMCGGEGQK-MRXNPFEDSA-N 1 1 285.391 2.439 50 30 CEEAMO CC[N@H+]1CC[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000243892392 370790563 /nfs/dbraw/zinc/79/05/63/370790563.db2.gz AHQNJMNIZDZBSV-MRXNPFEDSA-N 1 1 298.434 2.022 50 30 CEEAMO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000268863028 372260195 /nfs/dbraw/zinc/26/01/95/372260195.db2.gz RVDURAPDEIFOII-UHFFFAOYSA-N 1 1 296.349 2.415 50 30 CEEAMO Cc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000042106214 394501517 /nfs/dbraw/zinc/50/15/17/394501517.db2.gz QCIMOCYMECWIAD-UHFFFAOYSA-N 1 1 285.391 2.189 50 30 CEEAMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000059370972 394566440 /nfs/dbraw/zinc/56/64/40/394566440.db2.gz CROYJKWGYTXPKJ-AWEZNQCLSA-N 1 1 273.380 2.127 50 30 CEEAMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000059370972 394566441 /nfs/dbraw/zinc/56/64/41/394566441.db2.gz CROYJKWGYTXPKJ-AWEZNQCLSA-N 1 1 273.380 2.127 50 30 CEEAMO C=CCOc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020653263 171269054 /nfs/dbraw/zinc/26/90/54/171269054.db2.gz SWEAWFLDIRSYQC-UHFFFAOYSA-N 1 1 277.364 2.353 50 30 CEEAMO COC(=O)c1c(/[NH+]=C/N(C)C)c(C#N)c2n1CCCCC2 ZINC000016134135 277417026 /nfs/dbraw/zinc/41/70/26/277417026.db2.gz MWPJJDLUEAGQME-LICLKQGHSA-N 1 1 288.351 2.094 50 30 CEEAMO C[C@@H]1COCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000035775923 361821348 /nfs/dbraw/zinc/82/13/48/361821348.db2.gz LLJDUTSNKYDZQR-CYBMUJFWSA-N 1 1 260.337 2.048 50 30 CEEAMO C[C@@H]1COCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000035775923 361821357 /nfs/dbraw/zinc/82/13/57/361821357.db2.gz LLJDUTSNKYDZQR-CYBMUJFWSA-N 1 1 260.337 2.048 50 30 CEEAMO C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000040460827 361994089 /nfs/dbraw/zinc/99/40/89/361994089.db2.gz SPNCYVIJDSSKPX-CYBMUJFWSA-N 1 1 263.385 2.061 50 30 CEEAMO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)c1 ZINC000106844106 344259118 /nfs/dbraw/zinc/25/91/18/344259118.db2.gz ULNYJLLKPWKRSG-HUUCEWRRSA-N 1 1 271.368 2.099 50 30 CEEAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)c1 ZINC000106844106 344259120 /nfs/dbraw/zinc/25/91/20/344259120.db2.gz ULNYJLLKPWKRSG-HUUCEWRRSA-N 1 1 271.368 2.099 50 30 CEEAMO CC1CC(C#N)(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000084686131 539521587 /nfs/dbraw/zinc/52/15/87/539521587.db2.gz JSRWDHSGAYQUQX-GNHJJJEISA-N 1 1 289.423 2.307 50 30 CEEAMO CS[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1N(C)C ZINC000599337724 346501759 /nfs/dbraw/zinc/50/17/59/346501759.db2.gz GWWBHWVHTVMCRA-HOTGVXAUSA-N 1 1 289.448 2.344 50 30 CEEAMO CS[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1N(C)C ZINC000599337724 346501763 /nfs/dbraw/zinc/50/17/63/346501763.db2.gz GWWBHWVHTVMCRA-HOTGVXAUSA-N 1 1 289.448 2.344 50 30 CEEAMO C[C@H](CC#N)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000065541646 362833364 /nfs/dbraw/zinc/83/33/64/362833364.db2.gz KABMVYISKGRUQH-CYBMUJFWSA-N 1 1 258.369 2.464 50 30 CEEAMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000070003661 363019331 /nfs/dbraw/zinc/01/93/31/363019331.db2.gz IPZDBOGKWYCWNR-CJNGLKHVSA-N 1 1 274.364 2.172 50 30 CEEAMO N#Cc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000072420037 363134556 /nfs/dbraw/zinc/13/45/56/363134556.db2.gz OJOSRBZVOYQCLX-UHFFFAOYSA-N 1 1 253.309 2.060 50 30 CEEAMO Cc1cc(C(=O)ONC(=[NH2+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000018250249 361517973 /nfs/dbraw/zinc/51/79/73/361517973.db2.gz ZBEMDQOYQIMGMB-UHFFFAOYSA-N 1 1 299.286 2.381 50 30 CEEAMO C=CC[C@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346131 361651918 /nfs/dbraw/zinc/65/19/18/361651918.db2.gz ZLVUTTHRIHECER-INIZCTEOSA-N 1 1 279.355 2.312 50 30 CEEAMO N#Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000027378042 361652789 /nfs/dbraw/zinc/65/27/89/361652789.db2.gz FIQXMTOEOQPWNT-UHFFFAOYSA-N 1 1 292.386 2.271 50 30 CEEAMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000084636446 363817315 /nfs/dbraw/zinc/81/73/15/363817315.db2.gz HDRHCVFYBUSSEF-ZFWWWQNUSA-N 1 1 274.364 2.172 50 30 CEEAMO C[C@H](CC#N)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000089894465 364013686 /nfs/dbraw/zinc/01/36/86/364013686.db2.gz LQISDFLYTSXBGA-HIFRSBDPSA-N 1 1 266.385 2.339 50 30 CEEAMO CCN(C[C@@H](C)C#N)C(=O)Cn1cc[nH+]c1C(C)C ZINC000097053416 364435027 /nfs/dbraw/zinc/43/50/27/364435027.db2.gz SXFQOBQSCWSRTL-LBPRGKRZSA-N 1 1 262.357 2.015 50 30 CEEAMO CCN(C[C@H](C)C#N)C(=O)Cn1cc[nH+]c1C(C)C ZINC000097053421 364435732 /nfs/dbraw/zinc/43/57/32/364435732.db2.gz SXFQOBQSCWSRTL-GFCCVEGCSA-N 1 1 262.357 2.015 50 30 CEEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)o1 ZINC000097103958 364451406 /nfs/dbraw/zinc/45/14/06/364451406.db2.gz 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CEEAMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000106048970 186100140 /nfs/dbraw/zinc/10/01/40/186100140.db2.gz YWCNYWFCAPZMHV-QWHCGFSZSA-N 1 1 260.337 2.046 50 30 CEEAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000069587582 362982690 /nfs/dbraw/zinc/98/26/90/362982690.db2.gz VDHOYJMAPOLDPW-HOTGVXAUSA-N 1 1 283.375 2.257 50 30 CEEAMO C[C@H](O)[C@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000070003663 363018788 /nfs/dbraw/zinc/01/87/88/363018788.db2.gz IPZDBOGKWYCWNR-XJKSGUPXSA-N 1 1 274.364 2.172 50 30 CEEAMO Cc1cc(N2CCCCC2)nc(N2CC[NH+](C)CC2)c1C#N ZINC000071283237 363109623 /nfs/dbraw/zinc/10/96/23/363109623.db2.gz ZMILPTPFRKWOQM-UHFFFAOYSA-N 1 1 299.422 2.004 50 30 CEEAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cc(C#N)n(C)c2)n1 ZINC000670449847 540415005 /nfs/dbraw/zinc/41/50/05/540415005.db2.gz