smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(Nc2cc(C3(C#N)CC3)cc[nH+]2)CC[NH2+]CC1 ZINC001168187889 806389429 /nfs/dbraw/zinc/38/94/29/806389429.db2.gz WSTLKQFQYYRCCS-UHFFFAOYSA-N 2 2 256.353 2.191 20 30 CEEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267050222 803078330 /nfs/dbraw/zinc/07/83/30/803078330.db2.gz NTDUJTWSSUDRSS-MRXNPFEDSA-N 2 2 299.418 2.082 20 30 CEEDLP C=CCn1ccc2c1nc[nH+]c2NCc1cc[nH+]c(N)c1 ZINC001167614673 803202078 /nfs/dbraw/zinc/20/20/78/803202078.db2.gz UOMUUVXEQZZMNY-UHFFFAOYSA-N 2 2 280.335 2.207 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453103806 809036063 /nfs/dbraw/zinc/03/60/63/809036063.db2.gz SGUKLSCSZSLETA-GJZGRUSLSA-N 2 2 264.413 2.184 20 30 CEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001036114579 809859387 /nfs/dbraw/zinc/85/93/87/809859387.db2.gz FFVKGSQNLUNVDW-CZUORRHYSA-N 2 2 299.418 2.080 20 30 CEEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cncc(C#N)c1 ZINC001144084361 813952118 /nfs/dbraw/zinc/95/21/18/813952118.db2.gz AUHJMJPRMWDAMH-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc(C#N)c1 ZINC001144084361 813952121 /nfs/dbraw/zinc/95/21/21/813952121.db2.gz AUHJMJPRMWDAMH-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649692 816775242 /nfs/dbraw/zinc/77/52/42/816775242.db2.gz VEFGXLKBVGLNHP-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649692 816775249 /nfs/dbraw/zinc/77/52/49/816775249.db2.gz VEFGXLKBVGLNHP-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP N#CCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344023 816779510 /nfs/dbraw/zinc/77/95/10/816779510.db2.gz LNWIPBBOLUWHTP-MRXNPFEDSA-N 2 2 291.370 2.242 20 30 CEEDLP N#CCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344023 816779516 /nfs/dbraw/zinc/77/95/16/816779516.db2.gz LNWIPBBOLUWHTP-MRXNPFEDSA-N 2 2 291.370 2.242 20 30 CEEDLP C#CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823037 816798565 /nfs/dbraw/zinc/79/85/65/816798565.db2.gz JWEPKMKYBWYSNY-UHFFFAOYSA-N 2 2 298.390 2.076 20 30 CEEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689790 816890234 /nfs/dbraw/zinc/89/02/34/816890234.db2.gz LEXBGVKBAZMWTC-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000677133204 539190001 /nfs/dbraw/zinc/19/00/01/539190001.db2.gz MTIRCXBIYXYKBX-QGZVFWFLSA-N 2 2 278.440 2.224 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000677133204 539190003 /nfs/dbraw/zinc/19/00/03/539190003.db2.gz MTIRCXBIYXYKBX-QGZVFWFLSA-N 2 2 278.440 2.224 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC000042616558 362106594 /nfs/dbraw/zinc/10/65/94/362106594.db2.gz VSXWJZMWGMPSGI-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000042616558 362106598 /nfs/dbraw/zinc/10/65/98/362106598.db2.gz VSXWJZMWGMPSGI-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961541 344031032 /nfs/dbraw/zinc/03/10/32/344031032.db2.gz KCPBDRMYOBCDRN-AWEZNQCLSA-N 2 2 290.411 2.014 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961541 344031033 /nfs/dbraw/zinc/03/10/33/344031033.db2.gz KCPBDRMYOBCDRN-AWEZNQCLSA-N 2 2 290.411 2.014 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC#N ZINC000601968582 346945815 /nfs/dbraw/zinc/94/58/15/346945815.db2.gz OUQLSAGAKBQSLG-HOCLYGCPSA-N 2 2 257.381 2.258 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC#N ZINC000601968582 346945819 /nfs/dbraw/zinc/94/58/19/346945819.db2.gz OUQLSAGAKBQSLG-HOCLYGCPSA-N 2 2 257.381 2.258 20 30 CEEDLP COc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)ccc1C#N ZINC000602020906 346962291 /nfs/dbraw/zinc/96/22/91/346962291.db2.gz OVHNLKVRSLYSSI-HNNXBMFYSA-N 2 2 273.380 2.270 20 30 CEEDLP COc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)ccc1C#N ZINC000602020906 346962294 /nfs/dbraw/zinc/96/22/94/346962294.db2.gz OVHNLKVRSLYSSI-HNNXBMFYSA-N 2 2 273.380 2.270 20 30 CEEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512392 344166616 /nfs/dbraw/zinc/16/66/16/344166616.db2.gz PAUSHYXXJFHBGG-HZPDHXFCSA-N 2 2 266.429 2.385 20 30 CEEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512392 344166618 /nfs/dbraw/zinc/16/66/18/344166618.db2.gz PAUSHYXXJFHBGG-HZPDHXFCSA-N 2 2 266.429 2.385 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506557 347060062 /nfs/dbraw/zinc/06/00/62/347060062.db2.gz DHFIMGYTOJCIAC-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506557 347060066 /nfs/dbraw/zinc/06/00/66/347060066.db2.gz DHFIMGYTOJCIAC-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCCCC1 ZINC000602519463 347065430 /nfs/dbraw/zinc/06/54/30/347065430.db2.gz YQJSFRFJGLETNK-AWEZNQCLSA-N 2 2 272.396 2.165 20 30 CEEDLP CC[C@H](CC#N)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000054183532 362517586 /nfs/dbraw/zinc/51/75/86/362517586.db2.gz UNVJQOKUGJNKLO-CYBMUJFWSA-N 2 2 258.369 2.332 20 30 CEEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573282 345265155 /nfs/dbraw/zinc/26/51/55/345265155.db2.gz FPHKLMXFNCJBGL-SMDDNHRTSA-N 2 2 293.798 2.068 20 30 CEEDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)cc1 ZINC000591581126 345266829 /nfs/dbraw/zinc/26/68/29/345266829.db2.gz LBRHMHQYHROLLL-SOUVJXGZSA-N 2 2 261.344 2.299 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476959 /nfs/dbraw/zinc/47/69/59/539476959.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 3 2 277.456 2.243 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476962 /nfs/dbraw/zinc/47/69/62/539476962.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 3 2 277.456 2.243 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000594607543 345659726 /nfs/dbraw/zinc/65/97/26/345659726.db2.gz XDQBXGGBJYYEQE-INIZCTEOSA-N 2 2 291.439 2.303 20 30 CEEDLP N#Cc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000594958361 345716561 /nfs/dbraw/zinc/71/65/61/345716561.db2.gz QRJIKJKLASDUSZ-UHFFFAOYSA-N 2 2 278.359 2.480 20 30 CEEDLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1C#N ZINC000600706356 346674408 /nfs/dbraw/zinc/67/44/08/346674408.db2.gz VFOXEOFTOAOQBI-CZUORRHYSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1C#N ZINC000600706356 346674411 /nfs/dbraw/zinc/67/44/11/346674411.db2.gz VFOXEOFTOAOQBI-CZUORRHYSA-N 2 2 257.381 2.426 20 30 CEEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000600713590 346676668 /nfs/dbraw/zinc/67/66/68/346676668.db2.gz JTFADDZADZRMTE-XZJROXQQSA-N 2 2 255.365 2.276 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000603268974 347325711 /nfs/dbraw/zinc/32/57/11/347325711.db2.gz MRKLTNOMCFFQAW-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157423 347629333 /nfs/dbraw/zinc/62/93/33/347629333.db2.gz MKVUOMOPMQLCON-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157423 347629336 /nfs/dbraw/zinc/62/93/36/347629336.db2.gz MKVUOMOPMQLCON-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP CC[C@H](C)[N@H+](C)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000123574747 187099251 /nfs/dbraw/zinc/09/92/51/187099251.db2.gz KVISNZAYHDKFDL-ZDUSSCGKSA-N 2 2 285.395 2.026 20 30 CEEDLP CC[C@H](C)[N@@H+](C)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000123574747 187099252 /nfs/dbraw/zinc/09/92/52/187099252.db2.gz KVISNZAYHDKFDL-ZDUSSCGKSA-N 2 2 285.395 2.026 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000177909031 189078645 /nfs/dbraw/zinc/07/86/45/189078645.db2.gz DQCQDELUUMOMLH-GOSISDBHSA-N 2 2 288.435 2.484 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000093644169 364207065 /nfs/dbraw/zinc/20/70/65/364207065.db2.gz HHPUWMUQUQUALS-UKRRQHHQSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000093644169 364207067 /nfs/dbraw/zinc/20/70/67/364207067.db2.gz HHPUWMUQUQUALS-UKRRQHHQSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644169 364207068 /nfs/dbraw/zinc/20/70/68/364207068.db2.gz HHPUWMUQUQUALS-UKRRQHHQSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644169 364207070 /nfs/dbraw/zinc/20/70/70/364207070.db2.gz HHPUWMUQUQUALS-UKRRQHHQSA-N 2 2 297.406 2.120 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113604 365426874 /nfs/dbraw/zinc/42/68/74/365426874.db2.gz WNTLAZULZDPUNJ-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113604 365426875 /nfs/dbraw/zinc/42/68/75/365426875.db2.gz WNTLAZULZDPUNJ-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113604 365426876 /nfs/dbraw/zinc/42/68/76/365426876.db2.gz WNTLAZULZDPUNJ-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113604 365426877 /nfs/dbraw/zinc/42/68/77/365426877.db2.gz WNTLAZULZDPUNJ-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP N#Cc1cccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000162941668 367206426 /nfs/dbraw/zinc/20/64/26/367206426.db2.gz JNGDGWQIHFQGDO-UHFFFAOYSA-N 2 2 296.374 2.298 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccccc1 ZINC000170905659 367445291 /nfs/dbraw/zinc/44/52/91/367445291.db2.gz ZKBQABIBXJCSDV-CQSZACIVSA-N 2 2 283.379 2.111 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000172845663 367828893 /nfs/dbraw/zinc/82/88/93/367828893.db2.gz QJMSGOBZVSXGQL-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000172845663 367828895 /nfs/dbraw/zinc/82/88/95/367828895.db2.gz QJMSGOBZVSXGQL-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845663 367828900 /nfs/dbraw/zinc/82/89/00/367828900.db2.gz QJMSGOBZVSXGQL-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845663 367828904 /nfs/dbraw/zinc/82/89/04/367828904.db2.gz QJMSGOBZVSXGQL-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836300 369903687 /nfs/dbraw/zinc/90/36/87/369903687.db2.gz JXKZQPJPPQACRK-CYBMUJFWSA-N 2 2 292.452 2.472 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836300 369903692 /nfs/dbraw/zinc/90/36/92/369903692.db2.gz JXKZQPJPPQACRK-CYBMUJFWSA-N 2 2 292.452 2.472 20 30 CEEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000354078479 370206841 /nfs/dbraw/zinc/20/68/41/370206841.db2.gz SHGJELHRJHZHHG-CQSZACIVSA-N 2 2 273.380 2.315 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000354078479 370206848 /nfs/dbraw/zinc/20/68/48/370206848.db2.gz SHGJELHRJHZHHG-CQSZACIVSA-N 2 2 273.380 2.315 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000354078479 370206853 /nfs/dbraw/zinc/20/68/53/370206853.db2.gz SHGJELHRJHZHHG-CQSZACIVSA-N 2 2 273.380 2.315 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000354078479 370206859 /nfs/dbraw/zinc/20/68/59/370206859.db2.gz SHGJELHRJHZHHG-CQSZACIVSA-N 2 2 273.380 2.315 20 30 CEEDLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1C#N ZINC000261637793 371688127 /nfs/dbraw/zinc/68/81/27/371688127.db2.gz HONHEQNOELQRLX-WFASDCNBSA-N 2 2 273.380 2.269 20 30 CEEDLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1C#N ZINC000261637793 371688135 /nfs/dbraw/zinc/68/81/35/371688135.db2.gz HONHEQNOELQRLX-WFASDCNBSA-N 2 2 273.380 2.269 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](CC=C)C1 ZINC000639963204 371700237 /nfs/dbraw/zinc/70/02/37/371700237.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](CC=C)C1 ZINC000639963204 371700240 /nfs/dbraw/zinc/70/02/40/371700240.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@H+](CC=C)C1 ZINC000639963204 371700244 /nfs/dbraw/zinc/70/02/44/371700244.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@@H+](CC=C)C1 ZINC000639963204 371700248 /nfs/dbraw/zinc/70/02/48/371700248.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264065733 371960458 /nfs/dbraw/zinc/96/04/58/371960458.db2.gz BDOFRIZHCJUTCI-CYBMUJFWSA-N 2 2 280.416 2.367 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264070886 371961472 /nfs/dbraw/zinc/96/14/72/371961472.db2.gz DBUOPUKMGNFCJJ-GFCCVEGCSA-N 2 2 268.430 2.055 20 30 CEEDLP CCNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000264075612 371962385 /nfs/dbraw/zinc/96/23/85/371962385.db2.gz FPWVSNDJTRLYFZ-AWEZNQCLSA-N 2 2 294.830 2.401 20 30 CEEDLP CCN(CC)C(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264083906 371964891 /nfs/dbraw/zinc/96/48/91/371964891.db2.gz IGSAJBLTYLFMRE-UHFFFAOYSA-N 2 2 289.358 2.168 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264135472 371976980 /nfs/dbraw/zinc/97/69/80/371976980.db2.gz ZPLFCBRVJHTJHO-UHFFFAOYSA-N 2 2 285.395 2.323 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000353391730 220060074 /nfs/dbraw/zinc/06/00/74/220060074.db2.gz XSUNLCDVIZHDDO-INIZCTEOSA-N 2 2 266.348 2.422 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367123907 373139656 /nfs/dbraw/zinc/13/96/56/373139656.db2.gz ZQJABOMZNRIYGY-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367123907 373139657 /nfs/dbraw/zinc/13/96/57/373139657.db2.gz ZQJABOMZNRIYGY-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000371642888 373939881 /nfs/dbraw/zinc/93/98/81/373939881.db2.gz RPOHBXMHIJJDKO-WBVHZDCISA-N 2 2 274.408 2.299 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000371642888 373939883 /nfs/dbraw/zinc/93/98/83/373939883.db2.gz RPOHBXMHIJJDKO-WBVHZDCISA-N 2 2 274.408 2.299 20 30 CEEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1C#N ZINC000282156013 375415595 /nfs/dbraw/zinc/41/55/95/375415595.db2.gz DAFAMXWYRUXLOT-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1C#N ZINC000282156013 375415603 /nfs/dbraw/zinc/41/56/03/375415603.db2.gz DAFAMXWYRUXLOT-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000282156013 375415607 /nfs/dbraw/zinc/41/56/07/375415607.db2.gz DAFAMXWYRUXLOT-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000282156013 375415613 /nfs/dbraw/zinc/41/56/13/375415613.db2.gz DAFAMXWYRUXLOT-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723775 /nfs/dbraw/zinc/72/37/75/376723775.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723781 /nfs/dbraw/zinc/72/37/81/376723781.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723789 /nfs/dbraw/zinc/72/37/89/376723789.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723795 /nfs/dbraw/zinc/72/37/95/376723795.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP COc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1C#N ZINC000423120133 377014287 /nfs/dbraw/zinc/01/42/87/377014287.db2.gz FQUUGNYKKMLGRJ-LLVKDONJSA-N 2 2 282.347 2.225 20 30 CEEDLP CC(=O)NC1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329798867 377014970 /nfs/dbraw/zinc/01/49/70/377014970.db2.gz XPYSCQYUXIRNLB-WXRRBKDZSA-N 2 2 276.384 2.144 20 30 CEEDLP CC(=O)NC1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329798867 377014982 /nfs/dbraw/zinc/01/49/82/377014982.db2.gz XPYSCQYUXIRNLB-WXRRBKDZSA-N 2 2 276.384 2.144 20 30 CEEDLP C=CCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000565226754 377617483 /nfs/dbraw/zinc/61/74/83/377617483.db2.gz MTXUCDCPNOUSQT-LSDHHAIUSA-N 2 2 252.402 2.089 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180490173 542264091 /nfs/dbraw/zinc/26/40/91/542264091.db2.gz OUSLEWPMAGHMNZ-GFCCVEGCSA-N 2 2 262.401 2.409 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268111974 190377978 /nfs/dbraw/zinc/37/79/78/190377978.db2.gz IUESYVXAVDHMTH-PBHICJAKSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268111974 190377979 /nfs/dbraw/zinc/37/79/79/190377979.db2.gz IUESYVXAVDHMTH-PBHICJAKSA-N 2 2 284.403 2.271 20 30 CEEDLP N#Cc1cccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051953643 394556873 /nfs/dbraw/zinc/55/68/73/394556873.db2.gz WXFINCRUKRORNO-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)c1cccs1 ZINC000261904980 394608935 /nfs/dbraw/zinc/60/89/35/394608935.db2.gz WWEPXMQVJICFIX-GFCCVEGCSA-N 2 2 280.441 2.198 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261997260 394611149 /nfs/dbraw/zinc/61/11/49/394611149.db2.gz ODGKMHLEIGEIGB-LBPRGKRZSA-N 2 2 294.468 2.055 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261997260 394611152 /nfs/dbraw/zinc/61/11/52/394611152.db2.gz ODGKMHLEIGEIGB-LBPRGKRZSA-N 2 2 294.468 2.055 20 30 CEEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000332329112 394636796 /nfs/dbraw/zinc/63/67/96/394636796.db2.gz PIWUXQJSZKXSOI-DGXTUMSLSA-N 2 2 274.412 2.186 20 30 CEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000361028125 394812788 /nfs/dbraw/zinc/81/27/88/394812788.db2.gz GVQCRYGYXKRZJW-UTSKFRMZSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000361028125 394812794 /nfs/dbraw/zinc/81/27/94/394812794.db2.gz GVQCRYGYXKRZJW-UTSKFRMZSA-N 2 2 291.439 2.300 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)n(C)n2)CC1 ZINC000282221340 394913957 /nfs/dbraw/zinc/91/39/57/394913957.db2.gz OXKYDFUMTORCRA-CYBMUJFWSA-N 2 2 262.401 2.030 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000152941112 394999899 /nfs/dbraw/zinc/99/98/99/394999899.db2.gz QVZFJJFBOKZKIL-GDBMZVCRSA-N 3 2 265.445 2.099 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000153885066 395019039 /nfs/dbraw/zinc/01/90/39/395019039.db2.gz KUOPZMPTPFXZRI-HNNXBMFYSA-N 2 2 260.356 2.061 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000153885066 395019042 /nfs/dbraw/zinc/01/90/42/395019042.db2.gz KUOPZMPTPFXZRI-HNNXBMFYSA-N 2 2 260.356 2.061 20 30 CEEDLP Cc1cc(NCC[N@@H+](C)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425216829 395052235 /nfs/dbraw/zinc/05/22/35/395052235.db2.gz SIDFASJFJQFTMG-UHFFFAOYSA-N 2 2 272.396 2.360 20 30 CEEDLP Cc1cc(NCC[N@H+](C)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425216829 395052241 /nfs/dbraw/zinc/05/22/41/395052241.db2.gz SIDFASJFJQFTMG-UHFFFAOYSA-N 2 2 272.396 2.360 20 30 CEEDLP Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425205474 395052420 /nfs/dbraw/zinc/05/24/20/395052420.db2.gz WIGGTMBHWSPYEI-AWEZNQCLSA-N 2 2 286.404 2.460 20 30 CEEDLP Cc1cc(NC[C@H](c2ccccc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425203565 395052453 /nfs/dbraw/zinc/05/24/53/395052453.db2.gz RKMHDOYTKXSEOL-QGZVFWFLSA-N 2 2 280.375 2.398 20 30 CEEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289634258 395081889 /nfs/dbraw/zinc/08/18/89/395081889.db2.gz FHLRKUPXHDWLMI-CQSZACIVSA-N 2 2 294.826 2.441 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000290487854 395105298 /nfs/dbraw/zinc/10/52/98/395105298.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000290487854 395105299 /nfs/dbraw/zinc/10/52/99/395105299.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000290487854 395105300 /nfs/dbraw/zinc/10/53/00/395105300.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000290487854 395105302 /nfs/dbraw/zinc/10/53/02/395105302.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 2 254.377 2.194 20 30 CEEDLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405079128 395288062 /nfs/dbraw/zinc/28/80/62/395288062.db2.gz JWWOZFJZXCINPA-UHFFFAOYSA-N 2 2 252.321 2.079 20 30 CEEDLP Cc1[nH+]ccn1CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405079128 395288064 /nfs/dbraw/zinc/28/80/64/395288064.db2.gz JWWOZFJZXCINPA-UHFFFAOYSA-N 2 2 252.321 2.079 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2COCC)CC1 ZINC000354329335 395326721 /nfs/dbraw/zinc/32/67/21/395326721.db2.gz KZGLBJAPEQFROI-GOEBONIOSA-N 2 2 266.429 2.432 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574336235 395628248 /nfs/dbraw/zinc/62/82/48/395628248.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000574336235 395628249 /nfs/dbraw/zinc/62/82/49/395628249.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574336235 395628250 /nfs/dbraw/zinc/62/82/50/395628250.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574336235 395628251 /nfs/dbraw/zinc/62/82/51/395628251.