CVHWAFHVNIDZSP-UHFFFAOYSA-N 1 1 285.395 2.232 50 30 CEEAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C#Cc2ccccc2)N1 ZINC000001408241 283410363 /nfs/dbraw/zinc/41/03/63/283410363.db2.gz 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CC(C)[N@H+](CCOc1cccc(C#N)c1)C[C@H](C)O ZINC000069869818 363008334 /nfs/dbraw/zinc/00/83/34/363008334.db2.gz DYAXVLAKHUOASG-ZDUSSCGKSA-N 1 1 262.353 2.028 50 30 CEEAMO CC(C)(C)C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000070641589 363101953 /nfs/dbraw/zinc/10/19/53/363101953.db2.gz VUQVQZXMAUETJB-UHFFFAOYSA-N 1 1 284.403 2.210 50 30 CEEAMO CC(C)(C)C(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000070641589 363101954 /nfs/dbraw/zinc/10/19/54/363101954.db2.gz VUQVQZXMAUETJB-UHFFFAOYSA-N 1 1 284.403 2.210 50 30 CEEAMO Cc1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc(C#N)n1C ZINC000121218477 538874589 /nfs/dbraw/zinc/87/45/89/538874589.db2.gz SYVQXAKGHYDJRW-ZDUSSCGKSA-N 1 1 283.379 2.308 50 30 CEEAMO Cn1cc(C[N@@H+](C)CCC2(O)CCCC2)cc1C#N ZINC000670455269 540417787 /nfs/dbraw/zinc/41/77/87/540417787.db2.gz YNCIPKFZONNNOY-UHFFFAOYSA-N 1 1 261.369 2.024 50 30 CEEAMO COC(=O)c1cccc(N=C2NC(=[NH2+])c3ccccc32)c1 ZINC000012492415 361386387 /nfs/dbraw/zinc/38/63/87/361386387.db2.gz LNWAAMYRPJLXBM-UHFFFAOYSA-N 1 1 279.299 2.270 50 30 CEEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1ccccn1 ZINC000019771332 361551471 /nfs/dbraw/zinc/55/14/71/361551471.db2.gz HEPIOLOMARTNIC-XMHGGMMESA-N 1 1 280.375 2.233 50 30 CEEAMO N#Cc1ccc(C[NH+]2CCC3(CC2)OCCO3)c(F)c1 ZINC000026935818 361647144 /nfs/dbraw/zinc/64/71/44/361647144.db2.gz VQOQZPJXJFANEG-UHFFFAOYSA-N 1 1 276.311 2.036 50 30 CEEAMO N#Cc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000223929353 370272913 /nfs/dbraw/zinc/27/29/13/370272913.db2.gz QPXLAGXKYWXJSM-CVEARBPZSA-N 1 1 255.365 2.275 50 30 CEEAMO N#Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000223929353 370272918 /nfs/dbraw/zinc/27/29/18/370272918.db2.gz QPXLAGXKYWXJSM-CVEARBPZSA-N 1 1 255.365 2.275 50 30 CEEAMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1cccc(F)c1C#N ZINC000274488835 373940215 /nfs/dbraw/zinc/94/02/15/373940215.db2.gz POZHOALAYHDGLV-ZDUSSCGKSA-N 1 1 290.386 2.135 50 30 CEEAMO C=CCNC(=O)CC[N@H+](C)Cc1cccc2cccnc21 ZINC000252502787 189978933 /nfs/dbraw/zinc/97/89/33/189978933.db2.gz USZOHIVXQRZRQB-UHFFFAOYSA-N 1 1 283.375 2.359 50 30 CEEAMO Cc1ccc(C#N)c(N2CCC3(CC[N@H+](C)C3)CC2)n1 ZINC000065434435 394573699 /nfs/dbraw/zinc/57/36/99/394573699.db2.gz WDQCKIJQTNXNIM-UHFFFAOYSA-N 1 1 270.380 2.184 50 30 CEEAMO Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000092631130 394662264 /nfs/dbraw/zinc/66/22/64/394662264.db2.gz INUNGVKADPIMLC-ZDUSSCGKSA-N 1 1 258.369 2.101 50 30 CEEAMO CCc1noc(C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328587132 400343295 /nfs/dbraw/zinc/34/32/95/400343295.db2.gz RFRVDWWULTYZGG-YPMHNXCESA-N 1 1 292.383 2.117 50 30 CEEAMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000040501456 174297471 /nfs/dbraw/zinc/29/74/71/174297471.db2.gz INEOJYWVNZWDAC-MNOVXSKESA-N 1 1 293.392 2.058 50 30 CEEAMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000040501456 174297472 /nfs/dbraw/zinc/29/74/72/174297472.db2.gz INEOJYWVNZWDAC-MNOVXSKESA-N 1 1 293.392 2.058 50 30 CEEAMO C=C(Cl)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000061050164 175642263 /nfs/dbraw/zinc/64/22/63/175642263.db2.gz 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C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000022841545 287346015 /nfs/dbraw/zinc/34/60/15/287346015.db2.gz IWRKICJLPKZMSP-CQSZACIVSA-N 1 1 277.412 2.451 50 30 CEEAMO N#CCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172287 526446572 /nfs/dbraw/zinc/44/65/72/526446572.db2.gz UNAQDKFOCKOTLA-UHFFFAOYSA-N 1 1 282.391 2.370 50 30 CEEAMO N#CCCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172287 526446576 /nfs/dbraw/zinc/44/65/76/526446576.db2.gz UNAQDKFOCKOTLA-UHFFFAOYSA-N 1 1 282.391 2.370 50 30 CEEAMO N#CCCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172287 526446580 /nfs/dbraw/zinc/44/65/80/526446580.db2.gz UNAQDKFOCKOTLA-UHFFFAOYSA-N 1 1 282.391 2.370 50 30 CEEAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1cc(C#CCO)cs1 ZINC000952977777 616122037 /nfs/dbraw/zinc/12/20/37/616122037.db2.gz VWIDQLGOOHAHPA-HNNXBMFYSA-N 1 1 293.432 2.483 50 30 CEEAMO C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCOC1 ZINC000823709214 810626208 /nfs/dbraw/zinc/62/62/08/810626208.db2.gz JOATVAJZCVQZNW-ZDUSSCGKSA-N 1 1 293.432 2.339 50 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C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046856579 175399870 /nfs/dbraw/zinc/39/98/70/175399870.db2.gz BXMPVHPHDJLTBS-AWEZNQCLSA-N 1 1 285.391 2.391 50 30 CEEAMO C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046856579 175399871 /nfs/dbraw/zinc/39/98/71/175399871.db2.gz BXMPVHPHDJLTBS-AWEZNQCLSA-N 1 1 285.391 2.391 50 30 CEEAMO C=CCC(C)(C)C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067675633 518685477 /nfs/dbraw/zinc/68/54/77/518685477.db2.gz MJIWRESWNGZPBV-CQSZACIVSA-N 1 1 252.402 2.437 50 30 CEEAMO C=CCc1cc(OC)ccc1OCC[NH+]1CCN(C)CC1 ZINC000020118591 527245471 /nfs/dbraw/zinc/24/54/71/527245471.db2.gz KMNBDKQUCUXUID-UHFFFAOYSA-N 1 1 290.407 2.050 50 30 CEEAMO C[N@H+]1CC[C@@H](Oc2cc(C#N)c3ccccc3n2)C1 ZINC000311901234 627713076 /nfs/dbraw/zinc/71/30/76/627713076.db2.gz YDCIOTOFKBXZMS-GFCCVEGCSA-N 1 1 253.305 2.189 50 30 CEEAMO N#Cc1cc(F)ccc1NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000110696660 344270015 /nfs/dbraw/zinc/27/00/15/344270015.db2.gz GHRCOJQVFCKZSB-GJZGRUSLSA-N 1 1 289.354 2.363 50 30 CEEAMO C#CC1(O)CC[NH+](Cc2ccccc2Br)CC1 ZINC000585136024 345006538 /nfs/dbraw/zinc/00/65/38/345006538.db2.gz MRENCCVQHALKAG-UHFFFAOYSA-N 1 1 294.192 2.409 50 30 CEEAMO C=C(Cl)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083690214 539472651 /nfs/dbraw/zinc/47/26/51/539472651.db2.gz BSURFKJEASCNAZ-ZDUSSCGKSA-N 1 1 259.777 2.399 50 30 CEEAMO COC[C@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000091426619 180151940 /nfs/dbraw/zinc/15/19/40/180151940.db2.gz UWSYNVDRLOBRFM-QGZVFWFLSA-N 1 1 288.391 2.168 50 30 CEEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](CO)C[C@H](CO)C2)CC1 ZINC000670453084 540416565 /nfs/dbraw/zinc/41/65/65/540416565.db2.gz DYMXBFMWHXRRNK-IXDOHACOSA-N 1 1 279.424 2.212 50 30 CEEAMO CCCCOc1ccc(/C=N/N2CC[NH+](C)CC2)cc1 ZINC000002955691 361259229 /nfs/dbraw/zinc/25/92/29/361259229.db2.gz HLHONHWLYOHBLF-SAPNQHFASA-N 1 1 275.396 2.447 50 30 CEEAMO CCCCO/C=C/C#C[C@]1(O)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000006310640 361337086 /nfs/dbraw/zinc/33/70/86/361337086.db2.gz 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298.394 2.076 50 30 CEEAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000670457240 540419719 /nfs/dbraw/zinc/41/97/19/540419719.db2.gz GBNXUVYCCNDFLA-AWEZNQCLSA-N 1 1 281.363 2.375 50 30 CEEAMO C=CCc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1C ZINC000002477682 361235528 /nfs/dbraw/zinc/23/55/28/361235528.db2.gz NZNWXLBCYUWQDI-HNNXBMFYSA-N 1 1 272.348 2.360 50 30 CEEAMO c1ccc2sc(N=NC3C[NH+]4CCC3CC4)nc2c1 ZINC000015012001 361464436 /nfs/dbraw/zinc/46/44/36/361464436.db2.gz IIKVWUXHPHYCLG-VBKFSLOCSA-N 1 1 272.377 2.212 50 30 CEEAMO COc1ccc2c3c1O[C@H]1CC(=O)C=C[C@@]31CC[N@H+](C)C2 ZINC000015250922 361467146 /nfs/dbraw/zinc/46/71/46/361467146.db2.gz QENVUHCAYXAROT-YOEHRIQHSA-N 1 1 285.343 2.059 50 30 in-vitro CEEAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000019485753 361538735 /nfs/dbraw/zinc/53/87/35/361538735.db2.gz FQIUNYHYGZAKHI-OAHLLOKOSA-N 1 1 272.348 2.333 50 30 CEEAMO CC[C@@]1(CO)CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000189679355 369558287 /nfs/dbraw/zinc/55/82/87/369558287.db2.gz HFDONIDFMBUPOP-INIZCTEOSA-N 1 1 274.364 2.174 50 30 CEEAMO C[C@H]1CC[N@@H+](CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000408523109 375509417 /nfs/dbraw/zinc/50/94/17/375509417.db2.gz OYTCLXFGBRGMFM-ZDUSSCGKSA-N 1 1 283.375 2.005 50 30 CEEAMO C[C@@H]1CCCC[N@H+]1CCCCNc1nccnc1C#N ZINC000301146171 379204940 /nfs/dbraw/zinc/20/49/40/379204940.db2.gz ATJLSPZPSWXXHL-CYBMUJFWSA-N 1 1 273.384 2.415 50 30 CEEAMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCn1ccc2ccccc21 ZINC000244842388 131083866 /nfs/dbraw/zinc/08/38/66/131083866.db2.gz UPXCYEIXNBDXBV-CQSZACIVSA-N 1 1 285.391 2.264 50 30 CEEAMO C=CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000069455884 394584524 /nfs/dbraw/zinc/58/45/24/394584524.db2.gz RPFUZJAUZCXXMZ-NSHDSACASA-N 1 1 253.367 2.269 50 30 CEEAMO C=CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000069455884 394584527 /nfs/dbraw/zinc/58/45/27/394584527.db2.gz RPFUZJAUZCXXMZ-NSHDSACASA-N 1 1 253.367 2.269 50 30 CEEAMO Cn1ncnc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000097033714 394699324 /nfs/dbraw/zinc/69/93/24/394699324.db2.gz KVMBNNMQDGSUKM-AWEZNQCLSA-N 1 1 299.378 2.458 50 30 CEEAMO Cn1ncnc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000097033714 394699328 /nfs/dbraw/zinc/69/93/28/394699328.db2.gz KVMBNNMQDGSUKM-AWEZNQCLSA-N 1 1 299.378 2.458 50 30 CEEAMO CCc1noc(C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000328587130 400343289 /nfs/dbraw/zinc/34/32/89/400343289.db2.gz RFRVDWWULTYZGG-DGCLKSJQSA-N 1 1 292.383 2.117 50 30 CEEAMO [NH2+]=C(Cc1cccs1)NOC(=O)COc1ccccc1 ZINC000004672926 260016079 /nfs/dbraw/zinc/01/60/79/260016079.db2.gz LIFDICVOKONIQB-UHFFFAOYSA-N 1 1 290.344 2.185 50 30 CEEAMO c1csc(CNC(NCCN2CCCC2)=[NH+]C2CC2)c1 ZINC000069775291 260262955 /nfs/dbraw/zinc/26/29/55/260262955.db2.gz QNAMLMDYKDSQIO-UHFFFAOYSA-N 1 1 292.452 2.042 50 30 CEEAMO C=CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000071799381 264255902 /nfs/dbraw/zinc/25/59/02/264255902.db2.gz FHZRJCGNEXHIAK-MRXNPFEDSA-N 1 1 287.407 2.036 50 30 CEEAMO Cc1ccccc1NC(=O)CO[NH+]=C(N)C1CCCC1 ZINC000032932705 326898580 /nfs/dbraw/zinc/89/85/80/326898580.db2.gz HARXHCNNIMCADM-UHFFFAOYSA-N 1 1 275.352 2.413 50 30 CEEAMO C#CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000069455857 518268277 /nfs/dbraw/zinc/26/82/77/518268277.db2.gz KFZJZPRVQLSALL-UHFFFAOYSA-N 1 1 263.287 2.493 50 30 CEEAMO COc1ccccc1CC(=O)ONC(=[NH2+])c1cccc(C)c1 ZINC000008573006 524388327 /nfs/dbraw/zinc/38/83/27/524388327.db2.gz TWUPELAJMXJFBQ-UHFFFAOYSA-N 1 1 298.342 2.410 50 30 CEEAMO CCCCCCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766144103 645853063 /nfs/dbraw/zinc/85/30/63/645853063.db2.gz VFBUWVFCIZTOHI-INIZCTEOSA-N 1 1 295.471 2.195 50 30 CEEAMO C#CCN(C)C(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000823615926 810623298 /nfs/dbraw/zinc/62/32/98/810623298.db2.gz AOSUIWCBGYUNCM-INIZCTEOSA-N 1 1 288.366 2.444 50 30 CEEAMO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCC#N)C2)c1 ZINC000096448423 230375286 /nfs/dbraw/zinc/37/52/86/230375286.db2.gz BVBJRMDVVUUHNF-CYBMUJFWSA-N 1 1 289.379 2.128 50 30 CEEAMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CCC#N)C2)c1 ZINC000096448423 230375287 /nfs/dbraw/zinc/37/52/87/230375287.db2.gz BVBJRMDVVUUHNF-CYBMUJFWSA-N 1 1 289.379 2.128 50 30 CEEAMO Cc1[nH]c(CN2CCC3(CC[N@@H+](C)C3)CC2)cc1C#N ZINC000584903759 345004520 /nfs/dbraw/zinc/00/45/20/345004520.db2.gz ZYNYMVSUOGYRLW-UHFFFAOYSA-N 1 1 272.396 2.113 50 30 CEEAMO Cc1[nH]c(CN2CCC3(CC[N@H+](C)C3)CC2)cc1C#N