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC000190862566 153147504 /nfs/dbraw/zinc/14/75/04/153147504.db2.gz ROHSPLSQKYSTCK-UHFFFAOYSA-N 2 2 291.358 2.372 20 30 CEEDLP C=CCCn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)nn1 ZINC000657291893 414836102 /nfs/dbraw/zinc/83/61/02/414836102.db2.gz AAMHYHKLVLQVTR-UHFFFAOYSA-N 2 2 291.443 2.253 20 30 CEEDLP C=CCCn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)nn1 ZINC000657449081 414942240 /nfs/dbraw/zinc/94/22/40/414942240.db2.gz ZDQHXKDPZWNBLY-UHFFFAOYSA-N 2 2 291.443 2.066 20 30 CEEDLP COCC#CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856834 415010686 /nfs/dbraw/zinc/01/06/86/415010686.db2.gz XSWGIDCEISRAOL-UHFFFAOYSA-N 2 2 297.402 2.467 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000071122075 176034980 /nfs/dbraw/zinc/03/49/80/176034980.db2.gz VUHAFFMMOSIPIU-KRWDZBQOSA-N 2 2 287.407 2.005 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000071122075 176034982 /nfs/dbraw/zinc/03/49/82/176034982.db2.gz VUHAFFMMOSIPIU-KRWDZBQOSA-N 2 2 287.407 2.005 20 30 CEEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H](C#N)C3)n2c1 ZINC000335286049 226229349 /nfs/dbraw/zinc/22/93/49/226229349.db2.gz NGPJJJWEVCMXMM-QWHCGFSZSA-N 2 2 254.337 2.425 20 30 CEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330227306 228072907 /nfs/dbraw/zinc/07/29/07/228072907.db2.gz PEJXWXRRYQZUIM-JSGCOSHPSA-N 2 2 288.395 2.344 20 30 CEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330227306 228072909 /nfs/dbraw/zinc/07/29/09/228072909.db2.gz PEJXWXRRYQZUIM-JSGCOSHPSA-N 2 2 288.395 2.344 20 30 CEEDLP C=C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667601656 419728555 /nfs/dbraw/zinc/72/85/55/419728555.db2.gz IOOPKVBDMFTJPE-UHFFFAOYSA-N 2 2 254.337 2.419 20 30 CEEDLP Cc1nc(N2CC[NH+](CC(C)(C)CCC#N)CC2)cc[nH+]1 ZINC000184766431 262028932 /nfs/dbraw/zinc/02/89/32/262028932.db2.gz FQKWODJQPRBJJC-UHFFFAOYSA-N 2 2 287.411 2.237 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])N(C)C1CC1 ZINC000273310234 263015184 /nfs/dbraw/zinc/01/51/84/263015184.db2.gz BTFLPKOEQBCNFF-UHFFFAOYSA-N 2 2 285.395 2.144 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000414883612 263098437 /nfs/dbraw/zinc/09/84/37/263098437.db2.gz NPAGHUULMYCAKZ-LBPRGKRZSA-N 2 2 266.772 2.356 20 30 CEEDLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[NH+](C)C)c(C)[nH+]1 ZINC000331347668 264205691 /nfs/dbraw/zinc/20/56/91/264205691.db2.gz WUIXJCJZTQXNEW-LLVKDONJSA-N 2 2 264.373 2.283 20 30 CEEDLP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425239850 267051879 /nfs/dbraw/zinc/05/18/79/267051879.db2.gz XNWBBELOAKKDGT-CYBMUJFWSA-N 2 2 258.369 2.040 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425239850 267051882 /nfs/dbraw/zinc/05/18/82/267051882.db2.gz XNWBBELOAKKDGT-CYBMUJFWSA-N 2 2 258.369 2.040 20 30 CEEDLP C#CCCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367684233 267108478 /nfs/dbraw/zinc/10/84/78/267108478.db2.gz KJEAPEMEDHFDMJ-UHFFFAOYSA-N 2 2 284.403 2.369 20 30 CEEDLP C#CCCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367684233 267108479 /nfs/dbraw/zinc/10/84/79/267108479.db2.gz KJEAPEMEDHFDMJ-UHFFFAOYSA-N 2 2 284.403 2.369 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270382718 275382522 /nfs/dbraw/zinc/38/25/22/275382522.db2.gz WGQDQSRGBMQJAY-AWEZNQCLSA-N 2 2 253.349 2.442 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270382718 275382523 /nfs/dbraw/zinc/38/25/23/275382523.db2.gz WGQDQSRGBMQJAY-AWEZNQCLSA-N 2 2 253.349 2.442 20 30 CEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330245059 276152691 /nfs/dbraw/zinc/15/26/91/276152691.db2.gz KOQAYHGSLFZJLE-CHWSQXEVSA-N 2 2 276.384 2.029 20 30 CEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330245059 276152692 /nfs/dbraw/zinc/15/26/92/276152692.db2.gz KOQAYHGSLFZJLE-CHWSQXEVSA-N 2 2 276.384 2.029 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000332329120 279349562 /nfs/dbraw/zinc/34/95/62/279349562.db2.gz PIWUXQJSZKXSOI-YIDVYQOGSA-N 2 2 274.412 2.186 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000156276805 289192946 /nfs/dbraw/zinc/19/29/46/289192946.db2.gz PGYMFOCBVOSLDG-BXUZGUMPSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000156276805 289192948 /nfs/dbraw/zinc/19/29/48/289192948.db2.gz PGYMFOCBVOSLDG-BXUZGUMPSA-N 2 2 261.344 2.270 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000571073797 328084176 /nfs/dbraw/zinc/08/41/76/328084176.db2.gz CXYUPRQKDCONES-HNNXBMFYSA-N 2 2 279.347 2.405 20 30 CEEDLP N#CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000559334041 327161180 /nfs/dbraw/zinc/16/11/80/327161180.db2.gz DVPZDUJTHDYKOO-UHFFFAOYSA-N 2 2 258.350 2.327 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000377550791 329018612 /nfs/dbraw/zinc/01/86/12/329018612.db2.gz RUGZTXZAYGHPMZ-OALUTQOASA-N 2 2 298.430 2.258 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000171546637 329076829 /nfs/dbraw/zinc/07/68/29/329076829.db2.gz LUSRTKFIHUKZKI-UHFFFAOYSA-N 2 2 284.407 2.464 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000178061522 329192421 /nfs/dbraw/zinc/19/24/21/329192421.db2.gz HRBZBLHPLUHLMV-RDJZCZTQSA-N 2 2 271.408 2.295 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178061522 329192422 /nfs/dbraw/zinc/19/24/22/329192422.db2.gz HRBZBLHPLUHLMV-RDJZCZTQSA-N 2 2 271.408 2.295 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182640420 329243691 /nfs/dbraw/zinc/24/36/91/329243691.db2.gz HAVRTGLCGOBMRP-ZDUSSCGKSA-N 2 2 282.428 2.347 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000571994253 329935394 /nfs/dbraw/zinc/93/53/94/329935394.db2.gz OEOQMFCPUSSQSZ-KRWDZBQOSA-N 2 2 293.374 2.465 20 30 CEEDLP C[C@H]1CCCN(C(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000262369584 330011129 /nfs/dbraw/zinc/01/11/29/330011129.db2.gz WMIPCYMURFOAKB-QWHCGFSZSA-N 2 2 294.468 2.397 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423113064 330170945 /nfs/dbraw/zinc/17/09/45/330170945.db2.gz YHTLMSLQUIYIFO-GDBMZVCRSA-N 2 2 290.407 2.108 20 30 CEEDLP C#CCCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090397907 330392206 /nfs/dbraw/zinc/39/22/06/330392206.db2.gz WXLIZMBMUSJGGJ-UHFFFAOYSA-N 2 2 271.408 2.439 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453362799 331122829 /nfs/dbraw/zinc/12/28/29/331122829.db2.gz PPQQPTQASFAJHJ-BGTYHANMSA-N 2 2 286.419 2.440 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453362799 331122830 /nfs/dbraw/zinc/12/28/30/331122830.db2.gz PPQQPTQASFAJHJ-BGTYHANMSA-N 2 2 286.419 2.440 20 30 CEEDLP C#CCNC(=O)CC[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000491632037 332254148 /nfs/dbraw/zinc/25/41/48/332254148.db2.gz OLHNYUSXTDFSSH-UHFFFAOYSA-N 2 2 296.374 2.041 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000247950154 334292064 /nfs/dbraw/zinc/29/20/64/334292064.db2.gz DYZCVTCSYVRBNC-RDJZCZTQSA-N 3 2 279.472 2.347 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247950154 334292065 /nfs/dbraw/zinc/29/20/65/334292065.db2.gz DYZCVTCSYVRBNC-RDJZCZTQSA-N 3 2 279.472 2.347 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330307531 528985695 /nfs/dbraw/zinc/98/56/95/528985695.db2.gz LVYHQDQSJJSDOV-AWEZNQCLSA-N 2 2 290.411 2.275 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000728712095 574468847 /nfs/dbraw/zinc/46/88/47/574468847.db2.gz ZOMWLAXYTRMEOS-UKRRQHHQSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000728712095 574468848 /nfs/dbraw/zinc/46/88/48/574468848.db2.gz ZOMWLAXYTRMEOS-UKRRQHHQSA-N 2 2 273.380 2.161 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450397 613789354 /nfs/dbraw/zinc/78/93/54/613789354.db2.gz TZSSMSWVKQMIGG-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450397 613789355 /nfs/dbraw/zinc/78/93/55/613789355.db2.gz TZSSMSWVKQMIGG-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1O ZINC000924538393 625633834 /nfs/dbraw/zinc/63/38/34/625633834.db2.gz JHFMPZPAOGCJIJ-CQSZACIVSA-N 2 2 261.369 2.256 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000902446449 634669230 /nfs/dbraw/zinc/66/92/30/634669230.db2.gz OSLGRNKQNIEAFS-HZSPNIEDSA-N 2 2 290.436 2.415 20 30 CEEDLP Cc1ccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+](C)C)cc1 ZINC000303900308 631093510 /nfs/dbraw/zinc/09/35/10/631093510.db2.gz WSONUYPWEPGLBK-INIZCTEOSA-N 2 2 288.439 2.302 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043571 /nfs/dbraw/zinc/04/35/71/633043571.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 2 299.462 2.052 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043573 /nfs/dbraw/zinc/04/35/73/633043573.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 2 299.462 2.052 20 30 CEEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902850710 634860415 /nfs/dbraw/zinc/86/04/15/634860415.db2.gz RXUSNPMUUNLUBF-CYBMUJFWSA-N 2 2 272.396 2.477 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000817968417 633812171 /nfs/dbraw/zinc/81/21/71/633812171.db2.gz SEANWNJZMPHZEU-JKIFEVAISA-N 2 2 272.392 2.347 20 30 CEEDLP N#CCCC[C@@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823162811 635083011 /nfs/dbraw/zinc/08/30/11/635083011.db2.gz AZRFPQDGAJJKNK-GFCCVEGCSA-N 2 2 282.307 2.078 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848557538 642052510 /nfs/dbraw/zinc/05/25/10/642052510.db2.gz KKIFUBOXALTZND-UHFFFAOYSA-N 2 2 272.392 2.271 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000921689868 642534026 /nfs/dbraw/zinc/53/40/26/642534026.db2.gz IBKAXNOFLRDNJT-SJORKVTESA-N 2 2 299.418 2.128 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000921689868 642534035 /nfs/dbraw/zinc/53/40/35/642534035.db2.gz IBKAXNOFLRDNJT-SJORKVTESA-N 2 2 299.418 2.128 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000775574234 646968257 /nfs/dbraw/zinc/96/82/57/646968257.db2.gz OKJYGDGHWUEYPS-LSDHHAIUSA-N 2 2 264.413 2.020 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000883131019 652372178 /nfs/dbraw/zinc/37/21/78/652372178.db2.gz BPSQDWWXNPSVOR-UHFFFAOYSA-N 2 2 263.410 2.065 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000883131019 652372180 /nfs/dbraw/zinc/37/21/80/652372180.db2.gz BPSQDWWXNPSVOR-UHFFFAOYSA-N 2 2 263.410 2.065 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000883131115 652373114 /nfs/dbraw/zinc/37/31/14/652373114.db2.gz HKRYDQHVSRLTAQ-UHFFFAOYSA-N 2 2 279.453 2.386 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000883131115 652373116 /nfs/dbraw/zinc/37/31/16/652373116.db2.gz HKRYDQHVSRLTAQ-UHFFFAOYSA-N 2 2 279.453 2.386 20 30 CEEDLP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001168319770 806651225 /nfs/dbraw/zinc/65/12/25/806651225.db2.gz XXUCRLBLOWUYOW-JXQTWKCFSA-N 2 2 280.437 2.133 20 30 CEEDLP C[NH+](C)C1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001168319770 806651227 /nfs/dbraw/zinc/65/12/27/806651227.db2.gz XXUCRLBLOWUYOW-JXQTWKCFSA-N 2 2 280.437 2.133 20 30 CEEDLP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633097 804938024 /nfs/dbraw/zinc/93/80/24/804938024.db2.gz XCQJUUXBUNJUJM-ZDUSSCGKSA-N 2 2 298.390 2.191 20 30 CEEDLP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633097 804938028 /nfs/dbraw/zinc/93/80/28/804938028.db2.gz XCQJUUXBUNJUJM-ZDUSSCGKSA-N 2 2 298.390 2.191 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000922016902 809010770 /nfs/dbraw/zinc/01/07/70/809010770.db2.gz JPYAQRWNSVVCQL-HNNXBMFYSA-N 2 2 280.375 2.476 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001172293340 815383950 /nfs/dbraw/zinc/38/39/50/815383950.db2.gz VREMKQFEZCQMAC-AWEZNQCLSA-N 2 2 268.364 2.366 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227220 813234746 /nfs/dbraw/zinc/23/47/46/813234746.db2.gz CKWJZWVNGUDIQN-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546176 813286463 /nfs/dbraw/zinc/28/64/63/813286463.db2.gz XCFFJMOJBBNWQY-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546176 813286468 /nfs/dbraw/zinc/28/64/68/813286468.db2.gz XCFFJMOJBBNWQY-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741758 813319804 /nfs/dbraw/zinc/31/98/04/813319804.db2.gz ZKXOILDPYSGDJJ-QWHCGFSZSA-N 2 2 298.390 2.073 20 30 CEEDLP C=C(C)C[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001091140550 814085145 /nfs/dbraw/zinc/08/51/45/814085145.db2.gz DNLWIILGKRALBB-UHFFFAOYSA-N 2 2 298.390 2.008 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001144581731 814121142 /nfs/dbraw/zinc/12/11/42/814121142.db2.gz ZXNWRGPNHMIITF-UHFFFAOYSA-N 2 2 254.377 2.338 20 30 CEEDLP C=CCC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500619 814136320 /nfs/dbraw/zinc/13/63/20/814136320.db2.gz UEZVGPJDRDAOHK-UHFFFAOYSA-N 2 2 298.390 2.008 20 30 CEEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC001139530844 816040295 /nfs/dbraw/zinc/04/02/95/816040295.db2.gz UEJYCYSURNFCBZ-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC001139530844 816040301 /nfs/dbraw/zinc/04/03/01/816040301.db2.gz UEJYCYSURNFCBZ-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175629456 816245994 /nfs/dbraw/zinc/24/59/94/816245994.db2.gz JXLSEQFOSHUFDB-ZIAGYGMSSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175629456 816246001 /nfs/dbraw/zinc/24/60/01/816246001.db2.gz JXLSEQFOSHUFDB-ZIAGYGMSSA-N 2 2 292.427 2.039 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350816 816399619 /nfs/dbraw/zinc/39/96/19/816399619.db2.gz LBSUJFZDDQZYLO-ZDUSSCGKSA-N 2 2 292.427 2.101 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001140975525 816427872 /nfs/dbraw/zinc/42/78/72/816427872.db2.gz SAYOWERDCXESNG-SFHVURJKSA-N 2 2 298.434 2.174 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001140975525 816427875 /nfs/dbraw/zinc/42/78/75/816427875.db2.gz SAYOWERDCXESNG-SFHVURJKSA-N 2 2 298.434 2.174 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037157783 361900564 /nfs/dbraw/zinc/90/05/64/361900564.db2.gz UGNWNMXXYHOGEP-CHWSQXEVSA-N 2 2 254.337 2.494 20 30 CEEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000091480415 344164798 /nfs/dbraw/zinc/16/47/98/344164798.db2.gz PXORTNHYIRKIFZ-UHFFFAOYSA-N 2 2 271.389 2.442 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602540513 347070214 /nfs/dbraw/zinc/07/02/14/347070214.db2.gz ODWPWWJVFQZMRA-OAHLLOKOSA-N 2 2 291.439 2.325 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+]C2CCC(C#N)CC2)CCSC1 ZINC000602566681 347080937 /nfs/dbraw/zinc/08/09/37/347080937.db2.gz YNJQKHSNMJEKAW-RUXDESIVSA-N 2 2 267.442 2.096 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728150 345276139 /nfs/dbraw/zinc/27/61/39/345276139.db2.gz LAWBKPXDSYIXGW-LSDHHAIUSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728150 345276141 /nfs/dbraw/zinc/27/61/41/345276141.db2.gz LAWBKPXDSYIXGW-LSDHHAIUSA-N 2 2 262.401 2.140 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000592290942 345342519 /nfs/dbraw/zinc/34/25/19/345342519.db2.gz KCKIOSKKCBLPDB-UHFFFAOYSA-N 2 2 251.399 2.273 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000594496369 345638395 /nfs/dbraw/zinc/63/83/95/345638395.db2.gz LPHPSIQSESTPJZ-KSSFIOAISA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517011 345642320 /nfs/dbraw/zinc/64/23/20/345642320.db2.gz UEAIJEOYZIXNLR-BBRMVZONSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517011 345642322 /nfs/dbraw/zinc/64/23/22/345642322.db2.gz UEAIJEOYZIXNLR-BBRMVZONSA-N 2 2 269.392 2.477 20 30 CEEDLP C[NH+](C)C1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594951184 345714322 /nfs/dbraw/zinc/71/43/22/345714322.db2.gz SPNCUDGTOKMGJW-UHFFFAOYSA-N 2 2 269.392 2.426 20 30 CEEDLP CC1(C#N)CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000594993799 345723166 /nfs/dbraw/zinc/72/31/66/345723166.db2.gz QRHLMJIPDNHGFR-WIHSUSGWSA-N 2 2 291.439 2.302 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056808 345736101 /nfs/dbraw/zinc/73/61/01/345736101.db2.gz WTPTVAYMTDOSOA-DYVFJYSZSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056808 345736102 /nfs/dbraw/zinc/73/61/02/345736102.db2.gz WTPTVAYMTDOSOA-DYVFJYSZSA-N 2 2 269.392 2.173 20 30 CEEDLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1C#N ZINC000599267886 346488470 /nfs/dbraw/zinc/48/84/70/346488470.db2.gz SFEXBUQESLLFFG-UHFFFAOYSA-N 2 2 257.381 2.393 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000602716905 347167560 /nfs/dbraw/zinc/16/75/60/347167560.db2.gz UXUDLIXRGPREMH-OAHLLOKOSA-N 2 2 284.407 2.165 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000602716905 347167563 /nfs/dbraw/zinc/16/75/63/347167563.db2.gz UXUDLIXRGPREMH-OAHLLOKOSA-N 2 2 284.407 2.165 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847782 347223516 /nfs/dbraw/zinc/22/35/16/347223516.db2.gz KNMKGMGTRMBXQP-UHFFFAOYSA-N 2 2 293.374 2.061 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847782 347223519 /nfs/dbraw/zinc/22/35/19/347223519.db2.gz KNMKGMGTRMBXQP-UHFFFAOYSA-N 2 2 293.374 2.061 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081572806 363731748 /nfs/dbraw/zinc/73/17/48/363731748.db2.gz BBRSWBIQWBEKOY-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081572806 363731750 /nfs/dbraw/zinc/73/17/50/363731750.db2.gz BBRSWBIQWBEKOY-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081572806 363731751 /nfs/dbraw/zinc/73/17/51/363731751.db2.gz BBRSWBIQWBEKOY-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081572806 363731752 /nfs/dbraw/zinc/73/17/52/363731752.db2.gz BBRSWBIQWBEKOY-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2nccn2C)CC1 ZINC000182869481 189338160 /nfs/dbraw/zinc/33/81/60/189338160.db2.gz MJGQEGAKKDQLEC-AWEZNQCLSA-N 2 2 262.401 2.111 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179471 364584336 /nfs/dbraw/zinc/58/43/36/364584336.db2.gz SPJMFSYLCQZIHZ-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179471 364584340 /nfs/dbraw/zinc/58/43/40/364584340.db2.gz SPJMFSYLCQZIHZ-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179471 364584342 /nfs/dbraw/zinc/58/43/42/364584342.db2.gz SPJMFSYLCQZIHZ-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179471 364584344 /nfs/dbraw/zinc/58/43/44/364584344.db2.gz SPJMFSYLCQZIHZ-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121029837 365513227 /nfs/dbraw/zinc/51/32/27/365513227.db2.gz JXUZHRORZMQWAE-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121029837 365513232 /nfs/dbraw/zinc/51/32/32/365513232.db2.gz JXUZHRORZMQWAE-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000172351023 367724105 /nfs/dbraw/zinc/72/41/05/367724105.db2.gz MKXCFSJDFIABSF-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP C[N@H+](Cc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000172351023 367724112 /nfs/dbraw/zinc/72/41/12/367724112.db2.gz MKXCFSJDFIABSF-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP C[NH+](Cc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000172351023 367724118 /nfs/dbraw/zinc/72/41/18/367724118.db2.gz MKXCFSJDFIABSF-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP C[NH+](Cc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000172351023 367724126 /nfs/dbraw/zinc/72/41/26/367724126.db2.gz MKXCFSJDFIABSF-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000682533884 541678034 /nfs/dbraw/zinc/67/80/34/541678034.db2.gz ILVHCBXLQAIMLZ-HOCLYGCPSA-N 2 2 259.397 2.458 20 30 CEEDLP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000682533884 541678037 /nfs/dbraw/zinc/67/80/37/541678037.db2.gz ILVHCBXLQAIMLZ-HOCLYGCPSA-N 2 2 259.397 2.458 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000346550534 368715092 /nfs/dbraw/zinc/71/50/92/368715092.db2.gz COHQXEIZOFYSLL-HUUCEWRRSA-N 2 2 279.428 2.017 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000346550534 368715096 /nfs/dbraw/zinc/71/50/96/368715096.db2.gz COHQXEIZOFYSLL-HUUCEWRRSA-N 2 2 279.428 2.017 20 30 CEEDLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000191386509 369708298 /nfs/dbraw/zinc/70/82/98/369708298.db2.gz YBKISFRYKHTVTN-INIZCTEOSA-N 2 2 286.423 2.347 20 30 CEEDLP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000191386509 369708305 /nfs/dbraw/zinc/70/83/05/369708305.db2.gz YBKISFRYKHTVTN-INIZCTEOSA-N 2 2 286.423 2.347 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000352810731 369888292 /nfs/dbraw/zinc/88/82/92/369888292.db2.gz OOUYLYYUHJBOQN-LBPRGKRZSA-N 2 2 280.441 2.471 20 30 CEEDLP CC(C)(C)NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264068162 371961662 /nfs/dbraw/zinc/96/16/62/371961662.db2.gz BZUBHPZFBMPMGI-UHFFFAOYSA-N 2 2 273.384 2.198 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264094985 371968975 /nfs/dbraw/zinc/96/89/75/371968975.db2.gz LUQOMHMBHVXGQR-BXUZGUMPSA-N 2 2 280.391 2.131 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264101891 371969885 /nfs/dbraw/zinc/96/98/85/371969885.db2.gz OMLRVQYZOMHGSW-ZYHUDNBSSA-N 2 2 268.430 2.054 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1C#N ZINC000369690420 373490463 /nfs/dbraw/zinc/49/04/63/373490463.db2.gz SWIOIBPUGDAXRO-HNNXBMFYSA-N 2 2 296.374 2.176 20 30 CEEDLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399732447 375365825 /nfs/dbraw/zinc/36/58/25/375365825.db2.gz MKLKJXDVTOGQQV-KRWDZBQOSA-N 2 2 292.386 2.370 20 30 CEEDLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399732447 375365827 /nfs/dbraw/zinc/36/58/27/375365827.db2.gz MKLKJXDVTOGQQV-KRWDZBQOSA-N 2 2 292.386 2.370 20 30 CEEDLP CC[N@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286279618 375896875 /nfs/dbraw/zinc/89/68/75/375896875.db2.gz VRUIZQJPURVSGL-UHFFFAOYSA-N 2 2 286.423 2.068 20 30 CEEDLP CC[N@@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286279618 375896879 /nfs/dbraw/zinc/89/68/79/375896879.db2.gz VRUIZQJPURVSGL-UHFFFAOYSA-N 2 2 286.423 2.068 20 30 CEEDLP C[C@@H](CC#N)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937061 376743837 /nfs/dbraw/zinc/74/38/37/376743837.db2.gz NBTMIWLGVDRIEZ-HNNXBMFYSA-N 2 2 287.407 2.253 20 30 CEEDLP C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937061 376743842 /nfs/dbraw/zinc/74/38/42/376743842.db2.gz NBTMIWLGVDRIEZ-HNNXBMFYSA-N 2 2 287.407 2.253 20 30 CEEDLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329362828 376953711 /nfs/dbraw/zinc/95/37/11/376953711.db2.gz IZGAIEWTVZEUFU-KGLIPLIRSA-N 2 2 290.411 2.134 20 30 CEEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329362828 376953718 /nfs/dbraw/zinc/95/37/18/376953718.db2.gz IZGAIEWTVZEUFU-KGLIPLIRSA-N 2 2 290.411 2.134 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000264943806 190146446 /nfs/dbraw/zinc/14/64/46/190146446.db2.gz HRNGHNGCUAWBLH-OAHLLOKOSA-N 2 2 283.375 2.464 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000566117889 377728299 /nfs/dbraw/zinc/72/82/99/377728299.db2.gz XUEPVNZYZGNTFT-KGLIPLIRSA-N 2 2 264.417 2.386 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294958882 378031428 /nfs/dbraw/zinc/03/14/28/378031428.db2.gz JCLDHDWZJUXIPS-ZDUSSCGKSA-N 2 2 275.352 2.201 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294958882 378031433 /nfs/dbraw/zinc/03/14/33/378031433.db2.gz JCLDHDWZJUXIPS-ZDUSSCGKSA-N 2 2 275.352 2.201 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449386947 378209410 /nfs/dbraw/zinc/20/94/10/378209410.db2.gz JZQGQTGLRDAJQA-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449386947 378209419 /nfs/dbraw/zinc/20/94/19/378209419.db2.gz JZQGQTGLRDAJQA-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392417 378211235 /nfs/dbraw/zinc/21/12/35/378211235.db2.gz KDDGWZBDYKBGFL-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392417 378211238 /nfs/dbraw/zinc/21/12/38/378211238.db2.gz KDDGWZBDYKBGFL-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392420 378211691 /nfs/dbraw/zinc/21/16/91/378211691.db2.gz KDDGWZBDYKBGFL-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392420 378211695 /nfs/dbraw/zinc/21/16/95/378211695.db2.gz KDDGWZBDYKBGFL-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000104155406 394718491 /nfs/dbraw/zinc/71/84/91/394718491.db2.gz LNTKWZBBWWHQIL-HNNXBMFYSA-N 2 2 292.427 2.002 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCSC1 ZINC000361432523 394828934 /nfs/dbraw/zinc/82/89/34/394828934.db2.gz PIOWDPULKLJTMX-MCIONIFRSA-N 2 2 267.442 2.096 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000373339831 395059576 /nfs/dbraw/zinc/05/95/76/395059576.db2.gz HMMATPDCNLQXCZ-INIZCTEOSA-N 2 2 265.360 2.277 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccn(C)n2)CC1 ZINC000349462010 395168250 /nfs/dbraw/zinc/16/82/50/395168250.db2.gz QXTATWWENKIBQS-AWEZNQCLSA-N 2 2 262.401 2.111 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000294865262 395279349 /nfs/dbraw/zinc/27/93/49/395279349.db2.gz CGSCXEARKYUQBV-LLVKDONJSA-N 2 2 282.334 2.276 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000294865262 395279354 /nfs/dbraw/zinc/27/93/54/395279354.db2.gz CGSCXEARKYUQBV-LLVKDONJSA-N 2 2 282.334 2.276 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353413403 395297113 /nfs/dbraw/zinc/29/71/13/395297113.db2.gz PMJJCSMWXCDCJX-SJLPKXTDSA-N 2 2 299.418 2.246 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353413403 395297118 /nfs/dbraw/zinc/29/71/18/395297118.db2.gz PMJJCSMWXCDCJX-SJLPKXTDSA-N 2 2 299.418 2.246 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464052 153176663 /nfs/dbraw/zinc/17/66/63/153176663.db2.gz NDYCOLYIWMEHBN-AWEZNQCLSA-N 2 2 297.406 2.085 20 30 CEEDLP C=CCOc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663502892 414972882 /nfs/dbraw/zinc/97/28/82/414972882.db2.gz ZETZVLLISZYHHJ-UHFFFAOYSA-N 2 2 258.365 2.093 20 30 CEEDLP C=CCCC(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657805443 415085648 /nfs/dbraw/zinc/08/56/48/415085648.db2.gz OYJFUXPSRINHQO-UHFFFAOYSA-N 2 2 250.390 2.321 20 30 CEEDLP C=CCC(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000311079148 262192714 /nfs/dbraw/zinc/19/27/14/262192714.db2.gz NZSADDLOTVPQAA-UHFFFAOYSA-N 2 2 250.390 2.178 20 30 CEEDLP Cc1nc(CC(N)=[NH+]OCCC[NH+]2CCCCC2)cs1 ZINC000281211742 263067239 /nfs/dbraw/zinc/06/72/39/263067239.db2.gz QGPHZDUAZDBFNC-UHFFFAOYSA-N 2 2 296.440 2.159 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414942149 263151689 /nfs/dbraw/zinc/15/16/89/263151689.db2.gz ZKXMQWNKZMEXMJ-UKRRQHHQSA-N 2 2 290.407 2.348 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414942151 263151726 /nfs/dbraw/zinc/15/17/26/263151726.db2.gz ZKXMQWNKZMEXMJ-ZFWWWQNUSA-N 2 2 290.407 2.348 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415070539 263259547 /nfs/dbraw/zinc/25/95/47/263259547.db2.gz QVQDLRFFWIIDQN-HNNXBMFYSA-N 2 2 260.381 2.483 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000275976901 274545570 /nfs/dbraw/zinc/54/55/70/274545570.db2.gz DGSRICBVXVNGOD-CQSZACIVSA-N 2 2 295.390 2.175 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154296802 289140719 /nfs/dbraw/zinc/14/07/19/289140719.db2.gz QCIADVPPKSSGCV-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000154296802 289140720 /nfs/dbraw/zinc/14/07/20/289140720.db2.gz QCIADVPPKSSGCV-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154296802 289140721 /nfs/dbraw/zinc/14/07/21/289140721.db2.gz QCIADVPPKSSGCV-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154296802 289140722 /nfs/dbraw/zinc/14/07/22/289140722.db2.gz QCIADVPPKSSGCV-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC1CCCC1 ZINC000261880847 328143097 /nfs/dbraw/zinc/14/30/97/328143097.db2.gz QYRHSQFTZCFRFV-UHFFFAOYSA-N 2 2 285.395 2.192 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414935089 328275527 /nfs/dbraw/zinc/27/55/27/328275527.db2.gz CAGHVIVRKFOBOB-CZUORRHYSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422909389 330159641 /nfs/dbraw/zinc/15/96/41/330159641.db2.gz NXZBQQDBURHMET-GDBMZVCRSA-N 2 2 290.407 2.108 20 30 CEEDLP C=CCC1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000423151173 330172870 /nfs/dbraw/zinc/17/28/70/330172870.db2.gz CUAPOKCPTKWADV-GJZGRUSLSA-N 2 2 266.429 2.480 20 30 CEEDLP C=C(C)COCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090451359 330392735 /nfs/dbraw/zinc/39/27/35/330392735.db2.gz RPQKSLJZACJHAU-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP C=C(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(CO)o1 ZINC000459460664 331282606 /nfs/dbraw/zinc/28/26/06/331282606.db2.gz IVXJJOZLDZGTCC-UHFFFAOYSA-N 2 2 289.379 2.126 20 30 CEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)CCC2 ZINC000576082765 335150321 /nfs/dbraw/zinc/15/03/21/335150321.db2.gz UPNGPNKBILWYKQ-ZIAGYGMSSA-N 2 2 271.368 2.102 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248481556 334303692 /nfs/dbraw/zinc/30/36/92/334303692.db2.gz BGIGFKVRBOBWFI-DJIMGWMZSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248481556 334303693 /nfs/dbraw/zinc/30/36/93/334303693.db2.gz BGIGFKVRBOBWFI-DJIMGWMZSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000344370817 526952258 /nfs/dbraw/zinc/95/22/58/526952258.db2.gz NONNSPPEDNKIAI-HIFRSBDPSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000344370817 526952262 /nfs/dbraw/zinc/95/22/62/526952262.db2.gz NONNSPPEDNKIAI-HIFRSBDPSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])cc(OC)c1O ZINC000347055896 527236468 /nfs/dbraw/zinc/23/64/68/527236468.db2.gz UTQXZFOVMOQUSJ-AWEZNQCLSA-N 2 2 276.380 2.052 20 30 CEEDLP C=CCc1cc(C[N@H+]2CCC[C@H]2C[NH3+])cc(OC)c1O ZINC000347055896 527236473 /nfs/dbraw/zinc/23/64/73/527236473.db2.gz UTQXZFOVMOQUSJ-AWEZNQCLSA-N 2 2 276.380 2.052 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000728712093 574468835 /nfs/dbraw/zinc/46/88/35/574468835.db2.gz ZOMWLAXYTRMEOS-DZGCQCFKSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000728712093 574468836 /nfs/dbraw/zinc/46/88/36/574468836.db2.gz ZOMWLAXYTRMEOS-DZGCQCFKSA-N 2 2 273.380 2.161 20 30 CEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000747527996 575171710 /nfs/dbraw/zinc/17/17/10/575171710.db2.gz HOIGGDOMVMTDPE-HKUYNNGSSA-N 2 2 298.430 2.066 20 30 CEEDLP C#CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000747527996 575171711 /nfs/dbraw/zinc/17/17/11/575171711.db2.gz HOIGGDOMVMTDPE-HKUYNNGSSA-N 2 2 298.430 2.066 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902434343 634655032 /nfs/dbraw/zinc/65/50/32/634655032.db2.gz NQFSOHBYCBDTHG-KSZJFAHPSA-N 2 2 255.365 2.283 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000821214253 634657672 /nfs/dbraw/zinc/65/76/72/634657672.db2.gz PHCBHHINUUHUAY-UHFFFAOYSA-N 2 2 289.404 2.448 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000821214253 634657678 /nfs/dbraw/zinc/65/76/78/634657678.db2.gz PHCBHHINUUHUAY-UHFFFAOYSA-N 2 2 289.404 2.448 20 30 CEEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000261898824 629308638 /nfs/dbraw/zinc/30/86/38/629308638.db2.gz RHZFZRFQMDBVKE-HRCADAONSA-N 2 2 292.471 2.216 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989182404 631744517 /nfs/dbraw/zinc/74/45/17/631744517.db2.gz LQRLTBVOLMNWET-UONOGXRCSA-N 2 2 298.390 2.103 20 30 CEEDLP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903394584 635090096 /nfs/dbraw/zinc/09/00/96/635090096.db2.gz DYGLIMZSMYFBGX-KSSFIOAISA-N 2 2 299.418 2.147 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903559969 635163552 /nfs/dbraw/zinc/16/35/52/635163552.db2.gz PKMJTHHXZJBCRC-HNNXBMFYSA-N 2 2 257.381 2.344 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903559969 635163554 /nfs/dbraw/zinc/16/35/54/635163554.db2.gz PKMJTHHXZJBCRC-HNNXBMFYSA-N 2 2 257.381 2.344 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C)c2)CC1 ZINC000905094099 635829488 /nfs/dbraw/zinc/82/94/88/635829488.db2.gz CPBLFCXGWVFIMI-KRWDZBQOSA-N 2 2 274.408 2.268 20 30 CEEDLP C[N@H+](CCCC/[NH+]=C/c1ccc(O)c(O)c1O)C1CC1 ZINC000840709762 639527448 /nfs/dbraw/zinc/52/74/48/639527448.db2.gz LNNLDLZWWJOYHP-MHWRWJLKSA-N 2 2 278.352 2.097 20 30 CEEDLP C[N@@H+](CCCC/[NH+]=C/c1ccc(O)c(O)c1O)C1CC1 ZINC000840709762 639527449 /nfs/dbraw/zinc/52/74/49/639527449.db2.gz LNNLDLZWWJOYHP-MHWRWJLKSA-N 2 2 278.352 2.097 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000848986440 642209242 /nfs/dbraw/zinc/20/92/42/642209242.db2.gz RUZBFIZUGLLTAU-CYBMUJFWSA-N 2 2 280.441 2.431 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773006464 646695050 /nfs/dbraw/zinc/69/50/50/646695050.db2.gz YRLNKRGMYUUZMA-GXTWGEPZSA-N 2 2 274.836 2.466 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000773006464 646695051 /nfs/dbraw/zinc/69/50/51/646695051.db2.gz YRLNKRGMYUUZMA-GXTWGEPZSA-N 2 2 274.836 2.466 20 30 CEEDLP C#CCCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201937 651400918 /nfs/dbraw/zinc/40/09/18/651400918.db2.gz VGLLOKLELBCKMQ-QGZVFWFLSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201937 651400920 /nfs/dbraw/zinc/40/09/20/651400920.db2.gz VGLLOKLELBCKMQ-QGZVFWFLSA-N 2 2 278.440 2.413 20 30 CEEDLP N#CCCOCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569800 651462008 /nfs/dbraw/zinc/46/20/08/651462008.db2.gz PDGVMJIAGJWXQO-MRXNPFEDSA-N 2 2 284.363 2.144 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000883131038 652372165 /nfs/dbraw/zinc/37/21/65/652372165.db2.gz CUSXAYACOLRTIO-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000883131038 652372169 /nfs/dbraw/zinc/37/21/69/652372169.db2.gz CUSXAYACOLRTIO-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC#N)CC1 ZINC000426002099 804744503 /nfs/dbraw/zinc/74/45/03/804744503.db2.gz NJERQJVLNRGVCT-UHFFFAOYSA-N 2 2 286.423 2.222 20 30 CEEDLP CCCCCCCC[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001234997043 807758928 /nfs/dbraw/zinc/75/89/28/807758928.db2.gz HYKSNEWJGXKXJO-MRXNPFEDSA-N 2 2 284.444 2.038 20 30 CEEDLP CCCCCCCC[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001234997043 807758931 /nfs/dbraw/zinc/75/89/31/807758931.db2.gz HYKSNEWJGXKXJO-MRXNPFEDSA-N 2 2 284.444 2.038 20 30 CEEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192719 809228240 /nfs/dbraw/zinc/22/82/40/809228240.db2.gz VXIKAPQIDDSFLL-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192719 809228244 /nfs/dbraw/zinc/22/82/44/809228244.db2.gz VXIKAPQIDDSFLL-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192718 809228639 /nfs/dbraw/zinc/22/86/39/809228639.db2.gz VXIKAPQIDDSFLL-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192718 809228644 /nfs/dbraw/zinc/22/86/44/809228644.db2.gz VXIKAPQIDDSFLL-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001034689212 809665725 /nfs/dbraw/zinc/66/57/25/809665725.db2.gz NODGQZPGBMLLKU-HDJSIYSDSA-N 2 2 298.390 2.151 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001036080029 809856765 /nfs/dbraw/zinc/85/67/65/809856765.db2.gz WXEPKOGZOZLBKA-OCCSQVGLSA-N 2 2 298.390 2.189 20 30 CEEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232536 811359154 /nfs/dbraw/zinc/35/91/54/811359154.db2.gz KCOYIYZHTSMLOC-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001113528726 812269329 /nfs/dbraw/zinc/26/93/29/812269329.db2.gz NMFULNGQCONJRH-UHFFFAOYSA-N 2 2 295.471 2.219 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054797845 812651074 /nfs/dbraw/zinc/65/10/74/812651074.db2.gz MHLKWNFDUOWIPK-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037422 813356505 /nfs/dbraw/zinc/35/65/05/813356505.db2.gz IZJLHQPRFMNONL-TZMCWYRMSA-N 2 2 287.407 2.127 20 30 CEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153330 814006479 /nfs/dbraw/zinc/00/64/79/814006479.db2.gz XJKMKZJMTGUZAP-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153330 814006481 /nfs/dbraw/zinc/00/64/81/814006481.db2.gz XJKMKZJMTGUZAP-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP Cc1[nH+]cn([C@H](C)Cc2cccc(C#N)c2)c1CC[NH3+] ZINC001171181208 814068799 /nfs/dbraw/zinc/06/87/99/814068799.db2.gz HXIPWNOAPHMKRO-GFCCVEGCSA-N 2 2 268.364 2.368 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579837 816038161 /nfs/dbraw/zinc/03/81/61/816038161.db2.gz CDVCOAOJLDFXLT-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000602010020 346957554 /nfs/dbraw/zinc/95/75/54/346957554.db2.gz AAQNXLIYXMJBQA-WCQYABFASA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@H+]1C ZINC000602010020 346957557 /nfs/dbraw/zinc/95/75/57/346957557.db2.gz AAQNXLIYXMJBQA-WCQYABFASA-N 2 2 261.344 2.270 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](C)CCC#N)CC2)c1 ZINC000602454110 347039769 /nfs/dbraw/zinc/03/97/69/347039769.db2.gz OPVSJJZFCSWQIE-HNNXBMFYSA-N 2 2 272.396 2.452 20 30 CEEDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)CCC#N)CC2)c1 ZINC000602460660 347041921 /nfs/dbraw/zinc/04/19/21/347041921.db2.gz AKDVTXKEZRCLKF-AWEZNQCLSA-N 2 2 288.395 2.152 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000602514712 347063402 /nfs/dbraw/zinc/06/34/02/347063402.db2.gz LQDXYZZNLBLOMV-CVEARBPZSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000602514712 347063405 /nfs/dbraw/zinc/06/34/05/347063405.db2.gz LQDXYZZNLBLOMV-CVEARBPZSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591577786 345266173 /nfs/dbraw/zinc/26/61/73/345266173.db2.gz GXLUKFXFEFMODT-FZMZJTMJSA-N 2 2 261.344 2.490 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)c1 ZINC000593704034 345524683 /nfs/dbraw/zinc/52/46/83/345524683.db2.gz YHMLAXZUVACBKB-GOSISDBHSA-N 2 2 299.418 2.291 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000594496368 345638368 /nfs/dbraw/zinc/63/83/68/345638368.db2.gz LPHPSIQSESTPJZ-KDOFPFPSSA-N 2 2 299.418 2.462 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000594607544 345659864 /nfs/dbraw/zinc/65/98/64/345659864.db2.gz XDQBXGGBJYYEQE-MRXNPFEDSA-N 2 2 291.439 2.303 20 30 CEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584671 345652162 /nfs/dbraw/zinc/65/21/62/345652162.db2.gz ALODLVNVBSQNGA-RHSMWYFYSA-N 2 2 299.418 2.294 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1C ZINC000594939531 345710612 /nfs/dbraw/zinc/71/06/12/345710612.db2.gz SBAXJKZQJSYZKN-MRXNPFEDSA-N 2 2 266.348 2.377 20 30 CEEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C#N)c1)C2 ZINC000595507980 345799630 /nfs/dbraw/zinc/79/96/30/345799630.db2.gz SNTYRUIOASKIDF-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C#N)c1)C2 ZINC000595507980 345799633 /nfs/dbraw/zinc/79/96/33/345799633.db2.gz SNTYRUIOASKIDF-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595507980 345799636 /nfs/dbraw/zinc/79/96/36/345799636.db2.gz SNTYRUIOASKIDF-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000595507980 345799638 /nfs/dbraw/zinc/79/96/38/345799638.db2.gz SNTYRUIOASKIDF-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863263 345901439 /nfs/dbraw/zinc/90/14/39/345901439.db2.gz MHDFEBRPBRMEEW-KSSFIOAISA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863263 345901441 /nfs/dbraw/zinc/90/14/41/345901441.db2.gz MHDFEBRPBRMEEW-KSSFIOAISA-N 2 2 299.418 2.150 20 30 CEEDLP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000320800867 539500448 /nfs/dbraw/zinc/50/04/48/539500448.db2.gz VQXNCLUFBRDBIY-AWEZNQCLSA-N 2 2 271.364 2.207 20 30 CEEDLP N#C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000061892055 362697636 /nfs/dbraw/zinc/69/76/36/362697636.db2.gz YRRDXCPWNOVEEI-HIFRSBDPSA-N 2 2 270.380 2.332 20 30 CEEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000062254452 362716729 /nfs/dbraw/zinc/71/67/29/362716729.db2.gz WSAFQDVOWSDHRS-ZDUSSCGKSA-N 2 2 254.337 2.181 20 30 CEEDLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600774606 346687947 /nfs/dbraw/zinc/68/79/47/346687947.db2.gz RRQREJQIPQDLER-MRXNPFEDSA-N 2 2 271.408 2.484 20 30 CEEDLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600774606 346687952 /nfs/dbraw/zinc/68/79/52/346687952.db2.gz RRQREJQIPQDLER-MRXNPFEDSA-N 2 2 271.408 2.484 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000152354676 188012305 /nfs/dbraw/zinc/01/23/05/188012305.db2.gz OTSSSVARMZUAQR-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000152354676 188012306 /nfs/dbraw/zinc/01/23/06/188012306.db2.gz OTSSSVARMZUAQR-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000152354676 188012307 /nfs/dbraw/zinc/01/23/07/188012307.db2.gz OTSSSVARMZUAQR-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000152354676 188012309 /nfs/dbraw/zinc/01/23/09/188012309.db2.gz OTSSSVARMZUAQR-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)[NH+]1CCC(C)CC1 ZINC000578316338 366475913 /nfs/dbraw/zinc/47/59/13/366475913.db2.gz XEUFXEQYRQTBIV-LSDHHAIUSA-N 2 2 262.401 2.140 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](CNCc1c[nH+]cn1C)C(C)C ZINC000150951103 366608121 /nfs/dbraw/zinc/60/81/21/366608121.db2.gz QMRWUNOUCWMWDQ-INIZCTEOSA-N 2 2 276.428 2.208 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000579728617 366694119 /nfs/dbraw/zinc/69/41/19/366694119.db2.gz MGNCOYDFOMOJEW-UHFFFAOYSA-N 2 2 293.374 2.425 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CC)c2)CC1 ZINC000112099004 364773658 /nfs/dbraw/zinc/77/36/58/364773658.db2.gz KSXXABWBZQMDIQ-UHFFFAOYSA-N 2 2 262.401 2.033 20 30 CEEDLP C=CCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000117879529 365130067 /nfs/dbraw/zinc/13/00/67/365130067.db2.gz AIYFRBVLOQWGSA-UHFFFAOYSA-N 2 2 261.369 2.178 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000584048306 367133830 /nfs/dbraw/zinc/13/38/30/367133830.db2.gz KWUXBYJLEBIANH-DOMZBBRYSA-N 2 2 