ZINC000584903759 345004523 /nfs/dbraw/zinc/00/45/23/345004523.db2.gz ZYNYMVSUOGYRLW-UHFFFAOYSA-N 1 1 272.396 2.113 50 30 CEEAMO C=CCNC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000058244850 362615233 /nfs/dbraw/zinc/61/52/33/362615233.db2.gz ZMNFQPMPHYRYBB-MRXNPFEDSA-N 1 1 270.376 2.441 50 30 CEEAMO CC1CC(C#N)(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000084686133 539521928 /nfs/dbraw/zinc/52/19/28/539521928.db2.gz JSRWDHSGAYQUQX-GULBITTBSA-N 1 1 289.423 2.307 50 30 CEEAMO C=CC[N@@H+](Cc1ccccn1)C1CCN(C(C)=O)CC1 ZINC000065410139 362820400 /nfs/dbraw/zinc/82/04/00/362820400.db2.gz QBSKOTUYJXNUHK-UHFFFAOYSA-N 1 1 273.380 2.081 50 30 CEEAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000092003943 180304170 /nfs/dbraw/zinc/30/41/70/180304170.db2.gz ITGJXQHACWOIOH-KRWDZBQOSA-N 1 1 288.391 2.169 50 30 CEEAMO CN(CC[N@@H+](C)C1CCCC1)c1cccc(C#N)n1 ZINC000670469524 540427090 /nfs/dbraw/zinc/42/70/90/540427090.db2.gz CYUOUBSVKBJURQ-UHFFFAOYSA-N 1 1 258.369 2.264 50 30 CEEAMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000179122339 189170962 /nfs/dbraw/zinc/17/09/62/189170962.db2.gz IWAUBSNINGBLJE-AWEZNQCLSA-N 1 1 276.311 2.225 50 30 CEEAMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000179122339 189170963 /nfs/dbraw/zinc/17/09/63/189170963.db2.gz IWAUBSNINGBLJE-AWEZNQCLSA-N 1 1 276.311 2.225 50 30 CEEAMO N=C1NC(Nc2ccc(Cl)cc2)=[NH+]C2(CCCC2)N1 ZINC000000203783 361145023 /nfs/dbraw/zinc/14/50/23/361145023.db2.gz RAUIGODLXVLRHL-UHFFFAOYSA-N 1 1 277.759 2.105 50 30 CEEAMO [NH2+]=C(NOC(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000004170164 361303365 /nfs/dbraw/zinc/30/33/65/361303365.db2.gz PZCZXNVCKGFOSL-UHFFFAOYSA-N 1 1 264.668 2.410 50 30 CEEAMO C[N@@H+](CCn1ccnc1C#N)Cc1ccc(F)cc1 ZINC000097377172 364496843 /nfs/dbraw/zinc/49/68/43/364496843.db2.gz WRTKEEMJSZXBJR-UHFFFAOYSA-N 1 1 258.300 2.026 50 30 CEEAMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000222103791 370249052 /nfs/dbraw/zinc/24/90/52/370249052.db2.gz ROJIJQSQYHMHNE-HZPDHXFCSA-N 1 1 260.381 2.500 50 30 CEEAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000217541608 370196343 /nfs/dbraw/zinc/19/63/43/370196343.db2.gz NOPBLNOQYPRZFG-UKRRQHHQSA-N 1 1 274.364 2.172 50 30 CEEAMO CC[N@H+]1CC[C@H](CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000243892391 131083497 /nfs/dbraw/zinc/08/34/97/131083497.db2.gz AHQNJMNIZDZBSV-INIZCTEOSA-N 1 1 298.434 2.022 50 30 CEEAMO C#CC1(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000012419830 394464105 /nfs/dbraw/zinc/46/41/05/394464105.db2.gz LJPVWHUZPIPINF-HZPDHXFCSA-N 1 1 279.424 2.432 50 30 CEEAMO C#Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)cc1 ZINC000225640573 394469376 /nfs/dbraw/zinc/46/93/76/394469376.db2.gz UFWYRYDMWFYBAE-XJKSGUPXSA-N 1 1 271.360 2.441 50 30 CEEAMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)cc1 ZINC000225640573 394469377 /nfs/dbraw/zinc/46/93/77/394469377.db2.gz UFWYRYDMWFYBAE-XJKSGUPXSA-N 1 1 271.360 2.441 50 30 CEEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccccc2)cc1 ZINC000004946999 170044206 /nfs/dbraw/zinc/04/42/06/170044206.db2.gz SWYCIOQBACUDPC-UHFFFAOYSA-N 1 1 254.289 2.472 50 30 CEEAMO C=C(C)C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000041125353 174489311 /nfs/dbraw/zinc/48/93/11/174489311.db2.gz XPCPZMBIZGHOET-UHFFFAOYSA-N 1 1 262.328 2.160 50 30 CEEAMO C[C@H](C(=O)N1CCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000071804929 176267297 /nfs/dbraw/zinc/26/72/97/176267297.db2.gz HZUPDJUPIXJRIA-CYBMUJFWSA-N 1 1 271.364 2.001 50 30 CEEAMO C[C@H](C(=O)N1CCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000071804929 176267298 /nfs/dbraw/zinc/26/72/98/176267298.db2.gz HZUPDJUPIXJRIA-CYBMUJFWSA-N 1 1 271.364 2.001 50 30 CEEAMO C=C(C)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000071824877 176271784 /nfs/dbraw/zinc/27/17/84/176271784.db2.gz CZCREUARYODLPD-UHFFFAOYSA-N 1 1 256.353 2.041 50 30 CEEAMO Cc1ccccc1[C@@H](C(=O)N1CCC(C#N)CC1)[NH+](C)C ZINC000095353127 302113550 /nfs/dbraw/zinc/11/35/50/302113550.db2.gz OEXJLHXKGUOULE-INIZCTEOSA-N 1 1 285.391 2.360 50 30 CEEAMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000077436773 327132471 /nfs/dbraw/zinc/13/24/71/327132471.db2.gz PSHUEKUPCBFSNK-SFHVURJKSA-N 1 1 299.418 2.245 50 30 CEEAMO C=CCn1cc(C[NH2+]C(C)(C)CN2CCCC2)c(C)n1 ZINC000055309724 519281740 /nfs/dbraw/zinc/28/17/40/519281740.db2.gz OOHPBHZNHJWDIY-UHFFFAOYSA-N 1 1 276.428 2.342 50 30 CEEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccccc2)c1 ZINC000005092825 524150927 /nfs/dbraw/zinc/15/09/27/524150927.db2.gz FZUXELGPCJBWHH-UHFFFAOYSA-N 1 1 284.315 2.238 50 30 CEEAMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000023282072 631059634 /nfs/dbraw/zinc/05/96/34/631059634.db2.gz ZPIUYRKDMKHOAU-MRXNPFEDSA-N 1 1 262.397 2.453 50 30 CEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)C(C)C ZINC000036101809 361829615 /nfs/dbraw/zinc/82/96/15/361829615.db2.gz NHTORMOUPPGABR-KRWDZBQOSA-N 1 1 275.392 2.216 50 30 CEEAMO [NH2+]=C1N[C@@H](S)Nc2sc3c(c21)CCCCC3 ZINC000036618872 361849453 /nfs/dbraw/zinc/84/94/53/361849453.db2.gz LVOWYRLHIMHXIY-LLVKDONJSA-N 1 1 253.396 2.361 50 30 CEEAMO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@H](C#N)CCC#N)c1 ZINC000071876990 363118069 /nfs/dbraw/zinc/11/80/69/363118069.db2.gz ULNYJLLKPWKRSG-LSDHHAIUSA-N 1 1 271.368 2.099 50 30 CEEAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@H](C#N)CCC#N)c1 ZINC000071876990 363118072 /nfs/dbraw/zinc/11/80/72/363118072.db2.gz ULNYJLLKPWKRSG-LSDHHAIUSA-N 1 1 271.368 2.099 50 30 CEEAMO Cc1cccc([C@@H]2CCCC[N@H+]2CC(=O)NCC#N)c1C ZINC000075999851 363506009 /nfs/dbraw/zinc/50/60/09/363506009.db2.gz LPHZJALJFTZUOW-INIZCTEOSA-N 1 1 285.391 2.470 50 30 CEEAMO COc1nccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000077485530 540544854 /nfs/dbraw/zinc/54/48/54/540544854.db2.gz CEKQOQZGAYXOEM-LLVKDONJSA-N 1 1 283.335 2.069 50 30 CEEAMO NC(=N[N+](=O)[O-])[NH+]=C(Nc1ccccc1)Nc1ccccc1 ZINC000004115566 361301726 /nfs/dbraw/zinc/30/17/26/361301726.db2.gz YNQJOKAZUUBDEO-UHFFFAOYSA-N 1 1 298.306 2.092 50 30 CEEAMO C#C[C@@](C)(CC)OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012421460 361384185 /nfs/dbraw/zinc/38/41/85/361384185.db2.gz WTMIQVNDQDCELX-MSOLQXFVSA-N 1 1 287.403 2.224 50 30 CEEAMO COC(=O)c1ccc(N=C2NC(=[NH2+])c3ccccc32)cc1 ZINC000015228551 361467697 /nfs/dbraw/zinc/46/76/97/361467697.db2.gz XGCFENUGVPQPJV-UHFFFAOYSA-N 1 1 279.299 2.270 50 30 CEEAMO C[C@@H]1C[N@H+](CCCOc2ccccc2C#N)C[C@H](C)O1 ZINC000016489168 361489369 /nfs/dbraw/zinc/48/93/69/361489369.db2.gz CNMVVWHAEWFQKT-OKILXGFUSA-N 1 1 274.364 2.436 50 30 CEEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000023220025 361595688 /nfs/dbraw/zinc/59/56/88/361595688.db2.gz AKLAIQVMTDPBAG-KBXCAEBGSA-N 1 1 299.418 2.488 50 30 CEEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000023220025 361595693 /nfs/dbraw/zinc/59/56/93/361595693.db2.gz AKLAIQVMTDPBAG-KBXCAEBGSA-N 1 1 299.418 2.488 50 30 CEEAMO C[NH+](C)[C@H](C(=O)N1CCC(C#N)CC1)c1cccc(F)c1 ZINC000095384137 364352811 /nfs/dbraw/zinc/35/28/11/364352811.db2.gz JGZQWECNWJPIKX-HNNXBMFYSA-N 1 1 289.354 2.191 50 30 CEEAMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000095943147 364394341 /nfs/dbraw/zinc/39/43/41/364394341.db2.gz NRTCJGRNXDADNO-LBPRGKRZSA-N 1 1 299.403 2.293 50 30 CEEAMO COc1cc(C#N)ccc1C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000097235657 364483964 /nfs/dbraw/zinc/48/39/64/364483964.db2.gz BDFSSPPEJHODQP-SWLSCSKDSA-N 1 1 274.364 2.302 50 30 CEEAMO C[C@@H]1C[N@H+](C2CCN(c3ccc(C#N)cc3)CC2)CCO1 ZINC000241774125 370785579 /nfs/dbraw/zinc/78/55/79/370785579.db2.gz RNGPHYXEGDLLSK-CQSZACIVSA-N 1 1 285.391 2.248 50 30 CEEAMO N#Cc1cccc(C(=O)NCCn2cc[nH+]c2C2CC2)c1 ZINC000225567088 370305528 /nfs/dbraw/zinc/30/55/28/370305528.db2.gz NXYFWMYILBJEBK-UHFFFAOYSA-N 1 1 280.331 2.062 50 30 CEEAMO 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N#Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000036996594 361880552 /nfs/dbraw/zinc/88/05/52/361880552.db2.gz QPXLAGXKYWXJSM-HZPDHXFCSA-N 1 1 255.365 2.275 50 30 CEEAMO C[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000040450122 361994721 /nfs/dbraw/zinc/99/47/21/361994721.db2.gz NSGFVJRJPYWGDI-UHFFFAOYSA-N 1 1 280.169 2.073 50 30 CEEAMO C[N@@H+](CC1CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000083859085 344079274 /nfs/dbraw/zinc/07/92/74/344079274.db2.gz HOJBTBWQMUONBT-HNNXBMFYSA-N 1 1 269.348 2.005 50 30 CEEAMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000053753689 362499711 /nfs/dbraw/zinc/49/97/11/362499711.db2.gz DOXDKAQWLCUEHL-CQSZACIVSA-N 1 1 286.379 2.412 50 30 CEEAMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000065527499 362831527 /nfs/dbraw/zinc/83/15/27/362831527.db2.gz JNDBGKKHGSEDKR-CQSZACIVSA-N 1 1 280.412 2.076 50 30 CEEAMO CC(C)C[N@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000065538627 362832772 /nfs/dbraw/zinc/83/27/72/362832772.db2.gz FDAHDKDKQDUTOQ-CYBMUJFWSA-N 1 1 258.369 2.343 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ZINC000585651246 814639611 /nfs/dbraw/zinc/63/96/11/814639611.db2.gz BNJINEHBVLSWJT-GFCCVEGCSA-N 1 1 263.728 2.080 50 30 CEEAMO C=CCC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000095966193 185045230 /nfs/dbraw/zinc/04/52/30/185045230.db2.gz VSQSUYOFOSFJTE-OAHLLOKOSA-N 1 1 254.418 2.118 50 30 CEEAMO C=CCC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000095966193 185045232 /nfs/dbraw/zinc/04/52/32/185045232.db2.gz VSQSUYOFOSFJTE-OAHLLOKOSA-N 1 1 254.418 2.118 50 30 CEEAMO C=CC[NH+](CC=C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000046703772 362184345 /nfs/dbraw/zinc/18/43/45/362184345.db2.gz GSQDNDOBEKYBBU-UHFFFAOYSA-N 1 1 294.420 2.111 50 30 CEEAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)c1 ZINC000229515735 344567722 /nfs/dbraw/zinc/56/77/22/344567722.db2.gz ULNYJLLKPWKRSG-CABCVRRESA-N 1 1 271.368 2.099 50 30 CEEAMO Cc1cnn(C[C@@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)c1 ZINC000229515735 344567724 /nfs/dbraw/zinc/56/77/24/344567724.db2.gz ULNYJLLKPWKRSG-CABCVRRESA-N 1 1 271.368 2.099 50 30 CEEAMO N#Cc1cc2n(n1)CCC[N@H+](C1Cc3ccccc3C1)C2 ZINC000584889169 344998731 /nfs/dbraw/zinc/99/87/31/344998731.db2.gz GEJJCSWGLCVLJS-UHFFFAOYSA-N 1 1 278.359 2.128 50 30 CEEAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000092003941 180304218 /nfs/dbraw/zinc/30/42/18/180304218.db2.gz ITGJXQHACWOIOH-QGZVFWFLSA-N 1 1 288.391 2.169 50 30 CEEAMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cn2cncn2)c(F)c1 ZINC000069739168 362996302 /nfs/dbraw/zinc/99/63/02/362996302.db2.gz LLETWACTNHOUNH-HNNXBMFYSA-N 1 1 299.353 2.344 50 30 CEEAMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cn2cncn2)c(F)c1 ZINC000069739168 362996308 /nfs/dbraw/zinc/99/63/08/362996308.db2.gz LLETWACTNHOUNH-HNNXBMFYSA-N 1 1 299.353 2.344 50 30 CEEAMO C#Cc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000095467043 540163574 /nfs/dbraw/zinc/16/35/74/540163574.db2.gz MKRMPDRSBFTRLS-STQMWFEESA-N 1 1 271.364 2.224 50 30 CEEAMO N#Cc1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000065565381 283140258 /nfs/dbraw/zinc/14/02/58/283140258.db2.gz WDTXSSXMDTWSFU-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/45/16/16/371451616.db2.gz OUCGHHBRDRHMIP-NSFWBEFFSA-N 1 1 274.393 2.117 50 30 CEEAMO