298.346 2.187 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245445262 370821689 /nfs/dbraw/zinc/82/16/89/370821689.db2.gz KFORVRABSIWZRD-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245445262 370821691 /nfs/dbraw/zinc/82/16/91/370821691.db2.gz KFORVRABSIWZRD-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245445262 370821696 /nfs/dbraw/zinc/82/16/96/370821696.db2.gz KFORVRABSIWZRD-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245445262 370821699 /nfs/dbraw/zinc/82/16/99/370821699.db2.gz KFORVRABSIWZRD-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186687583 369020147 /nfs/dbraw/zinc/02/01/47/369020147.db2.gz QUFYBTVDWLEOGD-GOSISDBHSA-N 2 2 299.418 2.049 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186714367 369026153 /nfs/dbraw/zinc/02/61/53/369026153.db2.gz BGIGFKVRBOBWFI-XIRDDKMYSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186714367 369026157 /nfs/dbraw/zinc/02/61/57/369026157.db2.gz BGIGFKVRBOBWFI-XIRDDKMYSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187977100 369268106 /nfs/dbraw/zinc/26/81/06/369268106.db2.gz JFALKCNMNNIJAW-ZDUSSCGKSA-N 2 2 260.385 2.086 20 30 CEEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1C)Cc1ccc(CO)o1 ZINC000352892769 369937193 /nfs/dbraw/zinc/93/71/93/369937193.db2.gz KUJMGGCLWOGZQK-UHFFFAOYSA-N 2 2 289.379 2.355 20 30 CEEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(CO)o1 ZINC000352892769 369937202 /nfs/dbraw/zinc/93/72/02/369937202.db2.gz KUJMGGCLWOGZQK-UHFFFAOYSA-N 2 2 289.379 2.355 20 30 CEEDLP C#CCSCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000222118984 370250613 /nfs/dbraw/zinc/25/06/13/370250613.db2.gz ALBHTFVGNCEWNZ-UHFFFAOYSA-N 2 2 275.421 2.006 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248064478 371159092 /nfs/dbraw/zinc/15/90/92/371159092.db2.gz MBPFFGVDAQJKFX-NWDGAFQWSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248064478 371159097 /nfs/dbraw/zinc/15/90/97/371159097.db2.gz MBPFFGVDAQJKFX-NWDGAFQWSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248064478 371159104 /nfs/dbraw/zinc/15/91/04/371159104.db2.gz MBPFFGVDAQJKFX-NWDGAFQWSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248064478 371159109 /nfs/dbraw/zinc/15/91/09/371159109.db2.gz MBPFFGVDAQJKFX-NWDGAFQWSA-N 2 2 273.218 2.311 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCOCc1ccc(C#N)cc1 ZINC000344076644 217040387 /nfs/dbraw/zinc/04/03/87/217040387.db2.gz VKHSFYKXCQUMRW-UHFFFAOYSA-N 2 2 298.390 2.293 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCOCc1ccc(C#N)cc1 ZINC000344076644 217040389 /nfs/dbraw/zinc/04/03/89/217040389.db2.gz VKHSFYKXCQUMRW-UHFFFAOYSA-N 2 2 298.390 2.293 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264122910 371974618 /nfs/dbraw/zinc/97/46/18/371974618.db2.gz VOIPGLZXEUPNQB-CHWSQXEVSA-N 2 2 280.416 2.365 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272603593 373575870 /nfs/dbraw/zinc/57/58/70/373575870.db2.gz JIZUDKFLUNLRKJ-FUHWJXTLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272603593 373575875 /nfs/dbraw/zinc/57/58/75/373575875.db2.gz JIZUDKFLUNLRKJ-FUHWJXTLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272603593 373575880 /nfs/dbraw/zinc/57/58/80/373575880.db2.gz JIZUDKFLUNLRKJ-FUHWJXTLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272603593 373575883 /nfs/dbraw/zinc/57/58/83/373575883.db2.gz JIZUDKFLUNLRKJ-FUHWJXTLSA-N 2 2 284.403 2.225 20 30 CEEDLP Cn1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000276791633 374302108 /nfs/dbraw/zinc/30/21/08/374302108.db2.gz TUSXVTQRLWWBSA-UHFFFAOYSA-N 2 2 286.423 2.347 20 30 CEEDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329385800 376957423 /nfs/dbraw/zinc/95/74/23/376957423.db2.gz SDGHQNJQCUICMI-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329385800 376957427 /nfs/dbraw/zinc/95/74/27/376957427.db2.gz SDGHQNJQCUICMI-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C#N)c1 ZINC000313252008 249388056 /nfs/dbraw/zinc/38/80/56/249388056.db2.gz MMDIBGWYYBRRIX-LBPRGKRZSA-N 2 2 254.337 2.185 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cncnc2C)CC1 ZINC000566473479 377762327 /nfs/dbraw/zinc/76/23/27/377762327.db2.gz BFFJUWZIKPCFTB-CQSZACIVSA-N 2 2 274.412 2.476 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752922 220305402 /nfs/dbraw/zinc/30/54/02/220305402.db2.gz NHBIOULRXZIORB-CHWSQXEVSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752922 220305407 /nfs/dbraw/zinc/30/54/07/220305407.db2.gz NHBIOULRXZIORB-CHWSQXEVSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752922 220305411 /nfs/dbraw/zinc/30/54/11/220305411.db2.gz NHBIOULRXZIORB-CHWSQXEVSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752922 220305415 /nfs/dbraw/zinc/30/54/15/220305415.db2.gz NHBIOULRXZIORB-CHWSQXEVSA-N 2 2 261.369 2.456 20 30 CEEDLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000281462921 195248987 /nfs/dbraw/zinc/24/89/87/195248987.db2.gz BAEMAVSTDPJMQC-CYBMUJFWSA-N 2 2 284.363 2.189 20 30 CEEDLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC000329505800 394568455 /nfs/dbraw/zinc/56/84/55/394568455.db2.gz ZLPLSEZYYJZZHK-ZIAGYGMSSA-N 2 2 290.411 2.134 20 30 CEEDLP CCNC(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000261931618 394609383 /nfs/dbraw/zinc/60/93/83/394609383.db2.gz BLAZILWTZKYSFX-GFCCVEGCSA-N 2 2 294.468 2.070 20 30 CEEDLP CCNC(NC[C@@H](C)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000261931618 394609390 /nfs/dbraw/zinc/60/93/90/394609390.db2.gz BLAZILWTZKYSFX-GFCCVEGCSA-N 2 2 294.468 2.070 20 30 CEEDLP Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(C#N)c[nH+]1 ZINC000333332469 394644443 /nfs/dbraw/zinc/64/44/43/394644443.db2.gz WKKVHPBWHGDFKY-HNNXBMFYSA-N 2 2 270.380 2.230 20 30 CEEDLP CCC[N@H+](CC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197883 394750968 /nfs/dbraw/zinc/75/09/68/394750968.db2.gz XXAXPPONJPUEGV-UHFFFAOYSA-N 2 2 287.411 2.298 20 30 CEEDLP CCC[N@@H+](CC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197883 394750975 /nfs/dbraw/zinc/75/09/75/394750975.db2.gz XXAXPPONJPUEGV-UHFFFAOYSA-N 2 2 287.411 2.298 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000275669464 394808540 /nfs/dbraw/zinc/80/85/40/394808540.db2.gz VMKLGNBINSLIFJ-RDJZCZTQSA-N 2 2 296.374 2.302 20 30 CEEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289389168 395076771 /nfs/dbraw/zinc/07/67/71/395076771.db2.gz NIKFZJBMQUTUJV-AWEZNQCLSA-N 2 2 267.376 2.134 20 30 CEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289715540 395084385 /nfs/dbraw/zinc/08/43/85/395084385.db2.gz GNDXGOVFIAKKQT-SFHVURJKSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289715540 395084389 /nfs/dbraw/zinc/08/43/89/395084389.db2.gz GNDXGOVFIAKKQT-SFHVURJKSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289715540 395084393 /nfs/dbraw/zinc/08/43/93/395084393.db2.gz GNDXGOVFIAKKQT-SFHVURJKSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289715540 395084394 /nfs/dbraw/zinc/08/43/94/395084394.db2.gz GNDXGOVFIAKKQT-SFHVURJKSA-N 2 2 299.418 2.001 20 30 CEEDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528727641 395294024 /nfs/dbraw/zinc/29/40/24/395294024.db2.gz GVRYDWXAPJYHCI-UHFFFAOYSA-N 2 2 299.418 2.245 20 30 CEEDLP C=CC[N@@H+](C)CCN(CC)Cc1[nH+]ccc(OC)c1OC ZINC000411645157 395333387 /nfs/dbraw/zinc/33/33/87/395333387.db2.gz KPVVWOMSSNQLLI-UHFFFAOYSA-N 2 2 293.411 2.039 20 30 CEEDLP C=CC[N@H+](C)CCN(CC)Cc1[nH+]ccc(OC)c1OC ZINC000411645157 395333391 /nfs/dbraw/zinc/33/33/91/395333391.db2.gz KPVVWOMSSNQLLI-UHFFFAOYSA-N 2 2 293.411 2.039 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411673431 395335372 /nfs/dbraw/zinc/33/53/72/395335372.db2.gz SRKJGFJQEHOFIY-AWEZNQCLSA-N 2 2 258.369 2.204 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530244659 395455245 /nfs/dbraw/zinc/45/52/45/395455245.db2.gz PDJWOMZDFGLLRL-ZWKOTPCHSA-N 2 2 299.418 2.198 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530244659 395455248 /nfs/dbraw/zinc/45/52/48/395455248.db2.gz PDJWOMZDFGLLRL-ZWKOTPCHSA-N 2 2 299.418 2.198 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000444005912 395410604 /nfs/dbraw/zinc/41/06/04/395410604.db2.gz ZEADITFYUWCYCY-DYVFJYSZSA-N 2 2 269.392 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000444005912 395410609 /nfs/dbraw/zinc/41/06/09/395410609.db2.gz ZEADITFYUWCYCY-DYVFJYSZSA-N 2 2 269.392 2.439 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000568741506 395569047 /nfs/dbraw/zinc/56/90/47/395569047.db2.gz VYVZSFPVDVTLQM-AWEZNQCLSA-N 2 2 260.385 2.060 20 30 CEEDLP C=CCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473061 414839306 /nfs/dbraw/zinc/83/93/06/414839306.db2.gz FSNIDOHBVDVDDN-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473061 414839309 /nfs/dbraw/zinc/83/93/09/414839309.db2.gz FSNIDOHBVDVDDN-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(CC)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478142 414841790 /nfs/dbraw/zinc/84/17/90/414841790.db2.gz KGFNLLFJZWYLJZ-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(CC)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478142 414841794 /nfs/dbraw/zinc/84/17/94/414841794.db2.gz KGFNLLFJZWYLJZ-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293910 415300189 /nfs/dbraw/zinc/30/01/89/415300189.db2.gz KBAFWEKJWYRQCV-HIFRSBDPSA-N 2 2 252.402 2.184 20 30 CEEDLP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000185790554 262071765 /nfs/dbraw/zinc/07/17/65/262071765.db2.gz VEZSAJOTMAMSJJ-LSDHHAIUSA-N 2 2 299.422 2.328 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)c1ccsc1 ZINC000264105245 262871895 /nfs/dbraw/zinc/87/18/95/262871895.db2.gz ZRJPURGEZAZKRV-CQSZACIVSA-N 2 2 294.468 2.458 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCO1 ZINC000278295036 263046721 /nfs/dbraw/zinc/04/67/21/263046721.db2.gz CXJQDBNKCSXLPY-KQTLUZQSSA-N 2 2 288.395 2.312 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330943675 264083930 /nfs/dbraw/zinc/08/39/30/264083930.db2.gz HWSLMXYQOKKKIU-UHFFFAOYSA-N 2 2 290.411 2.014 20 30 CEEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368397909 267168839 /nfs/dbraw/zinc/16/88/39/267168839.db2.gz PTEFJIAQZDUYAJ-AWEZNQCLSA-N 2 2 257.381 2.047 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000368640999 267193801 /nfs/dbraw/zinc/19/38/01/267193801.db2.gz BYKPQEMQVURKRX-DZGCQCFKSA-N 2 2 281.363 2.439 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348111248 275745199 /nfs/dbraw/zinc/74/51/99/275745199.db2.gz OLRTUFQHCOQLTJ-QWHCGFSZSA-N 2 2 292.345 2.336 20 30 CEEDLP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C#N)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000332269431 279267074 /nfs/dbraw/zinc/26/70/74/279267074.db2.gz CDVRPFNUGRWVQX-IBEHDNSVSA-N 2 2 274.412 2.329 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414923069 328267907 /nfs/dbraw/zinc/26/79/07/328267907.db2.gz GWOKVCDMHNOFFK-CJNGLKHVSA-N 2 2 260.381 2.339 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc(OC)c1O ZINC000414940838 328277518 /nfs/dbraw/zinc/27/75/18/328277518.db2.gz YBWDDJPPBOSXJY-SWLSCSKDSA-N 2 2 290.407 2.217 20 30 CEEDLP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000262369585 330011344 /nfs/dbraw/zinc/01/13/44/330011344.db2.gz WMIPCYMURFOAKB-STQMWFEESA-N 2 2 294.468 2.397 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972651 330164655 /nfs/dbraw/zinc/16/46/55/330164655.db2.gz ACOWISKDQGRJCP-HOCLYGCPSA-N 3 2 265.445 2.134 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090223831 330391465 /nfs/dbraw/zinc/39/14/65/330391465.db2.gz ZQJABOMZNRIYGY-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090223831 330391466 /nfs/dbraw/zinc/39/14/66/330391466.db2.gz ZQJABOMZNRIYGY-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459408593 331280327 /nfs/dbraw/zinc/28/03/27/331280327.db2.gz XOYZFZCYIRXNSP-UHFFFAOYSA-N 2 2 272.396 2.094 20 30 CEEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689156 332286612 /nfs/dbraw/zinc/28/66/12/332286612.db2.gz GVMCMMFURVHGPC-IEBWSBKVSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689156 332286613 /nfs/dbraw/zinc/28/66/13/332286613.db2.gz GVMCMMFURVHGPC-IEBWSBKVSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689156 332286615 /nfs/dbraw/zinc/28/66/15/332286615.db2.gz GVMCMMFURVHGPC-IEBWSBKVSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689156 332286617 /nfs/dbraw/zinc/28/66/17/332286617.db2.gz GVMCMMFURVHGPC-IEBWSBKVSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000491759701 332331258 /nfs/dbraw/zinc/33/12/58/332331258.db2.gz OAOABEJLRIUVCH-UHFFFAOYSA-N 2 2 266.348 2.173 20 30 CEEDLP C#CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000491759701 332331259 /nfs/dbraw/zinc/33/12/59/332331259.db2.gz OAOABEJLRIUVCH-UHFFFAOYSA-N 2 2 266.348 2.173 20 30 CEEDLP N#CCc1cc[nH+]c(NCc2cccc3[nH+]ccn32)c1 ZINC000545927724 334006985 /nfs/dbraw/zinc/00/69/85/334006985.db2.gz BCXBQDZPHKDXBN-UHFFFAOYSA-N 2 2 263.304 2.407 20 30 CEEDLP C=C(C)COCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000134507512 334092557 /nfs/dbraw/zinc/09/25/57/334092557.db2.gz MRFHRHJGJHCZKG-UHFFFAOYSA-N 2 2 259.353 2.325 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000328023275 627741448 /nfs/dbraw/zinc/74/14/48/627741448.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 2 299.462 2.196 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000328023275 627741452 /nfs/dbraw/zinc/74/14/52/627741452.db2.gz SXOKCJSRHXVGOK-IBGZPJMESA-N 2 2 299.462 2.196 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000893011715 627943619 /nfs/dbraw/zinc/94/36/19/627943619.db2.gz MGBAMTJDWIUNAF-SFHVURJKSA-N 2 2 298.430 2.129 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989033866 631718099 /nfs/dbraw/zinc/71/80/99/631718099.db2.gz AXIRNOSURPPFPA-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989182402 631744946 /nfs/dbraw/zinc/74/49/46/631744946.db2.gz LQRLTBVOLMNWET-KGLIPLIRSA-N 2 2 298.390 2.103 20 30 CEEDLP COc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000817916344 633775065 /nfs/dbraw/zinc/77/50/65/633775065.db2.gz WXHLWIMYYWIWTF-LLVKDONJSA-N 2 2 282.347 2.225 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484483 635152269 /nfs/dbraw/zinc/15/22/69/635152269.db2.gz SESYCBVEJKMNFJ-OAHLLOKOSA-N 2 2 255.365 2.323 20 30 CEEDLP CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CC[N@H+]2C)c(O)c1 ZINC000905003905 635774655 /nfs/dbraw/zinc/77/46/55/635774655.db2.gz XYFGHVPUJNLWOU-QJISPJEISA-N 2 2 275.396 2.361 20 30 CEEDLP C#C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535400 635777498 /nfs/dbraw/zinc/77/74/98/635777498.db2.gz VXKNEUDMIWHBKY-AWEZNQCLSA-N 2 2 266.348 2.113 20 30 CEEDLP C#C[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535400 635777503 /nfs/dbraw/zinc/77/75/03/635777503.db2.gz VXKNEUDMIWHBKY-AWEZNQCLSA-N 2 2 266.348 2.113 20 30 CEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510256 640651725 /nfs/dbraw/zinc/65/17/25/640651725.db2.gz UFKDCPXOPPJRAK-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510256 640651728 /nfs/dbraw/zinc/65/17/28/640651728.db2.gz UFKDCPXOPPJRAK-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993510262 640652118 /nfs/dbraw/zinc/65/21/18/640652118.db2.gz UFKDCPXOPPJRAK-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993510262 640652119 /nfs/dbraw/zinc/65/21/19/640652119.db2.gz UFKDCPXOPPJRAK-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP N#Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000921550183 642230634 /nfs/dbraw/zinc/23/06/34/642230634.db2.gz PXATYFQPZJYHOX-CHWSQXEVSA-N 2 2 261.394 2.336 20 30 CEEDLP N#Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000921550183 642230636 /nfs/dbraw/zinc/23/06/36/642230636.db2.gz PXATYFQPZJYHOX-CHWSQXEVSA-N 2 2 261.394 2.336 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000849032544 642244396 /nfs/dbraw/zinc/24/43/96/642244396.db2.gz LEFFXVXWLTWCMA-CQSZACIVSA-N 2 2 292.452 2.311 20 30 CEEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000999160049 642463298 /nfs/dbraw/zinc/46/32/98/642463298.db2.gz HKJHDJZJAYITNG-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C[C@H](C#N)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000757905169 644854672 /nfs/dbraw/zinc/85/46/72/644854672.db2.gz DLTFLPSZSMGKAB-CQSZACIVSA-N 2 2 286.423 2.471 20 30 CEEDLP CCC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N)cc1 ZINC000863081091 646632775 /nfs/dbraw/zinc/63/27/75/646632775.db2.gz XSAJHOTYJFOFJP-UHFFFAOYSA-N 2 2 274.412 2.458 20 30 CEEDLP CCN(C)c1ccc(C=[NH+]Nc2cc[nH+]c(C)c2)cn1 ZINC000863159063 646657865 /nfs/dbraw/zinc/65/78/65/646657865.db2.gz BAMHEIQLSDCGRB-UHFFFAOYSA-N 2 2 269.352 2.109 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229176 647683253 /nfs/dbraw/zinc/68/32/53/647683253.db2.gz OBDBBHFFWSWOQJ-QWHCGFSZSA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229176 647683258 /nfs/dbraw/zinc/68/32/58/647683258.db2.gz OBDBBHFFWSWOQJ-QWHCGFSZSA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866249946 647695234 /nfs/dbraw/zinc/69/52/34/647695234.db2.gz REHVBFQYFGCQLY-LBPRGKRZSA-N 2 2 261.369 2.256 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N ZINC000872148979 649297866 /nfs/dbraw/zinc/29/78/66/649297866.db2.gz JNDGRSFPWNJWMH-UONOGXRCSA-N 2 2 297.324 2.436 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N ZINC000872148979 649297867 /nfs/dbraw/zinc/29/78/67/649297867.db2.gz JNDGRSFPWNJWMH-UONOGXRCSA-N 2 2 297.324 2.436 20 30 CEEDLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCc1cccc(C#N)c1 ZINC000873218972 649594799 /nfs/dbraw/zinc/59/47/99/649594799.db2.gz CCXRWLATLRXFGY-INIZCTEOSA-N 2 2 259.397 2.406 20 30 CEEDLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000873218972 649594800 /nfs/dbraw/zinc/59/48/00/649594800.db2.gz CCXRWLATLRXFGY-INIZCTEOSA-N 2 2 259.397 2.406 20 30 CEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222247114 803819684 /nfs/dbraw/zinc/81/96/84/803819684.db2.gz CNZCGPISJSTSLL-QGZVFWFLSA-N 2 2 254.377 2.386 20 30 CEEDLP C#Cc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222247114 803819692 /nfs/dbraw/zinc/81/96/92/803819692.db2.gz CNZCGPISJSTSLL-QGZVFWFLSA-N 2 2 254.377 2.386 20 30 CEEDLP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970881 804371760 /nfs/dbraw/zinc/37/17/60/804371760.db2.gz USQQKGCUWIUZCA-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970881 804371768 /nfs/dbraw/zinc/37/17/68/804371768.db2.gz USQQKGCUWIUZCA-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477356 808630938 /nfs/dbraw/zinc/63/09/38/808630938.db2.gz IZFHTDMXIKKZKU-KBPBESRZSA-N 2 2 296.374 2.038 20 30 CEEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477356 808630940 /nfs/dbraw/zinc/63/09/40/808630940.db2.gz IZFHTDMXIKKZKU-KBPBESRZSA-N 2 2 296.374 2.038 20 30 CEEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCCC#N)CC2)c1 ZINC001172510084 815458652 /nfs/dbraw/zinc/45/86/52/815458652.db2.gz VGDXUQZGIMWVTA-AWEZNQCLSA-N 2 2 288.395 2.295 20 30 CEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153334 814006765 /nfs/dbraw/zinc/00/67/65/814006765.db2.gz XJKMKZJMTGUZAP-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153334 814006772 /nfs/dbraw/zinc/00/67/72/814006772.db2.gz XJKMKZJMTGUZAP-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206209222 815791857 /nfs/dbraw/zinc/79/18/57/815791857.db2.gz CRSNNSUQYJZVGE-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Cl ZINC001206209222 815791858 /nfs/dbraw/zinc/79/18/58/815791858.db2.gz CRSNNSUQYJZVGE-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001179000051 816824425 /nfs/dbraw/zinc/82/44/25/816824425.db2.gz PCZUQBLBMPMVDO-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000602515194 347063901 /nfs/dbraw/zinc/06/39/01/347063901.db2.gz OIELRHHABDQZFC-MRXNPFEDSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054181499 362517568 /nfs/dbraw/zinc/51/75/68/362517568.db2.gz SFZYBFRECHKPQV-OAHLLOKOSA-N 2 2 271.408 2.443 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000591576842 345265410 /nfs/dbraw/zinc/26/54/10/345265410.db2.gz HJBNLKKTXDPYPY-HOCLYGCPSA-N 2 2 255.365 2.277 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591580007 345266609 /nfs/dbraw/zinc/26/66/09/345266609.db2.gz GBQMYPOHSIQBOE-DZKIICNBSA-N 2 2 273.355 2.225 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728147 345275842 /nfs/dbraw/zinc/27/58/42/345275842.db2.gz LAWBKPXDSYIXGW-CABCVRRESA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728147 345275845 /nfs/dbraw/zinc/27/58/45/345275845.db2.gz LAWBKPXDSYIXGW-CABCVRRESA-N 2 2 262.401 2.140 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517015 345643118 /nfs/dbraw/zinc/64/31/18/345643118.db2.gz UEAIJEOYZIXNLR-XJKSGUPXSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517015 345643120 /nfs/dbraw/zinc/64/31/20/345643120.db2.gz UEAIJEOYZIXNLR-XJKSGUPXSA-N 2 2 269.392 2.477 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000061948158 362700104 /nfs/dbraw/zinc/70/01/04/362700104.db2.gz XSJCTWBCJBMANM-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000061948158 362700106 /nfs/dbraw/zinc/70/01/06/362700106.db2.gz XSJCTWBCJBMANM-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000600752830 346684110 /nfs/dbraw/zinc/68/41/10/346684110.db2.gz ZQSAJKGPPAUKCE-HOTGVXAUSA-N 2 2 291.439 2.038 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000600752830 346684114 /nfs/dbraw/zinc/68/41/14/346684114.db2.gz ZQSAJKGPPAUKCE-HOTGVXAUSA-N 2 2 291.439 2.038 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600751390 346684353 /nfs/dbraw/zinc/68/43/53/346684353.db2.gz QZSNDTWIUFJIPT-HOTGVXAUSA-N 2 2 293.455 2.284 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600751390 346684356 /nfs/dbraw/zinc/68/43/56/346684356.db2.gz QZSNDTWIUFJIPT-HOTGVXAUSA-N 2 2 293.455 2.284 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000610993072 347728757 /nfs/dbraw/zinc/72/87/57/347728757.db2.gz BQDUQERRCVPJEO-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000610993072 347728759 /nfs/dbraw/zinc/72/87/59/347728759.db2.gz BQDUQERRCVPJEO-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000619716322 349226014 /nfs/dbraw/zinc/22/60/14/349226014.db2.gz JWTAZZZAUCWREJ-HNNXBMFYSA-N 2 2 282.428 2.158 20 30 CEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000619716322 349226018 /nfs/dbraw/zinc/22/60/18/349226018.db2.gz JWTAZZZAUCWREJ-HNNXBMFYSA-N 2 2 282.428 2.158 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000619771196 349234371 /nfs/dbraw/zinc/23/43/71/349234371.db2.gz UZOHCTXUDBUMEM-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000619771196 349234374 /nfs/dbraw/zinc/23/43/74/349234374.db2.gz UZOHCTXUDBUMEM-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629396705 351350702 /nfs/dbraw/zinc/35/07/02/351350702.db2.gz SRXKBXUCFLXXRU-UKRRQHHQSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000093405877 364175855 /nfs/dbraw/zinc/17/58/55/364175855.db2.gz GLOPGEHUISCDCJ-NSHDSACASA-N 2 2 251.399 2.444 20 30 CEEDLP N#Cc1csc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000093492228 364191312 /nfs/dbraw/zinc/19/13/12/364191312.db2.gz JFQMLISHTFTKAD-UHFFFAOYSA-N 2 2 261.394 2.336 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158556975 366858687 /nfs/dbraw/zinc/85/86/87/366858687.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158556975 366858689 /nfs/dbraw/zinc/85/86/89/366858689.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158556975 366858692 /nfs/dbraw/zinc/85/86/92/366858692.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158556975 366858695 /nfs/dbraw/zinc/85/86/95/366858695.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 2 273.218 2.311 20 30 CEEDLP COCC#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412390 541547865 /nfs/dbraw/zinc/54/78/65/541547865.db2.gz MMOHMVXNKDVHCI-SJLPKXTDSA-N 2 2 286.419 2.136 20 30 CEEDLP COCC#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412390 541547869 /nfs/dbraw/zinc/54/78/69/541547869.db2.gz MMOHMVXNKDVHCI-SJLPKXTDSA-N 2 2 286.419 2.136 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000172112237 367676139 /nfs/dbraw/zinc/67/61/39/367676139.db2.gz CXBBYCXWRSYKEX-UHFFFAOYSA-N 2 2 272.392 2.274 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512781 367855199 /nfs/dbraw/zinc/85/51/99/367855199.db2.gz NLEADTOFOUPVIQ-SUMWQHHRSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512781 367855203 /nfs/dbraw/zinc/85/52/03/367855203.db2.gz NLEADTOFOUPVIQ-SUMWQHHRSA-N 2 2 269.392 2.173 20 30 CEEDLP C=CCOCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000348042074 368869908 /nfs/dbraw/zinc/86/99/08/368869908.db2.gz GEFIMHUDLGMHJT-HNNXBMFYSA-N 2 2 277.412 2.267 20 30 CEEDLP C=CCOCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000348042074 368869915 /nfs/dbraw/zinc/86/99/15/368869915.db2.gz GEFIMHUDLGMHJT-HNNXBMFYSA-N 2 2 277.412 2.267 20 30 CEEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352484252 369751250 /nfs/dbraw/zinc/75/12/50/369751250.db2.gz NCRRZIPROGYMQB-ZDUSSCGKSA-N 2 2 253.365 2.188 20 30 CEEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352484252 369751254 /nfs/dbraw/zinc/75/12/54/369751254.db2.gz NCRRZIPROGYMQB-ZDUSSCGKSA-N 2 2 253.365 2.188 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000358302562 371002049 /nfs/dbraw/zinc/00/20/49/371002049.db2.gz RUIIWWFSTGISCM-AWEZNQCLSA-N 2 2 269.352 2.358 20 30 CEEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358568368 371120932 /nfs/dbraw/zinc/12/09/32/371120932.db2.gz KUKFMKMXPGJMAU-NSHDSACASA-N 2 2 258.300 2.245 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639327755 371235184 /nfs/dbraw/zinc/23/51/84/371235184.db2.gz SFPMPITWIWPJFH-JFIYKMOQSA-N 2 2 286.419 2.491 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639327755 371235186 /nfs/dbraw/zinc/23/51/86/371235186.db2.gz SFPMPITWIWPJFH-JFIYKMOQSA-N 2 2 286.419 2.491 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248881646 371262913 /nfs/dbraw/zinc/26/29/13/371262913.db2.gz RSDKXKDZFQIFAT-BZUAXINKSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248881646 371262919 /nfs/dbraw/zinc/26/29/19/371262919.db2.gz RSDKXKDZFQIFAT-BZUAXINKSA-N 2 2 279.428 2.015 20 30 CEEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988341 371717146 /nfs/dbraw/zinc/71/71/46/371717146.db2.gz PQKABVFQMUCGNH-OAHLLOKOSA-N 2 2 293.455 2.018 20 30 CEEDLP Cc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1C ZINC000264056234 371959207 /nfs/dbraw/zinc/95/92/07/371959207.db2.gz BAQXPUMPWLLMQY-UHFFFAOYSA-N 2 2 271.368 2.317 20 30 CEEDLP CC(C)c1cccc(NC(=[NH2+])NCCn2cc[nH+]c2)c1 ZINC000264087246 371967252 /nfs/dbraw/zinc/96/72/52/371967252.db2.gz KCQBNIKPORTWLN-UHFFFAOYSA-N 2 2 271.368 2.433 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100291 371969183 /nfs/dbraw/zinc/96/91/83/371969183.db2.gz MQDFCDLOTSOJPL-IUODEOHRSA-N 2 2 292.427 2.001 20 30 CEEDLP CCN(CC)C(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264100208 371969265 /nfs/dbraw/zinc/96/92/65/371969265.db2.gz MOQHBKKUSPOICF-UHFFFAOYSA-N 2 2 273.384 2.001 20 30 CEEDLP COCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000270794578 372955882 /nfs/dbraw/zinc/95/58/82/372955882.db2.gz DAMONEXGCKDEOT-UHFFFAOYSA-N 2 2 298.390 2.212 20 30 CEEDLP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000270794578 372955886 /nfs/dbraw/zinc/95/58/86/372955886.db2.gz DAMONEXGCKDEOT-UHFFFAOYSA-N 2 2 298.390 2.212 20 30 CEEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000271038538 373084069 /nfs/dbraw/zinc/08/40/69/373084069.db2.gz LJHVOFFGLGRRNH-UHFFFAOYSA-N 2 2 261.369 2.456 20 30 CEEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000271038538 373084075 /nfs/dbraw/zinc/08/40/75/373084075.db2.gz LJHVOFFGLGRRNH-UHFFFAOYSA-N 2 2 261.369 2.456 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000368427673 373239122 /nfs/dbraw/zinc/23/91/22/373239122.db2.gz ACYPQNPHOXKQOC-WBVHZDCISA-N 2 2 274.408 2.442 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000368427673 373239128 /nfs/dbraw/zinc/23/91/28/373239128.db2.gz ACYPQNPHOXKQOC-WBVHZDCISA-N 2 2 274.408 2.442 20 30 CEEDLP N#Cc1ccc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000285484087 375839988 /nfs/dbraw/zinc/83/99/88/375839988.db2.gz BRBZBSMFAUKTGB-UHFFFAOYSA-N 2 2 295.390 2.013 20 30 CEEDLP CCC#C[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000685006979 542110182 /nfs/dbraw/zinc/11/01/82/542110182.db2.gz RMCGHCICZLNZQH-HNNXBMFYSA-N 2 2 257.381 2.314 20 30 CEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292888124 377333571 /nfs/dbraw/zinc/33/35/71/377333571.db2.gz FMCSUKXQBUBHOB-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292888124 377333577 /nfs/dbraw/zinc/33/35/77/377333577.db2.gz FMCSUKXQBUBHOB-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000292888124 377333586 /nfs/dbraw/zinc/33/35/86/377333586.db2.gz FMCSUKXQBUBHOB-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000292888124 377333590 /nfs/dbraw/zinc/33/35/90/377333590.db2.gz FMCSUKXQBUBHOB-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000428223133 377488106 /nfs/dbraw/zinc/48/81/06/377488106.db2.gz OSVCANHPKMZPIX-ZFWWWQNUSA-N 2 2 252.402 2.184 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000305089886 379631925 /nfs/dbraw/zinc/63/19/25/379631925.db2.gz ZMUCPPUYFQBNLP-SFHVURJKSA-N 2 2 299.418 2.152 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268149369 190380929 /nfs/dbraw/zinc/38/09/29/190380929.db2.gz WDJCSTPYSBYGKH-RDTXWAMCSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268149369 190380930 /nfs/dbraw/zinc/38/09/30/190380930.db2.gz WDJCSTPYSBYGKH-RDTXWAMCSA-N 2 2 284.403 2.271 20 30 CEEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328912441 394556501 /nfs/dbraw/zinc/55/65/01/394556501.db2.gz HGVSJOHVUQIJDH-LBPRGKRZSA-N 2 2 299.378 2.135 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000271220059 394752566 /nfs/dbraw/zinc/75/25/66/394752566.db2.gz OSAINNZTSHSTMP-UHFFFAOYSA-N 2 2 290.342 2.366 20 30 CEEDLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1C#N ZINC000414939638 394812981 /nfs/dbraw/zinc/81/29/81/394812981.db2.gz ZVKNYEUAGJMTDP-INIZCTEOSA-N 2 2 287.407 2.435 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000423360454 394900435 /nfs/dbraw/zinc/90/04/35/394900435.db2.gz LLRCZWGPQOBQQA-PGUXBMHVSA-N 2 2 261.344 2.346 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339056675 394939400 /nfs/dbraw/zinc/93/94/00/394939400.db2.gz QBNQUDXLOPABLW-ILXRZTDVSA-N 2 2 272.396 2.367 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339056675 394939403 /nfs/dbraw/zinc/93/94/03/394939403.db2.gz QBNQUDXLOPABLW-ILXRZTDVSA-N 2 2 272.396 2.367 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425530910 395061327 /nfs/dbraw/zinc/06/13/27/395061327.db2.gz GFGCYEXUCPJCAT-SUMWQHHRSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425530910 395061330 /nfs/dbraw/zinc/06/13/30/395061330.db2.gz GFGCYEXUCPJCAT-SUMWQHHRSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000425530910 395061334 /nfs/dbraw/zinc/06/13/34/395061334.db2.gz GFGCYEXUCPJCAT-SUMWQHHRSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000425530910 395061336 /nfs/dbraw/zinc/06/13/36/395061336.db2.gz GFGCYEXUCPJCAT-SUMWQHHRSA-N 2 2 287.407 2.006 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427106543 395092376 /nfs/dbraw/zinc/09/23/76/395092376.db2.gz FGNJEYYWICXXGN-HOCLYGCPSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427106543 395092379 /nfs/dbraw/zinc/09/23/79/395092379.db2.gz FGNJEYYWICXXGN-HOCLYGCPSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351388480 395213950 /nfs/dbraw/zinc/21/39/50/395213950.db2.gz RLJNLJWCFPUALC-CQSZACIVSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351388480 395213953 /nfs/dbraw/zinc/21/39/53/395213953.db2.gz RLJNLJWCFPUALC-CQSZACIVSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351388480 395213958 /nfs/dbraw/zinc/21/39/58/395213958.db2.gz RLJNLJWCFPUALC-CQSZACIVSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351388480 395213959 /nfs/dbraw/zinc/21/39/59/395213959.db2.gz RLJNLJWCFPUALC-CQSZACIVSA-N 2 2 280.437 2.191 20 30 CEEDLP C[N@@H+](CC#Cc1ccccc1)CCCn1cc[nH+]c1 ZINC000192136904 395373285 /nfs/dbraw/zinc/37/32/85/395373285.db2.gz KDERNKGTXOWQJY-UHFFFAOYSA-N 2 2 253.349 2.257 20 30 CEEDLP C[N@H+](CC#Cc1ccccc1)CCCn1cc[nH+]c1 ZINC000192136904 395373291 /nfs/dbraw/zinc/37/32/91/395373291.db2.gz KDERNKGTXOWQJY-UHFFFAOYSA-N 2 2 253.349 2.257 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000566415081 395519971 /nfs/dbraw/zinc/51/99/71/395519971.db2.gz YBYLGFQOIOHQRG-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000566415081 395519974 /nfs/dbraw/zinc/51/99/74/395519974.db2.gz YBYLGFQOIOHQRG-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CC(C)C)CC1 ZINC000647180994 396431814 /nfs/dbraw/zinc/43/18/14/396431814.db2.gz DKDFVUCFXIINQZ-UHFFFAOYSA-N 2 2 276.428 2.279 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766673 400340936 /nfs/dbraw/zinc/34/09/36/400340936.db2.gz ZPNKEPZFDHCXAR-MRXNPFEDSA-N 2 2 257.381 2.402 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766673 400340938 /nfs/dbraw/zinc/34/09/38/400340938.db2.gz ZPNKEPZFDHCXAR-MRXNPFEDSA-N 2 2 257.381 2.402 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037320413 173121240 /nfs/dbraw/zinc/12/12/40/173121240.db2.gz KABJXLYUWGWMOG-CHWSQXEVSA-N 2 2 254.337 2.494 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000071122072 176035235 /nfs/dbraw/zinc/03/52/35/176035235.db2.gz VUHAFFMMOSIPIU-QGZVFWFLSA-N 2 2 287.407 2.005 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000071122072 176035236 /nfs/dbraw/zinc/03/52/36/176035236.db2.gz VUHAFFMMOSIPIU-QGZVFWFLSA-N 2 2 287.407 2.005 20 30 CEEDLP CCc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000273388490 263016383 /nfs/dbraw/zinc/01/63/83/263016383.db2.gz ZLZOBEAGOSFKNP-INIZCTEOSA-N 2 2 288.439 2.261 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414958240 263162538 /nfs/dbraw/zinc/16/25/38/263162538.db2.gz RLDOUIHFVMOEAP-DZGCQCFKSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341876467 263361628 /nfs/dbraw/zinc/36/16/28/263361628.db2.gz JYIXKHRADSDRRV-QZTJIDSGSA-N 2 2 288.435 2.425 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341876467 263361630 /nfs/dbraw/zinc/36/16/30/263361630.db2.gz JYIXKHRADSDRRV-QZTJIDSGSA-N 2 2 288.435 2.425 20 30 CEEDLP CC[N@H+](CCNCc1c[nH+]c2ccc(C#N)cn12)C(C)C ZINC000123562739 276130664 /nfs/dbraw/zinc/13/06/64/276130664.db2.gz FUFIYZGQFJJHEM-UHFFFAOYSA-N 2 2 285.395 2.026 20 30 CEEDLP CC[N@@H+](CCNCc1c[nH+]c2ccc(C#N)cn12)C(C)C ZINC000123562739 276130665 /nfs/dbraw/zinc/13/06/65/276130665.db2.gz FUFIYZGQFJJHEM-UHFFFAOYSA-N 2 2 285.395 2.026 20 30 CEEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367049511 277120683 /nfs/dbraw/zinc/12/06/83/277120683.db2.gz GNNVEFNOTQLGQI-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367049511 277120686 /nfs/dbraw/zinc/12/06/86/277120686.db2.gz GNNVEFNOTQLGQI-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000335328661 278387988 /nfs/dbraw/zinc/38/79/88/278387988.db2.gz ZRXQKNTWWPARAT-RISCZKNCSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000335328661 278387989 /nfs/dbraw/zinc/38/79/89/278387989.db2.gz ZRXQKNTWWPARAT-RISCZKNCSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000156276937 289192888 /nfs/dbraw/zinc/19/28/88/289192888.db2.gz PGYMFOCBVOSLDG-SMDDNHRTSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000156276937 289192890 /nfs/dbraw/zinc/19/28/90/289192890.db2.gz PGYMFOCBVOSLDG-SMDDNHRTSA-N 2 2 261.344 2.270 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000562535114 298698555 /nfs/dbraw/zinc/69/85/55/298698555.db2.gz TXXORTVCWBYZPM-OAHLLOKOSA-N 2 2 266.348 2.168 20 30 CEEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080333 /nfs/dbraw/zinc/08/03/33/314080333.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080335 /nfs/dbraw/zinc/08/03/35/314080335.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080339 /nfs/dbraw/zinc/08/03/39/314080339.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266193 314080342 /nfs/dbraw/zinc/08/03/42/314080342.db2.gz GGIMRXUEIHQYPY-PBHICJAKSA-N 2 2 289.423 2.254 20 30 CEEDLP C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172654891 329136273 /nfs/dbraw/zinc/13/62/73/329136273.db2.gz UNJPADWYIBXLFY-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172654891 329136274 /nfs/dbraw/zinc/13/62/74/329136274.db2.gz UNJPADWYIBXLFY-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP CC(C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262232074 330002125 /nfs/dbraw/zinc/00/21/25/330002125.db2.gz GYRIYIURKAKOOM-CYBMUJFWSA-N 2 2 278.400 2.119 20 30 CEEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC(C)(C)C ZINC000262942456 330037410 /nfs/dbraw/zinc/03/74/10/330037410.db2.gz ACHGBDLACQPZJD-UHFFFAOYSA-N 2 2 291.443 2.116 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827690 330156598 /nfs/dbraw/zinc/15/65/98/330156598.db2.gz FAWXOZPRSLGXSB-OWCLPIDISA-N 3 2 265.445 2.154 20 30 CEEDLP C=C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423025120 330165842 /nfs/dbraw/zinc/16/58/42/330165842.db2.gz KQUPECHIFASLCG-IAGOWNOFSA-N 2 2 272.392 2.056 20 30 CEEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000424161738 330307274 /nfs/dbraw/zinc/30/72/74/330307274.db2.gz WAEVZJPCRGCWFV-CYBMUJFWSA-N 2 2 283.335 2.036 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446826174 330855320 /nfs/dbraw/zinc/85/53/20/330855320.db2.gz MNZNFXZABACVLL-MRXNPFEDSA-N 2 2 266.429 2.432 20 30 CEEDLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000577175578 335315929 /nfs/dbraw/zinc/31/59/29/335315929.db2.gz CMPNFXXQQFGXJG-CYBMUJFWSA-N 2 2 297.362 2.345 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540661 613792092 /nfs/dbraw/zinc/79/20/92/613792092.db2.gz WSUXGLPMDYVUIM-KGLIPLIRSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540661 613792093 /nfs/dbraw/zinc/79/20/93/613792093.db2.gz WSUXGLPMDYVUIM-KGLIPLIRSA-N 2 2 298.390 2.103 20 30 CEEDLP N#C[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932154748 628977685 /nfs/dbraw/zinc/97/76/85/628977685.db2.gz ZTNFVUSWKULBTK-HOTGVXAUSA-N 2 2 274.412 2.238 20 30 CEEDLP N#C[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932154748 628977686 /nfs/dbraw/zinc/97/76/86/628977686.db2.gz ZTNFVUSWKULBTK-HOTGVXAUSA-N 2 2 274.412 2.238 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894638766 629568289 /nfs/dbraw/zinc/56/82/89/629568289.db2.gz FMZRYJNHAIXPLF-UHFFFAOYSA-N 2 2 276.428 2.126 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894638766 629568294 /nfs/dbraw/zinc/56/82/94/629568294.db2.gz FMZRYJNHAIXPLF-UHFFFAOYSA-N 2 2 276.428 2.126 20 30 CEEDLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902735234 634801297 /nfs/dbraw/zinc/80/12/97/634801297.db2.gz AEWZQHOFYSSZAI-CYBMUJFWSA-N 2 2 260.385 2.334 20 30 CEEDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902735234 634801304 /nfs/dbraw/zinc/80/13/04/634801304.db2.gz AEWZQHOFYSSZAI-CYBMUJFWSA-N 2 2 260.385 2.334 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000809425007 632089895 /nfs/dbraw/zinc/08/98/95/632089895.db2.gz PQEOAZKIVUKWFS-CQSZACIVSA-N 2 2 253.349 2.290 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819023627 634042896 /nfs/dbraw/zinc/04/28/96/634042896.db2.gz ICHGJANVUKBROH-MRXNPFEDSA-N 2 2 296.361 2.238 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902796224 634837692 /nfs/dbraw/zinc/83/76/92/634837692.db2.gz NIVRZVOIKXOMRZ-FIDHJVLJSA-N 2 2 276.424 2.040 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000170910071 639684846 /nfs/dbraw/zinc/68/48/46/639684846.db2.gz IZMCNXYZCJUVPO-UHFFFAOYSA-N 2 2 276.428 2.069 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000170910071 639684847 /nfs/dbraw/zinc/68/48/47/639684847.db2.gz IZMCNXYZCJUVPO-UHFFFAOYSA-N 2 2 276.428 2.069 20 30 CEEDLP CC[C@@H](C)[NH2+][C@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000849026562 642239129 /nfs/dbraw/zinc/23/91/29/642239129.db2.gz ATQWUUFEDAPXHO-CHWSQXEVSA-N 2 2 280.416 2.188 20 30 CEEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)/N=C/c1ccccc1O ZINC000849169343 642277599 /nfs/dbraw/zinc/27/75/99/642277599.db2.gz BCYHMHBDFOHQEC-IQGJIOQQSA-N 2 2 277.412 2.083 20 