C[C@H](NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1cccs1 ZINC000332247030 377550419 /nfs/dbraw/zinc/55/04/19/377550419.db2.gz ATTZSHHGFOXELW-SRVKXCTJSA-N 1 1 277.393 2.207 50 30 CEEAMO N#CC1CCN(CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000244708014 394496587 /nfs/dbraw/zinc/49/65/87/394496587.db2.gz KLZDYLHSRBOVML-UHFFFAOYSA-N 1 1 298.434 2.044 50 30 CEEAMO C=C(Cl)C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047775854 400184175 /nfs/dbraw/zinc/18/41/75/400184175.db2.gz BJKDEEVCMIQFEJ-STQMWFEESA-N 1 1 259.777 2.399 50 30 CEEAMO CC[NH+]1CCN(C(=S)NCc2ccc(C)cc2)CC1 ZINC000008682746 170345232 /nfs/dbraw/zinc/34/52/32/170345232.db2.gz ZJFLSWIRWPLIIY-UHFFFAOYSA-N 1 1 277.437 2.418 50 30 CEEAMO C=CC[NH+](CC=C)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000040459249 174268858 /nfs/dbraw/zinc/26/88/58/174268858.db2.gz SQBMPPVUUFNHQX-INIZCTEOSA-N 1 1 289.375 2.303 50 30 CEEAMO N#Cc1c(F)cccc1NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000071893769 176291723 /nfs/dbraw/zinc/29/17/23/176291723.db2.gz ILRWLLCZGGDJDA-CYBMUJFWSA-N 1 1 291.370 2.346 50 30 CEEAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000069538606 523853286 /nfs/dbraw/zinc/85/32/86/523853286.db2.gz LMMAZFUBHPTQTN-IRXDYDNUSA-N 1 1 297.402 2.451 50 30 CEEAMO COc1cccc([C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000069492615 524087830 /nfs/dbraw/zinc/08/78/30/524087830.db2.gz NODCLTPLXHWNKT-CQSZACIVSA-N 1 1 273.380 2.287 50 30 CEEAMO Cc1c(C(=O)ONC(=[NH2+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000005077864 525668383 /nfs/dbraw/zinc/66/83/83/525668383.db2.gz IWPLTEXFZLIBDV-UHFFFAOYSA-N 1 1 299.286 2.381 50 30 CEEAMO C=CCN1CC[N@H+]([C@@H](C)Cc2ccc(F)cc2)CCC1=O ZINC000012330270 643077203 /nfs/dbraw/zinc/07/72/03/643077203.db2.gz WFANJEBQYNGMKF-AWEZNQCLSA-N 1 1 290.382 2.477 50 30 CEEAMO C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1(C)COC1 ZINC000823709231 810625367 /nfs/dbraw/zinc/62/53/67/810625367.db2.gz OXOMYHWOYUSCGM-UHFFFAOYSA-N 1 1 293.432 2.339 50 30 CEEAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1cc(C#CCO)cs1 ZINC000828644659 810832857 /nfs/dbraw/zinc/83/28/57/810832857.db2.gz UAEZIQYEOJJTCU-OAHLLOKOSA-N 1 1 293.432 2.483 50 30 CEEAMO C[N@H+]1C[C@@]2(C)CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC000585133389 813698237 /nfs/dbraw/zinc/69/82/37/813698237.db2.gz GWJCTJRMRRDLQF-CALCHBBNSA-N 1 1 269.392 2.332 50 30 CEEAMO C[N@H+](CC(=O)NC1CCCC1)Cc1cccc(C#N)c1 ZINC000032825398 361759374 /nfs/dbraw/zinc/75/93/74/361759374.db2.gz SBSNHICKMONUNV-UHFFFAOYSA-N 1 1 271.364 2.049 50 30 CEEAMO C[N@@H+](CC(=O)NC1CCCC1)Cc1cccc(C#N)c1 ZINC000032825398 361759379 /nfs/dbraw/zinc/75/93/79/361759379.db2.gz SBSNHICKMONUNV-UHFFFAOYSA-N 1 1 271.364 2.049 50 30 CEEAMO N#CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000046517018 362182773 /nfs/dbraw/zinc/18/27/73/362182773.db2.gz KSODVYITVGBVQW-UHFFFAOYSA-N 1 1 299.296 2.226 50 30 CEEAMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000047979994 362236713 /nfs/dbraw/zinc/23/67/13/362236713.db2.gz IWRWFMSSCZEUDG-QGZVFWFLSA-N 1 1 297.402 2.296 50 30 CEEAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)n1 ZINC000106844120 344259141 /nfs/dbraw/zinc/25/91/41/344259141.db2.gz AEYHBYZEENOHMB-HZPDHXFCSA-N 1 1 285.395 2.408 50 30 CEEAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)n1 ZINC000106844120 344259142 /nfs/dbraw/zinc/25/91/42/344259142.db2.gz AEYHBYZEENOHMB-HZPDHXFCSA-N 1 1 285.395 2.408 50 30 CEEAMO CCC#CC[N@H+]1CCC[C@H](c2nccn2CCOC)C1 ZINC000091289268 180122064 /nfs/dbraw/zinc/12/20/64/180122064.db2.gz BSKWVPPIKAFNKW-HNNXBMFYSA-N 1 1 275.396 2.122 50 30 CEEAMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cn2cncn2)c(F)c1 ZINC000069739167 362995900 /nfs/dbraw/zinc/99/59/00/362995900.db2.gz LLETWACTNHOUNH-OAHLLOKOSA-N 1 1 299.353 2.344 50 30 CEEAMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cn2cncn2)c(F)c1 ZINC000069739167 362995902 /nfs/dbraw/zinc/99/59/02/362995902.db2.gz LLETWACTNHOUNH-OAHLLOKOSA-N 1 1 299.353 2.344 50 30 CEEAMO CCOCC[N@H+]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000069969639 363016699 /nfs/dbraw/zinc/01/66/99/363016699.db2.gz FVHTZZBKAACIAC-HNNXBMFYSA-N 1 1 287.407 2.101 50 30 CEEAMO CC[NH+]1CCN(c2nc(N3CCCC3)cc(C)c2C#N)CC1 ZINC000071281031 363109092 /nfs/dbraw/zinc/10/90/92/363109092.db2.gz JTZWGXBOXFMGKT-UHFFFAOYSA-N 1 1 299.422 2.004 50 30 CEEAMO C[C@H]([N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)C1(C)CC1 ZINC000079053530 363570687 /nfs/dbraw/zinc/57/06/87/363570687.db2.gz VBWRFZLTXRBUJN-ZFWWWQNUSA-N 1 1 288.391 2.418 50 30 CEEAMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293490 363710261 /nfs/dbraw/zinc/71/02/61/363710261.db2.gz KNVLHMZWYXNAGS-AWEZNQCLSA-N 1 1 250.386 2.333 50 30 CEEAMO CCOCC[N@H+]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000247060584 371057426 /nfs/dbraw/zinc/05/74/26/371057426.db2.gz FVHTZZBKAACIAC-OAHLLOKOSA-N 1 1 287.407 2.101 50 30 CEEAMO C[N@H+]1CCc2nc(N)c(C#N)c(-c3ccccc3F)c2C1 ZINC000018241833 394467990 /nfs/dbraw/zinc/46/79/90/394467990.db2.gz MJINOXPJZDFROL-UHFFFAOYSA-N 1 1 282.322 2.329 50 30 CEEAMO C#CC[N@@H+](C[C@@H]1C(C)=CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000230311190 394479171 /nfs/dbraw/zinc/47/91/71/394479171.db2.gz WBFLXOZZMDNYRP-BZUAXINKSA-N 1 1 295.448 2.101 50 30 CEEAMO C#CC[N@H+](C[C@@H]1C(C)=CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000230311190 394479174 /nfs/dbraw/zinc/47/91/74/394479174.db2.gz WBFLXOZZMDNYRP-BZUAXINKSA-N 1 1 295.448 2.101 50 30 CEEAMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000177208329 395147598 /nfs/dbraw/zinc/14/75/98/395147598.db2.gz MNZPXLOYWKZGPQ-BBRMVZONSA-N 1 1 285.391 2.211 50 30 CEEAMO C[NH+]1CCN(c2oc(-c3cccs3)nc2C#N)CC1 ZINC000004995423 170051552 /nfs/dbraw/zinc/05/15/52/170051552.db2.gz CWYUBHXFEZCYQB-UHFFFAOYSA-N 1 1 274.349 2.027 50 30 CEEAMO Cc1ccc(NC2=[NH+][C@H](c3ccccc3)NC(=N)N2)cc1 ZINC000005394352 170094202 /nfs/dbraw/zinc/09/42/02/170094202.db2.gz KKTDGOYXSGGDOK-CQSZACIVSA-N 1 1 279.347 2.398 50 30 CEEAMO CCC(N)=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040155643 174195024 /nfs/dbraw/zinc/19/50/24/174195024.db2.gz SIEBCGLTNPQWHC-UHFFFAOYSA-N 1 1 289.257 2.343 50 30 CEEAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(C#N)cc2)C1 ZINC000040534295 174319152 /nfs/dbraw/zinc/31/91/52/174319152.db2.gz DFFQPSBGGAFUGC-ZDUSSCGKSA-N 1 1 271.364 2.020 50 30 CEEAMO C=CCN(CC=C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072274368 176355643 /nfs/dbraw/zinc/35/56/43/176355643.db2.gz LDWZOAYBRGDUNC-OAHLLOKOSA-N 1 1 279.428 2.490 50 30 CEEAMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000097473111 528689129 /nfs/dbraw/zinc/68/91/29/528689129.db2.gz TZZGJOHAXMCYEA-CYBMUJFWSA-N 1 1 291.370 2.266 50 30 CEEAMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000097473111 528689134 /nfs/dbraw/zinc/68/91/34/528689134.db2.gz TZZGJOHAXMCYEA-CYBMUJFWSA-N 1 1 291.370 2.266 50 30 CEEAMO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]NC(N)=S ZINC000263604579 641551223 /nfs/dbraw/zinc/55/12/23/641551223.db2.gz OUCGHHBRDRHMIP-GTSKENENSA-N 1 1 274.393 2.117 50 30 CEEAMO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000585091351 813672910 /nfs/dbraw/zinc/67/29/10/813672910.db2.gz VMCVEDCUSIUVNA-AWEZNQCLSA-N 1 1 280.375 2.327 50 30 CEEAMO N#Cc1cnc(O[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000585651251 814640356 /nfs/dbraw/zinc/64/03/56/814640356.db2.gz BNJINEHBVLSWJT-LBPRGKRZSA-N 1 1 263.728 2.080 50 30 CEEAMO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000095966181 185045633 /nfs/dbraw/zinc/04/56/33/185045633.db2.gz WXCRVQZDBFSKRK-HOTGVXAUSA-N 1 1 261.365 2.387 50 30 CEEAMO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000095966181 185045634 /nfs/dbraw/zinc/04/56/34/185045634.db2.gz WXCRVQZDBFSKRK-HOTGVXAUSA-N 1 1 261.365 2.387 50 30 CEEAMO C[N@@H+](CC(=O)NCCC#N)C1CCCCCCC1 ZINC000058195935 362611968 /nfs/dbraw/zinc/61/19/68/362611968.db2.gz ZEAYHUWBIZRCRP-UHFFFAOYSA-N 1 1 251.374 2.061 50 30 CEEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000058889274 362641772 /nfs/dbraw/zinc/64/17/72/362641772.db2.gz GVTPPSNDJLACEQ-UMVBOHGHSA-N 1 1 265.401 2.161 50 30 CEEAMO COc1ccc(-c2nc(NC(N)=[NH2+])sc2C)cc1OC ZINC000060212689 362657740 /nfs/dbraw/zinc/65/77/40/362657740.db2.gz WCARODGVKLDIFH-UHFFFAOYSA-N 1 1 292.364 2.041 50 30 CEEAMO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)C1CCCC1 ZINC000084691707 539522704 /nfs/dbraw/zinc/52/27/04/539522704.db2.gz USXYXGXGEKHZSS-RYUDHWBXSA-N 1 1 281.400 2.255 50 30 CEEAMO C=CCN1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000063845526 362776622 /nfs/dbraw/zinc/77/66/22/362776622.db2.gz HSLHEHXODCUXRG-DLBZAZTESA-N 1 1 277.456 2.055 50 30 CEEAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc(C#N)c1)C2 ZINC000091410140 180148279 /nfs/dbraw/zinc/14/82/79/180148279.db2.gz XXVSHKPVCSPNSY-ZWKOTPCHSA-N 1 1 299.418 2.101 50 30 CEEAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000091410140 180148280 /nfs/dbraw/zinc/14/82/80/180148280.db2.gz XXVSHKPVCSPNSY-ZWKOTPCHSA-N 1 1 299.418 2.101 50 30 CEEAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000091410140 180148281 /nfs/dbraw/zinc/14/82/81/180148281.db2.gz XXVSHKPVCSPNSY-ZWKOTPCHSA-N 1 1 299.418 2.101 50 30 CEEAMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000135056340 366390954 /nfs/dbraw/zinc/39/09/54/366390954.db2.gz JJVAUEIOSVRURA-ZBFHGGJFSA-N 1 1 282.428 2.158 50 30 CEEAMO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000135056340 366390961 /nfs/dbraw/zinc/39/09/61/366390961.db2.gz JJVAUEIOSVRURA-ZBFHGGJFSA-N 1 1 282.428 2.158 50 30 CEEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000670465597 540423825 /nfs/dbraw/zinc/42/38/25/540423825.db2.gz PJNTVPCIXBJBFP-KRWDZBQOSA-N 1 1 287.403 2.156 50 30 CEEAMO C[NH+]1CCN(/N=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC000002964613 361260183 /nfs/dbraw/zinc/26/01/83/361260183.db2.gz AUFLBQAUGYXBFU-LICLKQGHSA-N 1 1 271.286 2.287 50 30 CEEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1cccs1 ZINC000013543728 361430822 /nfs/dbraw/zinc/43/08/22/361430822.db2.gz YCQUKKCTTOZLLL-UHFFFAOYSA-N 1 1 290.344 2.428 50 30 CEEAMO CC1([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)OCCO1 ZINC000097108686 364453993 /nfs/dbraw/zinc/45/39/93/364453993.db2.gz WQQVFGJVBJTXSA-GFCCVEGCSA-N 1 1 276.336 2.126 50 30 CEEAMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCO1 ZINC000097374117 364493929 /nfs/dbraw/zinc/49/39/29/364493929.db2.gz BQLQXPNXZHLCCS-RISCZKNCSA-N 1 1 298.346 2.265 50 30 CEEAMO C[C@H](CCC#N)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000170607402 367385387 /nfs/dbraw/zinc/38/53/87/367385387.db2.gz KWVCFCCNXHMUQN-CQSZACIVSA-N 1 1 268.364 2.373 50 30 CEEAMO CC(C)([NH2+]Cc1ccc(C#N)cc1F)C(=O)N1CCCC1 ZINC000225419784 370294335 /nfs/dbraw/zinc/29/43/35/370294335.db2.gz ZVPBLIKEJBCSFE-UHFFFAOYSA-N 1 1 289.354 2.188 50 30 CEEAMO C#CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252675513 371468545 /nfs/dbraw/zinc/46/85/45/371468545.db2.gz UFZQCSMMCUVROU-NVXWUHKLSA-N 1 1 299.418 2.172 50 30 CEEAMO COc1c2c(cc3c1[C@H](CC(C)=NO)[N@@H+](C)CC3)OCO2 ZINC000252680288 371468560 /nfs/dbraw/zinc/46/85/60/371468560.db2.gz YOYOJDLMJVKPRB-NSHDSACASA-N 1 1 292.335 2.193 50 30 CEEAMO