30 CEEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)/N=C/c1ccccc1O ZINC000849169343 642277603 /nfs/dbraw/zinc/27/76/03/642277603.db2.gz BCYHMHBDFOHQEC-IQGJIOQQSA-N 2 2 277.412 2.083 20 30 CEEDLP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000852864462 643582014 /nfs/dbraw/zinc/58/20/14/643582014.db2.gz XBBMDQIILSSCMB-UHFFFAOYSA-N 2 2 294.358 2.018 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135409 651389052 /nfs/dbraw/zinc/38/90/52/651389052.db2.gz VJRMJDZKHMNYLF-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135409 651389053 /nfs/dbraw/zinc/38/90/53/651389053.db2.gz VJRMJDZKHMNYLF-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000880135409 651389054 /nfs/dbraw/zinc/38/90/54/651389054.db2.gz VJRMJDZKHMNYLF-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000880135409 651389055 /nfs/dbraw/zinc/38/90/55/651389055.db2.gz VJRMJDZKHMNYLF-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1CCCO1 ZINC000883194920 652396502 /nfs/dbraw/zinc/39/65/02/652396502.db2.gz GJJCFJIKTHJADI-JYJNAYRXSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1CCCO1 ZINC000883194920 652396504 /nfs/dbraw/zinc/39/65/04/652396504.db2.gz GJJCFJIKTHJADI-JYJNAYRXSA-N 2 2 266.429 2.432 20 30 CEEDLP C#CC[N@@H+]1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000884613729 652944035 /nfs/dbraw/zinc/94/40/35/652944035.db2.gz URZVJXMDZCZLNE-GFCCVEGCSA-N 2 2 254.337 2.072 20 30 CEEDLP C#CC[N@H+]1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000884613729 652944037 /nfs/dbraw/zinc/94/40/37/652944037.db2.gz URZVJXMDZCZLNE-GFCCVEGCSA-N 2 2 254.337 2.072 20 30 CEEDLP CN(C)/C=[NH+]/c1ccc(NCc2cc[nH+]c(N)c2)cc1C#N ZINC001167617262 803204154 /nfs/dbraw/zinc/20/41/54/803204154.db2.gz XXJBYDARPMKCIO-SRZZPIQSSA-N 2 2 294.362 2.369 20 30 CEEDLP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970880 804372472 /nfs/dbraw/zinc/37/24/72/804372472.db2.gz USQQKGCUWIUZCA-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970880 804372480 /nfs/dbraw/zinc/37/24/80/804372480.db2.gz USQQKGCUWIUZCA-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453103807 809036097 /nfs/dbraw/zinc/03/60/97/809036097.db2.gz SGUKLSCSZSLETA-HUUCEWRRSA-N 2 2 264.413 2.184 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001036080031 809856687 /nfs/dbraw/zinc/85/66/87/809856687.db2.gz WXEPKOGZOZLBKA-TZMCWYRMSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672536 810872163 /nfs/dbraw/zinc/87/21/63/810872163.db2.gz AEANKRJAXWVVCA-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672536 810872169 /nfs/dbraw/zinc/87/21/69/810872169.db2.gz AEANKRJAXWVVCA-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP CN(c1[nH+]ccc2ccc(C#N)cc21)C1CC[NH2+]CC1 ZINC001156172348 811211280 /nfs/dbraw/zinc/21/12/80/811211280.db2.gz PMGQDAJXIUXHHW-UHFFFAOYSA-N 2 2 266.348 2.295 20 30 CEEDLP C[C@@H](CCCC#N)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001172500060 815455863 /nfs/dbraw/zinc/45/58/63/815455863.db2.gz JILQDMKWYRPUKC-INIZCTEOSA-N 3 2 282.476 2.274 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270832 812655681 /nfs/dbraw/zinc/65/56/81/812655681.db2.gz SPNDBBGPXGQCHX-CYBMUJFWSA-N 2 2 286.379 2.008 20 30 CEEDLP C=C(C)CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976385 812764169 /nfs/dbraw/zinc/76/41/69/812764169.db2.gz MRLRTTXGERZGOD-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546178 813286253 /nfs/dbraw/zinc/28/62/53/813286253.db2.gz XCFFJMOJBBNWQY-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546178 813286256 /nfs/dbraw/zinc/28/62/56/813286256.db2.gz XCFFJMOJBBNWQY-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1O ZINC001246101351 813692271 /nfs/dbraw/zinc/69/22/71/813692271.db2.gz OZMFSEZEHUJSAA-ZNMIVQPWSA-N 2 2 256.434 2.438 20 30 CEEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712518 814312828 /nfs/dbraw/zinc/31/28/28/814312828.db2.gz CPEPQBPKZWSUKP-CABCVRRESA-N 2 2 292.427 2.112 20 30 CEEDLP C=CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179180498 816838211 /nfs/dbraw/zinc/83/82/11/816838211.db2.gz VNUSCSKKCZAQCN-UHFFFAOYSA-N 2 2 292.427 2.116 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000121136200 365525964 /nfs/dbraw/zinc/52/59/64/365525964.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000121136200 365525972 /nfs/dbraw/zinc/52/59/72/365525972.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121136200 365525976 /nfs/dbraw/zinc/52/59/76/365525976.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121136200 365525982 /nfs/dbraw/zinc/52/59/82/365525982.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602531375 347068518 /nfs/dbraw/zinc/06/85/18/347068518.db2.gz HQTHYDPPRWKNBU-OAHLLOKOSA-N 3 2 292.471 2.074 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374307 344765335 /nfs/dbraw/zinc/76/53/35/344765335.db2.gz RPFRRPNYMYEDBN-DZGCQCFKSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374307 344765338 /nfs/dbraw/zinc/76/53/38/344765338.db2.gz RPFRRPNYMYEDBN-DZGCQCFKSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000336374307 344765339 /nfs/dbraw/zinc/76/53/39/344765339.db2.gz RPFRRPNYMYEDBN-DZGCQCFKSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000336374307 344765341 /nfs/dbraw/zinc/76/53/41/344765341.db2.gz RPFRRPNYMYEDBN-DZGCQCFKSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374308 344765348 /nfs/dbraw/zinc/76/53/48/344765348.db2.gz RPFRRPNYMYEDBN-HIFRSBDPSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374308 344765350 /nfs/dbraw/zinc/76/53/50/344765350.db2.gz RPFRRPNYMYEDBN-HIFRSBDPSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000336374308 344765351 /nfs/dbraw/zinc/76/53/51/344765351.db2.gz RPFRRPNYMYEDBN-HIFRSBDPSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000336374308 344765353 /nfs/dbraw/zinc/76/53/53/344765353.db2.gz RPFRRPNYMYEDBN-HIFRSBDPSA-N 2 2 259.397 2.239 20 30 CEEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n1 ZINC000602569771 347082735 /nfs/dbraw/zinc/08/27/35/347082735.db2.gz SDMSYHBSIUNLBJ-UHFFFAOYSA-N 2 2 284.407 2.450 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000404001710 344877495 /nfs/dbraw/zinc/87/74/95/344877495.db2.gz NHPUIGLLAQMNSR-INIZCTEOSA-N 2 2 273.355 2.223 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000404001710 344877496 /nfs/dbraw/zinc/87/74/96/344877496.db2.gz NHPUIGLLAQMNSR-INIZCTEOSA-N 2 2 273.355 2.223 20 30 CEEDLP N#Cc1csc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000585744180 345012817 /nfs/dbraw/zinc/01/28/17/345012817.db2.gz VBSVTDFQPMVXND-UHFFFAOYSA-N 2 2 272.377 2.442 20 30 CEEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573280 345265300 /nfs/dbraw/zinc/26/53/00/345265300.db2.gz FPHKLMXFNCJBGL-FZMZJTMJSA-N 2 2 293.798 2.068 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000595089232 345740715 /nfs/dbraw/zinc/74/07/15/345740715.db2.gz FZIIPXUZQBPFOK-INIZCTEOSA-N 2 2 291.439 2.303 20 30 CEEDLP C=CCCSCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000595058323 345736734 /nfs/dbraw/zinc/73/67/34/345736734.db2.gz HNKLYKVVAIDCHF-TZMCWYRMSA-N 2 2 254.443 2.368 20 30 CEEDLP C=CCCSCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000595058323 345736737 /nfs/dbraw/zinc/73/67/37/345736737.db2.gz HNKLYKVVAIDCHF-TZMCWYRMSA-N 2 2 254.443 2.368 20 30 CEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549759 345809807 /nfs/dbraw/zinc/80/98/07/345809807.db2.gz MJYHJXHUTVMYIX-WMLDXEAASA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549759 345809809 /nfs/dbraw/zinc/80/98/09/345809809.db2.gz MJYHJXHUTVMYIX-WMLDXEAASA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549759 345809812 /nfs/dbraw/zinc/80/98/12/345809812.db2.gz MJYHJXHUTVMYIX-WMLDXEAASA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549759 345809816 /nfs/dbraw/zinc/80/98/16/345809816.db2.gz MJYHJXHUTVMYIX-WMLDXEAASA-N 2 2 289.423 2.252 20 30 CEEDLP N#CCC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597083748 346126154 /nfs/dbraw/zinc/12/61/54/346126154.db2.gz WHFYYOPVCLIWMU-UHFFFAOYSA-N 2 2 281.363 2.393 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599026739 346448532 /nfs/dbraw/zinc/44/85/32/346448532.db2.gz FCOLCMACGAXMQP-UHFFFAOYSA-N 2 2 294.439 2.348 20 30 CEEDLP N#CCc1cccc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000599676353 346561417 /nfs/dbraw/zinc/56/14/17/346561417.db2.gz BCJFUNHMTSBCPD-UHFFFAOYSA-N 2 2 266.348 2.007 20 30 CEEDLP N#CCc1cccc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000599676353 346561418 /nfs/dbraw/zinc/56/14/18/346561418.db2.gz BCJFUNHMTSBCPD-UHFFFAOYSA-N 2 2 266.348 2.007 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000600708999 346674987 /nfs/dbraw/zinc/67/49/87/346674987.db2.gz MWHJMRNYRLXEEE-WKPIXPDZSA-N 2 2 261.344 2.488 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602823251 347213503 /nfs/dbraw/zinc/21/35/03/347213503.db2.gz AWNREWZSVVARND-UHFFFAOYSA-N 2 2 270.380 2.206 20 30 CEEDLP C=CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000130717430 365984168 /nfs/dbraw/zinc/98/41/68/365984168.db2.gz HLEQQQWGMFKAON-UHFFFAOYSA-N 2 2 255.365 2.298 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629393446 351348094 /nfs/dbraw/zinc/34/80/94/351348094.db2.gz AHINRMPLXHHKSZ-HIFRSBDPSA-N 2 2 290.407 2.490 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153933 198184816 /nfs/dbraw/zinc/18/48/16/198184816.db2.gz NVXGPMDYHIPSQX-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153933 198184818 /nfs/dbraw/zinc/18/48/18/198184818.db2.gz NVXGPMDYHIPSQX-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153933 198184820 /nfs/dbraw/zinc/18/48/20/198184820.db2.gz NVXGPMDYHIPSQX-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153933 198184821 /nfs/dbraw/zinc/18/48/21/198184821.db2.gz NVXGPMDYHIPSQX-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694784 539945094 /nfs/dbraw/zinc/94/50/94/539945094.db2.gz MMEGRKKHXBCSCS-ZBFHGGJFSA-N 2 2 289.423 2.336 20 30 CEEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694784 539945100 /nfs/dbraw/zinc/94/51/00/539945100.db2.gz MMEGRKKHXBCSCS-ZBFHGGJFSA-N 2 2 289.423 2.336 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338252978 366254439 /nfs/dbraw/zinc/25/44/39/366254439.db2.gz DJJWOVMBRZDMKC-UHFFFAOYSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338252978 366254443 /nfs/dbraw/zinc/25/44/43/366254443.db2.gz DJJWOVMBRZDMKC-UHFFFAOYSA-N 2 2 295.471 2.216 20 30 CEEDLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193045 299244143 /nfs/dbraw/zinc/24/41/43/299244143.db2.gz RGPXWNRPMHOOKD-GUYCJALGSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193045 299244145 /nfs/dbraw/zinc/24/41/45/299244145.db2.gz RGPXWNRPMHOOKD-GUYCJALGSA-N 2 2 269.392 2.477 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000152974673 366723186 /nfs/dbraw/zinc/72/31/86/366723186.db2.gz DYZCVTCSYVRBNC-WBVHZDCISA-N 3 2 279.472 2.347 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000152974673 366723190 /nfs/dbraw/zinc/72/31/90/366723190.db2.gz DYZCVTCSYVRBNC-WBVHZDCISA-N 3 2 279.472 2.347 20 30 CEEDLP C=CCOCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679576688 541292841 /nfs/dbraw/zinc/29/28/41/541292841.db2.gz RLXGVGVQCYAAKR-UHFFFAOYSA-N 2 2 280.334 2.195 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648567 364092572 /nfs/dbraw/zinc/09/25/72/364092572.db2.gz YZBKMDQBFQDWGW-UHFFFAOYSA-N 2 2 256.309 2.185 20 30 CEEDLP C=C(C)[C@H](CO)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679952887 541344167 /nfs/dbraw/zinc/34/41/67/541344167.db2.gz NTKZGWYJAABRKD-INIZCTEOSA-N 2 2 277.412 2.312 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192036370 369766735 /nfs/dbraw/zinc/76/67/35/369766735.db2.gz SNPWGLLZAHPWES-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192036370 369766737 /nfs/dbraw/zinc/76/67/37/369766737.db2.gz SNPWGLLZAHPWES-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841435 369907667 /nfs/dbraw/zinc/90/76/67/369907667.db2.gz RGCPWHJMVSDFKF-STQMWFEESA-N 2 2 292.452 2.472 20 30 CEEDLP CCCCNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264059056 371959599 /nfs/dbraw/zinc/95/95/99/371959599.db2.gz CEFDXFIXFVTZLH-UHFFFAOYSA-N 2 2 273.384 2.049 20 30 CEEDLP CCNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000264075615 371963598 /nfs/dbraw/zinc/96/35/98/371963598.db2.gz FPWVSNDJTRLYFZ-CQSZACIVSA-N 2 2 294.830 2.401 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])NC(C)(C)C ZINC000264102175 371970443 /nfs/dbraw/zinc/97/04/43/371970443.db2.gz NDQMQPAGXVUQOB-UHFFFAOYSA-N 2 2 287.411 2.438 20 30 CEEDLP CNC(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)=[NH+]C ZINC000264136164 371976941 /nfs/dbraw/zinc/97/69/41/371976941.db2.gz ZRVAKGPMZSOGCV-AWEZNQCLSA-N 2 2 294.830 2.272 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268656508 372170619 /nfs/dbraw/zinc/17/06/19/372170619.db2.gz LBBJRLJSLSVJQH-CVEARBPZSA-N 2 2 296.374 2.194 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000268921515 372289353 /nfs/dbraw/zinc/28/93/53/372289353.db2.gz WSXXBGKAFRCFHN-UHFFFAOYSA-N 2 2 261.344 2.271 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000364362038 372738034 /nfs/dbraw/zinc/73/80/34/372738034.db2.gz UUVDRPXFNCFDBT-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000370129269 373586684 /nfs/dbraw/zinc/58/66/84/373586684.db2.gz CRMHPWSOYYBSMV-UHFFFAOYSA-N 2 2 259.353 2.258 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685671 373613264 /nfs/dbraw/zinc/61/32/64/373613264.db2.gz WFWSAPJQEFVEDN-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685671 373613274 /nfs/dbraw/zinc/61/32/74/373613274.db2.gz WFWSAPJQEFVEDN-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685671 373613284 /nfs/dbraw/zinc/61/32/84/373613284.db2.gz WFWSAPJQEFVEDN-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685671 373613293 /nfs/dbraw/zinc/61/32/93/373613293.db2.gz WFWSAPJQEFVEDN-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CC[N@H+](C)CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000292659627 377260868 /nfs/dbraw/zinc/26/08/68/377260868.db2.gz CHLYEMQMPQGKRX-UHFFFAOYSA-N 2 2 271.286 2.467 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000292659627 377260877 /nfs/dbraw/zinc/26/08/77/377260877.db2.gz CHLYEMQMPQGKRX-UHFFFAOYSA-N 2 2 271.286 2.467 20 30 CEEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CCC#N ZINC000566121151 377728261 /nfs/dbraw/zinc/72/82/61/377728261.db2.gz YLSGPBJUZVZXDG-UHFFFAOYSA-N 2 2 258.369 2.072 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442788479 377996057 /nfs/dbraw/zinc/99/60/57/377996057.db2.gz FRTOCIUZLLPIGG-KGLIPLIRSA-N 2 2 279.428 2.158 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449117416 378196901 /nfs/dbraw/zinc/19/69/01/378196901.db2.gz ONAAICDHSAUPOA-HWOWSKLDSA-N 2 2 279.428 2.159 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449117416 378196905 /nfs/dbraw/zinc/19/69/05/378196905.db2.gz ONAAICDHSAUPOA-HWOWSKLDSA-N 2 2 279.428 2.159 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449386946 378208838 /nfs/dbraw/zinc/20/88/38/378208838.db2.gz JZQGQTGLRDAJQA-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449386946 378208842 /nfs/dbraw/zinc/20/88/42/378208842.db2.gz JZQGQTGLRDAJQA-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737904 378224879 /nfs/dbraw/zinc/22/48/79/378224879.db2.gz VROJEQNQSKVZJZ-ZBEGNZNMSA-N 2 2 273.355 2.270 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737904 378224882 /nfs/dbraw/zinc/22/48/82/378224882.db2.gz VROJEQNQSKVZJZ-ZBEGNZNMSA-N 2 2 273.355 2.270 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000267848662 190358758 /nfs/dbraw/zinc/35/87/58/190358758.db2.gz DUPCNIPRFRDLCA-OAHLLOKOSA-N 2 2 290.411 2.147 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000268131166 190379601 /nfs/dbraw/zinc/37/96/01/190379601.db2.gz PTQFSKVTPZBGRR-BLLLJJGKSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000268131166 190379602 /nfs/dbraw/zinc/37/96/02/190379602.db2.gz PTQFSKVTPZBGRR-BLLLJJGKSA-N 2 2 285.391 2.139 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268149357 190381167 /nfs/dbraw/zinc/38/11/67/190381167.db2.gz WDJCSTPYSBYGKH-KBXCAEBGSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268149357 190381168 /nfs/dbraw/zinc/38/11/68/190381168.db2.gz WDJCSTPYSBYGKH-KBXCAEBGSA-N 2 2 284.403 2.271 20 30 CEEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)NC1CCCC1 ZINC000262946007 394625899 /nfs/dbraw/zinc/62/58/99/394625899.db2.gz AWAKGJKKXAHGEE-CQSZACIVSA-N 2 2 294.468 2.458 20 30 CEEDLP CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000267440986 394679160 /nfs/dbraw/zinc/67/91/60/394679160.db2.gz PDAICSOAXHSEML-AWEZNQCLSA-N 2 2 294.830 2.229 20 30 CEEDLP CNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000267440986 394679165 /nfs/dbraw/zinc/67/91/65/394679165.db2.gz PDAICSOAXHSEML-AWEZNQCLSA-N 2 2 294.830 2.229 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000122451825 394814111 /nfs/dbraw/zinc/81/41/11/394814111.db2.gz JQVNAATUQPMIGC-ZDUSSCGKSA-N 2 2 294.468 2.397 20 30 CEEDLP C#CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077054 394940306 /nfs/dbraw/zinc/94/03/06/394940306.db2.gz LDGIRNSUDLYSOW-IBGZPJMESA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077054 394940308 /nfs/dbraw/zinc/94/03/08/394940308.db2.gz LDGIRNSUDLYSOW-IBGZPJMESA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077054 394940312 /nfs/dbraw/zinc/94/03/12/394940312.db2.gz LDGIRNSUDLYSOW-IBGZPJMESA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077054 394940316 /nfs/dbraw/zinc/94/03/16/394940316.db2.gz LDGIRNSUDLYSOW-IBGZPJMESA-N 2 2 298.430 2.375 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000368028287 394975561 /nfs/dbraw/zinc/97/55/61/394975561.db2.gz CMFMDSHPMHDACD-ROUUACIJSA-N 2 2 284.403 2.011 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000368028287 394975564 /nfs/dbraw/zinc/97/55/64/394975564.db2.gz CMFMDSHPMHDACD-ROUUACIJSA-N 2 2 284.403 2.011 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192021051 395369526 /nfs/dbraw/zinc/36/95/26/395369526.db2.gz YBJMXOOQZDYKPK-LJQANCHMSA-N 2 2 298.430 2.082 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192021051 395369531 /nfs/dbraw/zinc/36/95/31/395369531.db2.gz YBJMXOOQZDYKPK-LJQANCHMSA-N 2 2 298.430 2.082 20 30 CEEDLP C[N@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442714245 395392277 /nfs/dbraw/zinc/39/22/77/395392277.db2.gz YITVGHWXHXAZFI-HZPDHXFCSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442714245 395392281 /nfs/dbraw/zinc/39/22/81/395392281.db2.gz YITVGHWXHXAZFI-HZPDHXFCSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCCCCC1 ZINC000330291764 228101963 /nfs/dbraw/zinc/10/19/63/228101963.db2.gz CXVIZMKDUGIPET-KGLIPLIRSA-N 2 2 290.411 2.419 20 30 CEEDLP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000170908824 261448803 /nfs/dbraw/zinc/44/88/03/261448803.db2.gz PHVPIAZGRKKSDZ-OAHLLOKOSA-N 2 2 297.406 2.420 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415043953 263257822 /nfs/dbraw/zinc/25/78/22/263257822.db2.gz RSPHDPJZKGPJGV-HNNXBMFYSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(OC)c1O ZINC000415064805 263259468 /nfs/dbraw/zinc/25/94/68/263259468.db2.gz DQFJLQJKELTYEY-HNNXBMFYSA-N 2 2 290.407 2.361 20 30 CEEDLP C[NH2+]C(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331308251 264185753 /nfs/dbraw/zinc/18/57/53/264185753.db2.gz GPJRYRYOPLXTGI-UHFFFAOYSA-N 2 2 264.373 2.331 20 30 CEEDLP C#CC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370086752 267290229 /nfs/dbraw/zinc/29/02/29/267290229.db2.gz KNABNJVOHWKOCK-UHFFFAOYSA-N 2 2 286.423 2.442 20 30 CEEDLP C#CC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370086752 267290233 /nfs/dbraw/zinc/29/02/33/267290233.db2.gz KNABNJVOHWKOCK-UHFFFAOYSA-N 2 2 286.423 2.442 20 30 CEEDLP C=C(Cl)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370687206 267340020 /nfs/dbraw/zinc/34/00/20/267340020.db2.gz CLIGRPFPQMKQOH-UHFFFAOYSA-N 2 2 285.863 2.229 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414923071 328267774 /nfs/dbraw/zinc/26/77/74/328267774.db2.gz GWOKVCDMHNOFFK-CZUORRHYSA-N 2 2 260.381 2.339 