N#Cc1ccc(CON=C2CC[N@H+](C3CC3)C2)cc1 ZINC000254823708 371540256 /nfs/dbraw/zinc/54/02/56/371540256.db2.gz 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Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)NCC#N ZINC000112357781 364800385 /nfs/dbraw/zinc/80/03/85/364800385.db2.gz GZYXDZPYBFEPFN-MRXNPFEDSA-N 1 1 273.380 2.264 50 30 CEEAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(C#N)c1 ZINC000245499737 370829559 /nfs/dbraw/zinc/82/95/59/370829559.db2.gz YSWLVPDBMYEOGI-IUODEOHRSA-N 1 1 286.379 2.362 50 30 CEEAMO CC[C@]1(CO)CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000189679338 369558625 /nfs/dbraw/zinc/55/86/25/369558625.db2.gz HFDONIDFMBUPOP-MRXNPFEDSA-N 1 1 274.364 2.174 50 30 CEEAMO CC[N@H+]1CC[C@@H](CN(C)Cc2cccc(C#N)c2)C1 ZINC000215909386 370181514 /nfs/dbraw/zinc/18/15/14/370181514.db2.gz KNKACNWLBAHMOU-INIZCTEOSA-N 1 1 257.381 2.332 50 30 CEEAMO C=CCn1cc(C[N@@H+](C)CC[C@@H]2CCCCO2)cn1 ZINC000215925891 370182650 /nfs/dbraw/zinc/18/26/50/370182650.db2.gz XRMRBTGEKFDEBR-HNNXBMFYSA-N 1 1 263.385 2.460 50 30 CEEAMO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CC[N@@H+](C)[C@H]1C ZINC000252489841 371445161 /nfs/dbraw/zinc/44/51/61/371445161.db2.gz KCBOJHFFEDGXBX-AAEUAGOBSA-N 1 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C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000089931612 540159997 /nfs/dbraw/zinc/15/99/97/540159997.db2.gz DXHGWYOFSJVRIC-YPMHNXCESA-N 1 1 262.328 2.290 50 30 CEEAMO N#Cc1cc2n(n1)CC[N@@H+](CCCCOc1ccccc1)C2 ZINC000670451987 540415290 /nfs/dbraw/zinc/41/52/90/540415290.db2.gz FSGFLDYDVJABDF-UHFFFAOYSA-N 1 1 296.374 2.430 50 30 CEEAMO CC[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000030142975 361696172 /nfs/dbraw/zinc/69/61/72/361696172.db2.gz GDNJZZSGLNLXKV-CQSZACIVSA-N 1 1 277.412 2.451 50 30 CEEAMO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090008814 364033938 /nfs/dbraw/zinc/03/39/38/364033938.db2.gz YBLZYXPAGDTQJH-MRXNPFEDSA-N 1 1 272.348 2.048 50 30 CEEAMO N#Cc1ccc(OCC[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090008814 364033940 /nfs/dbraw/zinc/03/39/40/364033940.db2.gz YBLZYXPAGDTQJH-MRXNPFEDSA-N 1 1 272.348 2.048 50 30 CEEAMO CC#CCNC(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000095447201 364382800 /nfs/dbraw/zinc/38/28/00/364382800.db2.gz FHCGBHFANLDCKU-UHFFFAOYSA-N 1 1 296.374 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COCC[C@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000091845850 180270007 /nfs/dbraw/zinc/27/00/07/180270007.db2.gz NAPVJMZQDJPBLC-RHSMWYFYSA-N 1 1 288.391 2.168 50 30 CEEAMO C#CC[N@H+](Cc1c[nH]nc1-c1cccnc1)CC1CC1 ZINC000092099568 180324296 /nfs/dbraw/zinc/32/42/96/180324296.db2.gz VYKKCMRMSZIYRD-UHFFFAOYSA-N 1 1 266.348 2.317 50 30 CEEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000069662805 362988941 /nfs/dbraw/zinc/98/89/41/362988941.db2.gz GEWDOEAXGYDDJX-CQSZACIVSA-N 1 1 299.353 2.201 50 30 CEEAMO COC[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000079091086 363577021 /nfs/dbraw/zinc/57/70/21/363577021.db2.gz PRRRSIXUQKDJCQ-HNNXBMFYSA-N 1 1 274.364 2.295 50 30 CEEAMO CCn1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1C#N ZINC000670455451 540417867 /nfs/dbraw/zinc/41/78/67/540417867.db2.gz NAYYXJKQAQZFNY-AWEZNQCLSA-N 1 1 283.379 2.482 50 30 CEEAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C#N ZINC000003538781 361283740 /nfs/dbraw/zinc/28/37/40/361283740.db2.gz XGWCIFGYABXVRS-GFCCVEGCSA-N 1 1 257.337 2.371 50 30 CEEAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C#N ZINC000003538781 361283743 /nfs/dbraw/zinc/28/37/43/361283743.db2.gz XGWCIFGYABXVRS-GFCCVEGCSA-N 1 1 257.337 2.371 50 30 CEEAMO Cc1ccc(OCC(=O)ONC(=[NH2+])c2ccccc2)cc1 ZINC000004685159 361327158 /nfs/dbraw/zinc/32/71/58/361327158.db2.gz COFZSWMKIQWVTI-UHFFFAOYSA-N 1 1 284.315 2.238 50 30 CEEAMO C[N@H+]1CCCN(c2oc(-c3ccccc3)nc2C#N)CC1 ZINC000082087228 363750429 /nfs/dbraw/zinc/75/04/29/363750429.db2.gz VGRPGRUYLHKAFZ-UHFFFAOYSA-N 1 1 282.347 2.355 50 30 CEEAMO C#C[C@](C)(CC)OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012421461 361383959 /nfs/dbraw/zinc/38/39/59/361383959.db2.gz WTMIQVNDQDCELX-QZTJIDSGSA-N 1 1 287.403 2.224 50 30 CEEAMO COc1ccccc1C[C@@H]1/C(=N/O)C2CC[NH+]1CC2 ZINC000013154389 361420918 /nfs/dbraw/zinc/42/09/18/361420918.db2.gz ZJKDSJQSAHGPTC-UWZWCOGJSA-N 1 1 260.337 2.162 50 30 CEEAMO CCCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000029121246 361681120 /nfs/dbraw/zinc/68/11/20/361681120.db2.gz 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271.364 2.071 50 30 CEEAMO C[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000007785484 170302446 /nfs/dbraw/zinc/30/24/46/170302446.db2.gz NJSQTRVDDSHZNM-UHFFFAOYSA-N 1 1 271.364 2.071 50 30 CEEAMO C[C@H]1C[NH+](CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000020653159 171269146 /nfs/dbraw/zinc/26/91/46/171269146.db2.gz XWXXYLIGPHKWNO-STQMWFEESA-N 1 1 260.337 2.046 50 30 CEEAMO COC[C@H](C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000071810983 176267685 /nfs/dbraw/zinc/26/76/85/176267685.db2.gz PHHWBOBNAJTBSD-LBPRGKRZSA-N 1 1 257.337 2.278 50 30 CEEAMO COC[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000071810983 176267686 /nfs/dbraw/zinc/26/76/86/176267686.db2.gz PHHWBOBNAJTBSD-LBPRGKRZSA-N 1 1 257.337 2.278 50 30 CEEAMO COC(=O)CC[N@@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000071904921 176295788 /nfs/dbraw/zinc/29/57/88/176295788.db2.gz QWUVGVRDMXVBGZ-UHFFFAOYSA-N 1 1 278.327 2.471 50 30 CEEAMO CCOC(=O)c1c(/[NH+]=C/N(C)C)c(C#N)c2n1CCCC2 ZINC000018206461 276296160 /nfs/dbraw/zinc/29/61/60/276296160.db2.gz 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