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356870601 326854765 /nfs/dbraw/zinc/85/47/65/326854765.db2.gz OGAUOAWJVILAJQ-UONOGXRCSA-N 2 2 252.402 2.042 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2CCOCC2)CC1 ZINC000532231690 328709299 /nfs/dbraw/zinc/70/92/99/328709299.db2.gz WOKBEXOAGLRYMN-INIZCTEOSA-N 2 2 266.429 2.432 20 30 CEEDLP C#CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000178062415 329192340 /nfs/dbraw/zinc/19/23/40/329192340.db2.gz AOUFIADMFGPOSX-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194031963 329684889 /nfs/dbraw/zinc/68/48/89/329684889.db2.gz GDLYSFJUUUVQEE-BZUAXINKSA-N 2 2 276.424 2.184 20 30 CEEDLP CCc1[nH+]c2cc(CNC(=[NH2+])N3CCC3)ccc2n1C1CC1 ZINC000263147453 330045849 /nfs/dbraw/zinc/04/58/49/330045849.db2.gz OYUPFNKZVCXSLX-UHFFFAOYSA-N 2 2 297.406 2.454 20 30 CEEDLP C=C(C)COCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090450895 330392547 /nfs/dbraw/zinc/39/25/47/330392547.db2.gz JOXTXTNTHMFENP-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCSC1 ZINC000449175655 330903670 /nfs/dbraw/zinc/90/36/70/330903670.db2.gz KRTYFDHNLKCWBV-NRXISQOPSA-N 2 2 281.469 2.486 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449523064 330933672 /nfs/dbraw/zinc/93/36/72/330933672.db2.gz WKKGQMMMVIQNKR-OLZOCXBDSA-N 2 2 292.345 2.336 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453256988 331108323 /nfs/dbraw/zinc/10/83/23/331108323.db2.gz GSHYROCEXBLUKG-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453256988 331108324 /nfs/dbraw/zinc/10/83/24/331108324.db2.gz GSHYROCEXBLUKG-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP CCCC[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000576696357 335235845 /nfs/dbraw/zinc/23/58/45/335235845.db2.gz GZORDIMAYWRGST-AWEZNQCLSA-N 2 2 262.401 2.284 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329180221 528985050 /nfs/dbraw/zinc/98/50/50/528985050.db2.gz OEKOOCVWIWMVFW-CYBMUJFWSA-N 2 2 290.411 2.344 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329180221 528985053 /nfs/dbraw/zinc/98/50/53/528985053.db2.gz OEKOOCVWIWMVFW-CYBMUJFWSA-N 2 2 290.411 2.344 20 30 CEEDLP C=CCC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000739915984 574936274 /nfs/dbraw/zinc/93/62/74/574936274.db2.gz VKJUFMREALBEGR-KRWDZBQOSA-N 2 2 274.408 2.179 20 30 CEEDLP C=CCC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000739915984 574936275 /nfs/dbraw/zinc/93/62/75/574936275.db2.gz VKJUFMREALBEGR-KRWDZBQOSA-N 2 2 274.408 2.179 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000748761792 575194294 /nfs/dbraw/zinc/19/42/94/575194294.db2.gz SRYQDQXLYOASSX-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000748761792 575194296 /nfs/dbraw/zinc/19/42/96/575194296.db2.gz SRYQDQXLYOASSX-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915656 613768817 /nfs/dbraw/zinc/76/88/17/613768817.db2.gz QTOOCJBSGDIYAO-LRDDRELGSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915656 613768819 /nfs/dbraw/zinc/76/88/19/613768819.db2.gz QTOOCJBSGDIYAO-LRDDRELGSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892881341 627827767 /nfs/dbraw/zinc/82/77/67/627827767.db2.gz UMBOGIOUNWGQHT-UHFFFAOYSA-N 2 2 263.360 2.269 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000328126364 627859378 /nfs/dbraw/zinc/85/93/78/627859378.db2.gz UGFBLKWTKCIGMY-UHFFFAOYSA-N 2 2 286.375 2.486 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000328126364 627859379 /nfs/dbraw/zinc/85/93/79/627859379.db2.gz UGFBLKWTKCIGMY-UHFFFAOYSA-N 2 2 286.375 2.486 20 30 CEEDLP C=C1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000925834048 628929604 /nfs/dbraw/zinc/92/96/04/628929604.db2.gz FVTSLRFXVYIUAE-JKSUJKDBSA-N 2 2 264.413 2.089 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924984175 629321070 /nfs/dbraw/zinc/32/10/70/629321070.db2.gz OQPQHHUCSXOGQK-HZPDHXFCSA-N 2 2 266.429 2.288 20 30 CEEDLP C[NH+]=C(NCC1(C)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261976167 629408398 /nfs/dbraw/zinc/40/83/98/629408398.db2.gz NRWWGEQWTZTCTN-UONOGXRCSA-N 2 2 289.427 2.142 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742541 634805463 /nfs/dbraw/zinc/80/54/63/634805463.db2.gz RXNWABRRUZKSJV-OCCSQVGLSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742541 634805465 /nfs/dbraw/zinc/80/54/65/634805465.db2.gz RXNWABRRUZKSJV-OCCSQVGLSA-N 2 2 270.380 2.088 20 30 CEEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000817934650 633786609 /nfs/dbraw/zinc/78/66/09/633786609.db2.gz MGWMVLDZTXBGSG-LLVKDONJSA-N 2 2 254.761 2.427 20 30 CEEDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000903529348 635162538 /nfs/dbraw/zinc/16/25/38/635162538.db2.gz XXRVQEWFUWEANR-INIZCTEOSA-N 2 2 257.381 2.175 20 30 CEEDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000903529348 635162543 /nfs/dbraw/zinc/16/25/43/635162543.db2.gz XXRVQEWFUWEANR-INIZCTEOSA-N 2 2 257.381 2.175 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903799932 635276757 /nfs/dbraw/zinc/27/67/57/635276757.db2.gz FPAYINDIAOHMTM-HOTGVXAUSA-N 2 2 255.365 2.262 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903799932 635276759 /nfs/dbraw/zinc/27/67/59/635276759.db2.gz FPAYINDIAOHMTM-HOTGVXAUSA-N 2 2 255.365 2.262 20 30 CEEDLP Cn1c[nH+]cc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077761 635795488 /nfs/dbraw/zinc/79/54/88/635795488.db2.gz DHJQUZLSDPRARO-FPLPWBNLSA-N 2 2 269.348 2.378 20 30 CEEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000876929072 650490474 /nfs/dbraw/zinc/49/04/74/650490474.db2.gz GIGGEGNTJYFCFJ-LLVKDONJSA-N 2 2 290.798 2.181 20 30 CEEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000876929072 650490475 /nfs/dbraw/zinc/49/04/75/650490475.db2.gz GIGGEGNTJYFCFJ-LLVKDONJSA-N 2 2 290.798 2.181 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000849023434 642236908 /nfs/dbraw/zinc/23/69/08/642236908.db2.gz SUKHKJQTAHIXDG-VXGBXAGGSA-N 2 2 264.373 2.009 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921703437 642550006 /nfs/dbraw/zinc/55/00/06/642550006.db2.gz WDGAWVYRAOASOR-UHFFFAOYSA-N 2 2 287.363 2.273 20 30 CEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665217 650840728 /nfs/dbraw/zinc/84/07/28/650840728.db2.gz LZUQRKAYWMWNEN-HNNXBMFYSA-N 2 2 266.429 2.005 20 30 CEEDLP C#CCCCCCC[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665217 650840730 /nfs/dbraw/zinc/84/07/30/650840730.db2.gz LZUQRKAYWMWNEN-HNNXBMFYSA-N 2 2 266.429 2.005 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000863551017 646754852 /nfs/dbraw/zinc/75/48/52/646754852.db2.gz HPIMGXZZUSLLHN-INIZCTEOSA-N 2 2 296.374 2.017 20 30 CEEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C[NH+](C)C ZINC000866363539 647756326 /nfs/dbraw/zinc/75/63/26/647756326.db2.gz JMORWJVYFABBFD-VXGBXAGGSA-N 2 2 261.369 2.112 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872072127 649262713 /nfs/dbraw/zinc/26/27/13/649262713.db2.gz FIYVQXWAFHQOQB-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872072127 649262715 /nfs/dbraw/zinc/26/27/15/649262715.db2.gz FIYVQXWAFHQOQB-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C=C(C)C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000996729758 808446554 /nfs/dbraw/zinc/44/65/54/808446554.db2.gz NMYKZQHOQFPSEF-UHFFFAOYSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209157771 802477047 /nfs/dbraw/zinc/47/70/47/802477047.db2.gz HDZDWJKRXQJYAH-UHFFFAOYSA-N 2 2 272.352 2.244 20 30 CEEDLP C=CCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209157771 802477049 /nfs/dbraw/zinc/47/70/49/802477049.db2.gz HDZDWJKRXQJYAH-UHFFFAOYSA-N 2 2 272.352 2.244 20 30 CEEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267049061 803078401 /nfs/dbraw/zinc/07/84/01/803078401.db2.gz AZXROVPUWZNAOA-HNNXBMFYSA-N 2 2 287.407 2.245 20 30 CEEDLP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970820 804372009 /nfs/dbraw/zinc/37/20/09/804372009.db2.gz RTWRWYODMYMDPI-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970820 804372018 /nfs/dbraw/zinc/37/20/18/804372018.db2.gz RTWRWYODMYMDPI-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120497590 815230389 /nfs/dbraw/zinc/23/03/89/815230389.db2.gz XDWZOEXLNPNFKS-ZIAGYGMSSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120497590 815230394 /nfs/dbraw/zinc/23/03/94/815230394.db2.gz XDWZOEXLNPNFKS-ZIAGYGMSSA-N 2 2 262.401 2.140 20 30 CEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000998988994 808767977 /nfs/dbraw/zinc/76/79/77/808767977.db2.gz QACKZYWWRMXGAG-UHFFFAOYSA-N 2 2 298.390 2.332 20 30 CEEDLP C#CCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162447026 809592579 /nfs/dbraw/zinc/59/25/79/809592579.db2.gz ZJQNAVFEFJJUFJ-OAHLLOKOSA-N 2 2 257.381 2.045 20 30 CEEDLP C#CCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162447026 809592585 /nfs/dbraw/zinc/59/25/85/809592585.db2.gz ZJQNAVFEFJJUFJ-OAHLLOKOSA-N 2 2 257.381 2.045 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172295173 815386173 /nfs/dbraw/zinc/38/61/73/815386173.db2.gz PTWHETJRRWUXRH-BBRMVZONSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172295173 815386178 /nfs/dbraw/zinc/38/61/78/815386178.db2.gz PTWHETJRRWUXRH-BBRMVZONSA-N 2 2 257.381 2.173 20 30 CEEDLP C=CCc1cc(C)c[nH+]c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169240993 811458836 /nfs/dbraw/zinc/45/88/36/811458836.db2.gz PZPSZKKQFPMXHI-UHFFFAOYSA-N 2 2 297.406 2.420 20 30 CEEDLP C=CCCC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113015905 812144142 /nfs/dbraw/zinc/14/41/42/812144142.db2.gz JICPCJUBHCXAJJ-UHFFFAOYSA-N 2 2 298.390 2.287 20 30 CEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610447 813448067 /nfs/dbraw/zinc/44/80/67/813448067.db2.gz UGGZGYBVDLQXCJ-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610447 813448073 /nfs/dbraw/zinc/44/80/73/813448073.db2.gz UGGZGYBVDLQXCJ-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729282 814726565 /nfs/dbraw/zinc/72/65/65/814726565.db2.gz BBZJUBKHXCCIIU-TZMCWYRMSA-N 2 2 298.390 2.047 20 30 CEEDLP C=CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729282 814726571 /nfs/dbraw/zinc/72/65/71/814726571.db2.gz BBZJUBKHXCCIIU-TZMCWYRMSA-N 2 2 298.390 2.047 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343659 816787707 /nfs/dbraw/zinc/78/77/07/816787707.db2.gz HSVHNAKYFFQCHS-HNNXBMFYSA-N 2 2 261.344 2.211 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343659 816787716 /nfs/dbraw/zinc/78/77/16/816787716.db2.gz HSVHNAKYFFQCHS-HNNXBMFYSA-N 2 2 261.344 2.211 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1F ZINC000124419609 187136455 /nfs/dbraw/zinc/13/64/55/187136455.db2.gz YXDONXIHMFJYQS-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1F ZINC000124419609 187136456 /nfs/dbraw/zinc/13/64/56/187136456.db2.gz YXDONXIHMFJYQS-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000121242774 365540713 /nfs/dbraw/zinc/54/07/13/365540713.db2.gz MOQMBDRSOVLKGD-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000121242774 365540715 /nfs/dbraw/zinc/54/07/15/365540715.db2.gz MOQMBDRSOVLKGD-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000121242774 365540719 /nfs/dbraw/zinc/54/07/19/365540719.db2.gz MOQMBDRSOVLKGD-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000121242774 365540720 /nfs/dbraw/zinc/54/07/20/365540720.db2.gz MOQMBDRSOVLKGD-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(F)c1 ZINC000591570860 345264700 /nfs/dbraw/zinc/26/47/00/345264700.db2.gz XTYQBDPYEACHGI-LSDHHAIUSA-N 2 2 261.344 2.447 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)cc1 ZINC000591581119 345266916 /nfs/dbraw/zinc/26/69/16/345266916.db2.gz LBRHMHQYHROLLL-KKUMJFAQSA-N 2 2 261.344 2.299 20 30 CEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593988186 345561225 /nfs/dbraw/zinc/56/12/25/345561225.db2.gz HZOIYOZOJDLRAX-AWEZNQCLSA-N 2 2 279.428 2.111 20 30 CEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593988186 345561228 /nfs/dbraw/zinc/56/12/28/345561228.db2.gz HZOIYOZOJDLRAX-AWEZNQCLSA-N 2 2 279.428 2.111 20 30 CEEDLP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594996909 345723276 /nfs/dbraw/zinc/72/32/76/345723276.db2.gz VHSJDUDMYDIJID-MSOLQXFVSA-N 2 2 299.418 2.290 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595015161 345727301 /nfs/dbraw/zinc/72/73/01/345727301.db2.gz YWCQCPBCYVQNBN-GFCCVEGCSA-N 2 2 260.422 2.318 20 30 CEEDLP C=CCCSCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000595058320 345736865 /nfs/dbraw/zinc/73/68/65/345736865.db2.gz HNKLYKVVAIDCHF-GXTWGEPZSA-N 2 2 254.443 2.368 20 30 CEEDLP C=CCCSCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000595058320 345736866 /nfs/dbraw/zinc/73/68/66/345736866.db2.gz HNKLYKVVAIDCHF-GXTWGEPZSA-N 2 2 254.443 2.368 20 30 CEEDLP N#CCCOCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508696 345799498 /nfs/dbraw/zinc/79/94/98/345799498.db2.gz JGXWSAOPGZUQCA-UHFFFAOYSA-N 2 2 287.407 2.171 20 30 CEEDLP C[N@H+](Cc1c[nH+]c2n1CCC2)Cc1cccc(C#N)c1 ZINC000596979808 346111733 /nfs/dbraw/zinc/11/17/33/346111733.db2.gz PJJHVSIOAFMRLN-UHFFFAOYSA-N 2 2 266.348 2.333 20 30 CEEDLP C[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1cccc(C#N)c1 ZINC000596979808 346111736 /nfs/dbraw/zinc/11/17/36/346111736.db2.gz PJJHVSIOAFMRLN-UHFFFAOYSA-N 2 2 266.348 2.333 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086097 346127014 /nfs/dbraw/zinc/12/70/14/346127014.db2.gz IIXCPNIHCPKTSK-LBPRGKRZSA-N 2 2 255.325 2.049 20 30 CEEDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598588428 346378542 /nfs/dbraw/zinc/37/85/42/346378542.db2.gz LQGWNTPUQBXIRL-GJZGRUSLSA-N 2 2 290.411 2.129 20 30 CEEDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598588428 346378544 /nfs/dbraw/zinc/37/85/44/346378544.db2.gz LQGWNTPUQBXIRL-GJZGRUSLSA-N 2 2 290.411 2.129 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600751391 346684505 /nfs/dbraw/zinc/68/45/05/346684505.db2.gz QZSNDTWIUFJIPT-HZPDHXFCSA-N 2 2 293.455 2.284 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600751391 346684507 /nfs/dbraw/zinc/68/45/07/346684507.db2.gz QZSNDTWIUFJIPT-HZPDHXFCSA-N 2 2 293.455 2.284 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889837 347240297 /nfs/dbraw/zinc/24/02/97/347240297.db2.gz DYQCONBQWKSSCG-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889837 347240300 /nfs/dbraw/zinc/24/03/00/347240300.db2.gz DYQCONBQWKSSCG-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000610762226 347712019 /nfs/dbraw/zinc/71/20/19/347712019.db2.gz PQHVAHXXLMBZGK-DLBZAZTESA-N 2 2 292.471 2.027 20 30 CEEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000610762226 347712022 /nfs/dbraw/zinc/71/20/22/347712022.db2.gz PQHVAHXXLMBZGK-DLBZAZTESA-N 2 2 292.471 2.027 20 30 CEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728949 /nfs/dbraw/zinc/72/89/49/347728949.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728952 /nfs/dbraw/zinc/72/89/52/347728952.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728955 /nfs/dbraw/zinc/72/89/55/347728955.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728959 /nfs/dbraw/zinc/72/89/59/347728959.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000619719919 349228277 /nfs/dbraw/zinc/22/82/77/349228277.db2.gz NGRFEGLFMVIVOS-INIZCTEOSA-N 2 2 294.439 2.302 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000623785281 350110820 /nfs/dbraw/zinc/11/08/20/350110820.db2.gz HYNZRQWJUGSCLP-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000623785281 350110823 /nfs/dbraw/zinc/11/08/23/350110823.db2.gz HYNZRQWJUGSCLP-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629393447 351347946 /nfs/dbraw/zinc/34/79/46/351347946.db2.gz AHINRMPLXHHKSZ-UKRRQHHQSA-N 2 2 290.407 2.490 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153926 198184501 /nfs/dbraw/zinc/18/45/01/198184501.db2.gz NVXGPMDYHIPSQX-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153926 198184503 /nfs/dbraw/zinc/18/45/03/198184503.db2.gz NVXGPMDYHIPSQX-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153926 198184504 /nfs/dbraw/zinc/18/45/04/198184504.db2.gz NVXGPMDYHIPSQX-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292153926 198184506 /nfs/dbraw/zinc/18/45/06/198184506.db2.gz NVXGPMDYHIPSQX-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)o1)C[NH+]1CCCCC1 ZINC000135154297 366402164 /nfs/dbraw/zinc/40/21/64/366402164.db2.gz MSOZKYDYRUJFQW-CYBMUJFWSA-N 2 2 261.369 2.363 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154529497 366778234 /nfs/dbraw/zinc/77/82/34/366778234.db2.gz HBRWALDSYPHROE-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154529497 366778240 /nfs/dbraw/zinc/77/82/40/366778240.db2.gz HBRWALDSYPHROE-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154529497 366778248 /nfs/dbraw/zinc/77/82/48/366778248.db2.gz HBRWALDSYPHROE-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154529497 366778252 /nfs/dbraw/zinc/77/82/52/366778252.db2.gz HBRWALDSYPHROE-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CSC1)C(C)C ZINC000679625605 541296498 /nfs/dbraw/zinc/29/64/98/541296498.db2.gz XRSMQJUWVGFNNW-CQSZACIVSA-N 2 2 254.443 2.390 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340885258 367073818 /nfs/dbraw/zinc/07/38/18/367073818.db2.gz XSBJTLXMMMDDAZ-GFCCVEGCSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340885258 367073824 /nfs/dbraw/zinc/07/38/24/367073824.db2.gz XSBJTLXMMMDDAZ-GFCCVEGCSA-N 2 2 261.344 2.081 20 30 CEEDLP COCC#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412391 541547843 /nfs/dbraw/zinc/54/78/43/541547843.db2.gz MMOHMVXNKDVHCI-WMZOPIPTSA-N 2 2 286.419 2.136 20 30 CEEDLP COCC#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412391 541547847 /nfs/dbraw/zinc/54/78/47/541547847.db2.gz MMOHMVXNKDVHCI-WMZOPIPTSA-N 2 2 286.419 2.136 20 30 CEEDLP C[C@@H]1CC[N@H+](CCCSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246335027 370948319 /nfs/dbraw/zinc/94/83/19/370948319.db2.gz TXTCJIAOXDORRU-ZIAGYGMSSA-N 2 2 278.425 2.413 20 30 CEEDLP C[C@@H]1CC[N@@H+](CCCSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246335027 370948325 /nfs/dbraw/zinc/94/83/25/370948325.db2.gz TXTCJIAOXDORRU-ZIAGYGMSSA-N 2 2 278.425 2.413 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635530703 369206837 /nfs/dbraw/zinc/20/68/37/369206837.db2.gz JNHVEKJIWFIMGG-UHFFFAOYSA-N 2 2 298.390 2.023 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000191442963 369714203 /nfs/dbraw/zinc/71/42/03/369714203.db2.gz XTPJZKBDLXUSFF-BBRMVZONSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000191442963 369714209 /nfs/dbraw/zinc/71/42/09/369714209.db2.gz XTPJZKBDLXUSFF-BBRMVZONSA-N 2 2 283.379 2.176 20 30 CEEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343692 369703946 /nfs/dbraw/zinc/70/39/46/369703946.db2.gz LNVXQJVYVFPWLC-HNNXBMFYSA-N 2 2 297.406 2.493 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264080833 371964663 /nfs/dbraw/zinc/96/46/63/371964663.db2.gz HDVGUVZLRPBGAE-RISCZKNCSA-N 2 2 280.391 2.131 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000264080927 371965552 /nfs/dbraw/zinc/96/55/52/371965552.db2.gz HISPAAXPMKZJBD-CQSZACIVSA-N 2 2 294.468 2.397 20 30 CEEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000270550343 372839033 /nfs/dbraw/zinc/83/90/33/372839033.db2.gz AYQUTRVSZPVSLK-UHFFFAOYSA-N 2 2 271.339 2.466 20 30 CEEDLP C#CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000270550343 372839042 /nfs/dbraw/zinc/83/90/42/372839042.db2.gz AYQUTRVSZPVSLK-UHFFFAOYSA-N 2 2 271.339 2.466 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272603595 373574309 /nfs/dbraw/zinc/57/43/09/373574309.db2.gz JIZUDKFLUNLRKJ-WMZOPIPTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272603595 373574319 /nfs/dbraw/zinc/57/43/19/373574319.db2.gz JIZUDKFLUNLRKJ-WMZOPIPTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272603595 373574328 /nfs/dbraw/zinc/57/43/28/373574328.db2.gz JIZUDKFLUNLRKJ-WMZOPIPTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272603595 373574336 /nfs/dbraw/zinc/57/43/36/373574336.db2.gz JIZUDKFLUNLRKJ-WMZOPIPTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272706397 373623158 /nfs/dbraw/zinc/62/31/58/373623158.db2.gz ZUPFEZIWVDCORU-DOTOQJQBSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272706397 373623166 /nfs/dbraw/zinc/62/31/66/373623166.db2.gz ZUPFEZIWVDCORU-DOTOQJQBSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272706397 373623172 /nfs/dbraw/zinc/62/31/72/373623172.db2.gz ZUPFEZIWVDCORU-DOTOQJQBSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272706397 373623179 /nfs/dbraw/zinc/62/31/79/373623179.db2.gz ZUPFEZIWVDCORU-DOTOQJQBSA-N 2 2 284.403 2.225 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685672 373614872 /nfs/dbraw/zinc/61/48/72/373614872.db2.gz WFWSAPJQEFVEDN-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685672 373614875 /nfs/dbraw/zinc/61/48/75/373614875.db2.gz WFWSAPJQEFVEDN-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685672 373614882 /nfs/dbraw/zinc/61/48/82/373614882.db2.gz WFWSAPJQEFVEDN-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272685672 373614889 /nfs/dbraw/zinc/61/48/89/373614889.db2.gz WFWSAPJQEFVEDN-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000373228034 374301312 /nfs/dbraw/zinc/30/13/12/374301312.db2.gz LJXAGSXSTZWDTP-GFCCVEGCSA-N 2 2 270.336 2.264 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000373228034 374301321 /nfs/dbraw/zinc/30/13/21/374301321.db2.gz LJXAGSXSTZWDTP-GFCCVEGCSA-N 2 2 270.336 2.264 20 30 CEEDLP COc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1C#N ZINC000423120134 377015226 /nfs/dbraw/zinc/01/52/26/377015226.db2.gz FQUUGNYKKMLGRJ-NSHDSACASA-N 2 2 282.347 2.225 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000563709451 377282405 /nfs/dbraw/zinc/28/24/05/377282405.db2.gz UBMIJAOZBPMIRR-JKSUJKDBSA-N 2 2 276.428 2.388 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000563709451 377282412 /nfs/dbraw/zinc/28/24/12/377282412.db2.gz UBMIJAOZBPMIRR-JKSUJKDBSA-N 2 2 276.428 2.388 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292925387 377354625 /nfs/dbraw/zinc/35/46/25/377354625.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292925387 377354631 /nfs/dbraw/zinc/35/46/31/377354631.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292925387 377354640 /nfs/dbraw/zinc/35/46/40/377354640.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292925387 377354646 /nfs/dbraw/zinc/35/46/46/377354646.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1C#N ZINC000293520964 377607007 /nfs/dbraw/zinc/60/70/07/377607007.db2.gz BBMZOOBQPMATEO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1C#N ZINC000293520964 377607011 /nfs/dbraw/zinc/60/70/11/377607011.db2.gz BBMZOOBQPMATEO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1C#N ZINC000293520964 377607015 /nfs/dbraw/zinc/60/70/15/377607015.db2.gz BBMZOOBQPMATEO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1C#N ZINC000293520964 377607021 /nfs/dbraw/zinc/60/70/21/377607021.db2.gz BBMZOOBQPMATEO-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000294916841 378028045 /nfs/dbraw/zinc/02/80/45/378028045.db2.gz GPGZEPLIFQRFJI-GFCCVEGCSA-N 2 2 294.420 2.140 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000294916841 378028049 /nfs/dbraw/zinc/02/80/49/378028049.db2.gz GPGZEPLIFQRFJI-GFCCVEGCSA-N 2 2 294.420 2.140 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398491 378213092 /nfs/dbraw/zinc/21/30/92/378213092.db2.gz VFKWRVWRNQVGIP-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398491 378213095 /nfs/dbraw/zinc/21/30/95/378213095.db2.gz VFKWRVWRNQVGIP-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258586 378843746 /nfs/dbraw/zinc/84/37/46/378843746.db2.gz HWJWBKBVPHPVPX-WMLDXEAASA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258586 378843751 /nfs/dbraw/zinc/84/37/51/378843751.db2.gz HWJWBKBVPHPVPX-WMLDXEAASA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000335328664 208201988 /nfs/dbraw/zinc/20/19/88/208201988.db2.gz ZRXQKNTWWPARAT-SMDDNHRTSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000335328664 208201991 /nfs/dbraw/zinc/20/19/91/208201991.db2.gz ZRXQKNTWWPARAT-SMDDNHRTSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000404696950 533443946 /nfs/dbraw/zinc/44/39/46/533443946.db2.gz WKMNTLWTFSDNNO-IAQYHMDHSA-N 2 2 261.344 2.318 20 30 CEEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000044537235 394506524 /nfs/dbraw/zinc/50/65/24/394506524.db2.gz NTQYIUULCDMPMU-ZDUSSCGKSA-N 2 2 261.344 2.129 20 30 CEEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000044537235 394506526 /nfs/dbraw/zinc/50/65/26/394506526.db2.gz NTQYIUULCDMPMU-ZDUSSCGKSA-N 2 2 261.344 2.129 20 30 CEEDLP CC#CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000360955976 394811567 /nfs/dbraw/zinc/81/15/67/394811567.db2.gz FUJLSEOULBOKNE-UHFFFAOYSA-N 2 2 262.319 2.406 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000290425153 395102475 /nfs/dbraw/zinc/10/24/75/395102475.db2.gz RHTRPAGGRBFUFF-CJNGLKHVSA-N 2 2 254.377 2.383 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000290425153 395102477 /nfs/dbraw/zinc/10/24/77/395102477.db2.gz RHTRPAGGRBFUFF-CJNGLKHVSA-N 2 2 254.377 2.383 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000347004579 395115941 /nfs/dbraw/zinc/11/59/41/395115941.db2.gz ADSAXFHIRXFSRP-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000347004579 395115946 /nfs/dbraw/zinc/11/59/46/395115946.db2.gz ADSAXFHIRXFSRP-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000349341201 395165796 /nfs/dbraw/zinc/16/57/96/395165796.db2.gz JWWNFSHEBDFMPQ-NVXWUHKLSA-N 2 2 284.407 2.328 20 30 CEEDLP C=CC[N@@H+](C)CCN(CC)Cc1[nH+]ccn1C(C)C ZINC000411642253 395334198 /nfs/dbraw/zinc/33/41/98/395334198.db2.gz MOIQXDMZVOVSBB-UHFFFAOYSA-N 2 2 264.417 2.404 20 30 CEEDLP C=CC[N@H+](C)CCN(CC)Cc1[nH+]ccn1C(C)C ZINC000411642253 395334204 /nfs/dbraw/zinc/33/42/04/395334204.db2.gz MOIQXDMZVOVSBB-UHFFFAOYSA-N 2 2 264.417 2.404 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000566412471 395519463 /nfs/dbraw/zinc/51/94/63/395519463.db2.gz GOLLUSIYGSBOKL-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000566412471 395519466 /nfs/dbraw/zinc/51/94/66/395519466.db2.gz GOLLUSIYGSBOKL-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)ccc1C#N ZINC000366929240 156103974 /nfs/dbraw/zinc/10/39/74/156103974.db2.gz HTLWOUIZDLRLAF-HNNXBMFYSA-N 2 2 296.374 2.176 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000548307111 298403840 /nfs/dbraw/zinc/40/38/40/298403840.db2.gz YDGDQFSQPOQQNT-IUODEOHRSA-N 2 2 266.348 2.420 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000559290049 298616016 /nfs/dbraw/zinc/61/60/16/298616016.db2.gz CSTCTSVDHQAVSW-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665230410 415631228 /nfs/dbraw/zinc/63/12/28/415631228.db2.gz OGFSNUKSEGJRDR-FPCVCCKLSA-N 2 2 266.429 2.478 20 30 CEEDLP CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365431228 262365260 /nfs/dbraw/zinc/36/52/60/262365260.db2.gz HMGVBSOAVVAWFL-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365431228 262365262 /nfs/dbraw/zinc/36/52/62/262365262.db2.gz HMGVBSOAVVAWFL-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CCO1 ZINC000278295034 263046670 /nfs/dbraw/zinc/04/66/70/263046670.db2.gz CXJQDBNKCSXLPY-CTASWTNQSA-N 2 2 288.395 2.312 20 30 CEEDLP C=CCc1cc(C[NH2+]CC[NH2+]CCC)cc(OC)c1O ZINC000414878541 263093449 /nfs/dbraw/zinc/09/34/49/263093449.db2.gz ZWEXAMJYOMCCCK-UHFFFAOYSA-N 2 2 278.396 2.219 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414957462 263161785 /nfs/dbraw/zinc/16/17/85/263161785.db2.gz RAEGLIAFNUHPIC-UKRRQHHQSA-N 2 2 290.407 2.490 20 30 CEEDLP CC[NH+]1CCC(CCNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425234940 271142418 /nfs/dbraw/zinc/14/24/18/271142418.db2.gz OKBXAWUNIAWZLC-UHFFFAOYSA-N 2 2 272.396 2.218 20 30 CEEDLP C[NH+](C)CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000348340861 276762364 /nfs/dbraw/zinc/76/23/64/276762364.db2.gz YFHMUUTUPZFUOX-INIZCTEOSA-N 2 2 257.381 2.477 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000414935085 328275259 /nfs/dbraw/zinc/27/52/59/328275259.db2.gz CAGHVIVRKFOBOB-BBRMVZONSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)COC)C(C)C ZINC000268857525 330066645 /nfs/dbraw/zinc/06/66/45/330066645.db2.gz XZIPQEAWNPKJKY-HUUCEWRRSA-N 2 2 254.418 2.310 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423113066 330170763 /nfs/dbraw/zinc/17/07/63/330170763.db2.gz YHTLMSLQUIYIFO-HOCLYGCPSA-N 2 2 290.407 2.108 20 30 CEEDLP N#CC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000540589981 333736023 /nfs/dbraw/zinc/73/60/23/333736023.db2.gz QWAMRXPXBWXXPW-UHFFFAOYSA-N 2 2 256.353 2.262 20 30 CEEDLP C[C@@H](CC[NH2+]C[C@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000577948733 335433282 /nfs/dbraw/zinc/43/32/82/335433282.db2.gz XLCOEHUUNGONLD-GJZGRUSLSA-N 2 2 262.401 2.284 20 30 CEEDLP C=CC[C@H](CO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344320379 527185964 /nfs/dbraw/zinc/18/59/64/527185964.db2.gz DBHBSQKORNJRQV-LBPRGKRZSA-N 2 2 277.393 2.208 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682253 574490633 /nfs/dbraw/zinc/49/06/33/574490633.db2.gz YIYPGGPQAAGKAM-ZFWWWQNUSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682253 574490634 /nfs/dbraw/zinc/49/06/34/574490634.db2.gz YIYPGGPQAAGKAM-ZFWWWQNUSA-N 2 2 285.391 2.304 20 30 CEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000950774217 613297032 /nfs/dbraw/zinc/29/70/32/613297032.db2.gz ZWOZGSTTZJVCGW-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)C)c1ccsc1 ZINC000104166755 624320607 /nfs/dbraw/zinc/32/06/07/624320607.db2.gz ODLXGSXAVWGUDJ-CYBMUJFWSA-N 2 2 282.457 2.444 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926609809 625276831 /nfs/dbraw/zinc/27/68/31/625276831.db2.gz BAFKXTKTNGSZNQ-FZKCQIBNSA-N 2 2 264.413 2.184 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926609809 625276837 /nfs/dbraw/zinc/27/68/37/625276837.db2.gz BAFKXTKTNGSZNQ-FZKCQIBNSA-N 2 2 264.413 2.184 20 30 CEEDLP C#CC[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000895809268 630351032 /nfs/dbraw/zinc/35/10/32/630351032.db2.gz SMBSVBWWCCFYAU-UHFFFAOYSA-N 2 2 284.407 2.173 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000902832027 634850895 /nfs/dbraw/zinc/85/08/95/634850895.db2.gz IFYOFLMSOQIPSK-QEJZJMRPSA-N 2 2 272.396 2.477 20 30 CEEDLP CCO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000926961198 632387625 /nfs/dbraw/zinc/38/76/25/632387625.db2.gz OILSSOVNKJQMIF-CJNGLKHVSA-N 2 2 275.396 2.176 20 30 CEEDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926961584 632389281 /nfs/dbraw/zinc/38/92/81/632389281.db2.gz JQWGLOGAALSEQH-BBRMVZONSA-N 2 2 275.396 2.176 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817983895 633826645 /nfs/dbraw/zinc/82/66/45/633826645.db2.gz KZMOYEUYJKGDBJ-UKRRQHHQSA-N 2 2 273.380 2.382 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817983894 633827331 /nfs/dbraw/zinc/82/73/31/633827331.db2.gz KZMOYEUYJKGDBJ-HIFRSBDPSA-N 2 2 273.380 2.382 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000819022549 634043065 /nfs/dbraw/zinc/04/30/65/634043065.db2.gz QXOPIHAMTIKTRJ-QGZVFWFLSA-N 2 2 292.398 2.408 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000903100060 634969527 /nfs/dbraw/zinc/96/95/27/634969527.db2.gz ICIOZQMBRPHZAW-LSDHHAIUSA-N 2 2 281.444 2.263 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000903100060 634969530 /nfs/dbraw/zinc/96/95/30/634969530.db2.gz ICIOZQMBRPHZAW-LSDHHAIUSA-N 2 2 281.444 2.263 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1C#N ZINC000903858490 635310567 /nfs/dbraw/zinc/31/05/67/635310567.db2.gz IJRCVSIPYLUQPH-HZPDHXFCSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1C#N ZINC000903858490 635310575 /nfs/dbraw/zinc/31/05/75/635310575.db2.gz IJRCVSIPYLUQPH-HZPDHXFCSA-N 2 2 255.365 2.180 20 30 CEEDLP N#CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824645789 635469856 /nfs/dbraw/zinc/46/98/56/635469856.db2.gz PIGKFRIEJSIQJY-UHFFFAOYSA-N 2 2 267.336 2.003 20 30 CEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@]1(C)CCC[NH2+]C1 ZINC000904469383 635646877 /nfs/dbraw/zinc/64/68/77/635646877.db2.gz LDSFQGCMVIYSPC-CQSZACIVSA-N 2 2 263.410 2.441 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CCC[NH2+]C1 ZINC000904469383 635646881 /nfs/dbraw/zinc/64/68/81/635646881.db2.gz LDSFQGCMVIYSPC-CQSZACIVSA-N 2 2 263.410 2.441 20 30 CEEDLP CC(C)(C)[NH+]=C(NCCn1cc[nH+]c1)NCc1ccccc1 ZINC000912498837 638708577 /nfs/dbraw/zinc/70/85/77/638708577.db2.gz JWYGAPMXLVNQII-UHFFFAOYSA-N 2 2 299.422 2.417 20 30 CEEDLP CCCCCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905254 639683689 /nfs/dbraw/zinc/68/36/89/639683689.db2.gz UCPICPZLOXFNMB-UHFFFAOYSA-N 2 2 277.416 2.368 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000237699968 641370963 /nfs/dbraw/zinc/37/09/63/641370963.db2.gz MUJVGNFLCRHZAO-ZFWWWQNUSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000237699968 641370968 /nfs/dbraw/zinc/37/09/68/641370968.db2.gz MUJVGNFLCRHZAO-ZFWWWQNUSA-N 2 2 273.380 2.161 20 30 CEEDLP Nc1ccc2c(c1)C(=[NH+]NCCCn1cc[nH+]c1)CCC2 ZINC000848416236 641984206 /nfs/dbraw/zinc/98/42/06/641984206.db2.gz DAHKAZABCSKIHC-UHFFFAOYSA-N 2 2 283.379 2.186 20 30 CEEDLP C#CCOCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000851922880 643225832 /nfs/dbraw/zinc/22/58/32/643225832.db2.gz POZPPZLGCOAUNK-UHFFFAOYSA-N 2 2 275.396 2.025 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CC=CC2)cc1 ZINC000853674046 643858528 /nfs/dbraw/zinc/85/85/28/643858528.db2.gz PQWFKYBQKJABSD-UHFFFAOYSA-N 2 2 273.380 2.351 20 30 CEEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCO1 ZINC000775340830 646942628 /nfs/dbraw/zinc/94/26/28/646942628.db2.gz IKSCXKVODIBARR-LSDHHAIUSA-N 2 2 287.388 2.204 20 30 CEEDLP CC[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000866588213 647833779 /nfs/dbraw/zinc/83/37/79/647833779.db2.gz SHUNFHWYPDAADL-UHFFFAOYSA-N 2 2 298.434 2.165 20 30 CEEDLP C[NH+]1CCC(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000788481338 648193019 /nfs/dbraw/zinc/19/30/19/648193019.db2.gz IRIJJUZWECNXNQ-UHFFFAOYSA-N 2 2 261.369 2.337 20 30 CEEDLP C[NH+]1CCC(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000788481338 648193022 /nfs/dbraw/zinc/19/30/22/648193022.db2.gz IRIJJUZWECNXNQ-UHFFFAOYSA-N 2 2 261.369 2.337 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCCOC2)CC1 ZINC000872033767 649247648 /nfs/dbraw/zinc/24/76/48/649247648.db2.gz JEPQFNTZWIAXBM-HOCLYGCPSA-N 2 2 266.429 2.432 20 30 CEEDLP CC1([NH+]2CCCCC2)CC[NH+](CCOCCC#N)CC1 ZINC000879952710 651364716 /nfs/dbraw/zinc/36/47/16/651364716.db2.gz YQHKIFJMARFMDW-UHFFFAOYSA-N 2 2 279.428 2.257 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130350 651387120 /nfs/dbraw/zinc/38/71/20/651387120.db2.gz FTDQPALVVCQSGU-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130350 651387121 /nfs/dbraw/zinc/38/71/21/651387121.db2.gz FTDQPALVVCQSGU-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130350 651387122 /nfs/dbraw/zinc/38/71/22/651387122.db2.gz FTDQPALVVCQSGU-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130350 651387123 /nfs/dbraw/zinc/38/71/23/651387123.db2.gz FTDQPALVVCQSGU-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+](CC)C1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001165052848 722004371 /nfs/dbraw/zinc/00/43/71/722004371.db2.gz DEKODTWVCSIYSB-UHFFFAOYSA-N 2 2 272.396 2.458 20 30 CEEDLP C=CCCC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268695229 804930305 /nfs/dbraw/zinc/93/03/05/804930305.db2.gz RSHYAMKSKOLFNW-ZDUSSCGKSA-N 2 2 286.379 2.008 20 30 CEEDLP C#CC[C@H](CCOC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001118884354 815052842 /nfs/dbraw/zinc/05/28/42/815052842.db2.gz WHUWTFOCVQMOOM-CYBMUJFWSA-N 2 2 289.404 2.452 20 30 CEEDLP CC#CC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272920814 808866512 /nfs/dbraw/zinc/86/65/12/808866512.db2.gz NWSUXWBJWGJZSO-ZDUSSCGKSA-N 2 2 287.407 2.128 20 30 CEEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001085280036 810712613 /nfs/dbraw/zinc/71/26/13/810712613.db2.gz RTPSYMGMMIYVCL-HZPDHXFCSA-N 2 2 299.418 2.271 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001044648482 811519147 /nfs/dbraw/zinc/51/91/47/811519147.db2.gz NXMGTUMWNDGHPA-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134499129 813282251 /nfs/dbraw/zinc/28/22/51/813282251.db2.gz XBFDMTMVZHQYOY-HNNXBMFYSA-N 2 2 292.427 2.286 20 30 CEEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741756 813318340 /nfs/dbraw/zinc/31/83/40/813318340.db2.gz ZKXOILDPYSGDJJ-CHWSQXEVSA-N 2 2 298.390 2.073 20 30 CEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969885 813348447 /nfs/dbraw/zinc/34/84/47/813348447.db2.gz OFRHZNHAMYRZHM-STQMWFEESA-N 2 2 286.379 2.007 20 30 CEEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]([NH3+])C[C@H](F)C3)C[C@H](C1)C2 ZINC001246576249 814121742 /nfs/dbraw/zinc/12/17/42/814121742.db2.gz FNBBCNXCELDBQL-DRWKLNATSA-N 2 2 252.377 2.492 20 30 CEEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]([NH3+])C[C@H](F)C3)C[C@H](C1)C2 ZINC001246576249 814121748 /nfs/dbraw/zinc/12/17/48/814121748.db2.gz FNBBCNXCELDBQL-DRWKLNATSA-N 2 2 252.377 2.492 20 30 CEEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712521 814312347 /nfs/dbraw/zinc/31/23/47/814312347.db2.gz CPEPQBPKZWSUKP-LSDHHAIUSA-N 2 2 292.427 2.112 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713229357 814847929 /nfs/dbraw/zinc/84/79/29/814847929.db2.gz VHUCSKFSEBOLOM-UHFFFAOYSA-N 2 2 255.365 2.276 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713229357 814847932 /nfs/dbraw/zinc/84/79/32/814847932.db2.gz VHUCSKFSEBOLOM-UHFFFAOYSA-N 2 2 255.365 2.276 20 30 CEEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140752622 816345045 /nfs/dbraw/zinc/34/50/45/816345045.db2.gz XUTWPHBTCDSNPF-OLZOCXBDSA-N 2 2 291.345 2.220 20 30 CEEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140752622 816345051 /nfs/dbraw/zinc/34/50/51/816345051.db2.gz XUTWPHBTCDSNPF-OLZOCXBDSA-N 2 2 291.345 2.220 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140752622 816345058 /nfs/dbraw/zinc/34/50/58/816345058.db2.gz XUTWPHBTCDSNPF-OLZOCXBDSA-N 2 2 291.345 2.220 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]2C1 ZINC001140752622 816345061 /nfs/dbraw/zinc/34/50/61/816345061.db2.gz XUTWPHBTCDSNPF-OLZOCXBDSA-N 2 2 291.345 2.220 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001140970946 816428252 /nfs/dbraw/zinc/42/82/52/816428252.db2.gz AJJHUFCYOSUOMA-INIZCTEOSA-N 2 2 298.434 2.174 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001140970946 816428253 /nfs/dbraw/zinc/42/82/53/816428253.db2.gz AJJHUFCYOSUOMA-INIZCTEOSA-N 2 2 298.434 2.174 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176828479 816479606 /nfs/dbraw/zinc/47/96/06/816479606.db2.gz BAKUIOWMEFGRKV-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP CC1(C#N)CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001178527281 816758517 /nfs/dbraw/zinc/75/85/17/816758517.db2.gz BQXLFRZHKXPAPY-JVWICGRDSA-N 2 2 258.369 2.260 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000121136049 365525831 /nfs/dbraw/zinc/52/58/31/365525831.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000121136049 365525839 /nfs/dbraw/zinc/52/58/39/365525839.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121136049 365525846 /nfs/dbraw/zinc/52/58/46/365525846.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121136049 365525850 /nfs/dbraw/zinc/52/58/50/365525850.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP CCNC(NC[C@@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]CC ZINC000066243665 343709680 /nfs/dbraw/zinc/70/96/80/343709680.db2.gz LYFLRDPDONUBKZ-AWEZNQCLSA-N 2 2 280.391 2.003 20 30 CEEDLP N#Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351571401 219130673 /nfs/dbraw/zinc/13/06/73/219130673.db2.gz XSTRKZPCSIRYDE-UHFFFAOYSA-N 2 2 289.342 2.232 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000091632024 344169563 /nfs/dbraw/zinc/16/95/63/344169563.db2.gz KNLJNUBOOKBPMJ-CQSZACIVSA-N 2 2 262.401 2.287 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000125254730 344318864 /nfs/dbraw/zinc/31/88/64/344318864.db2.gz HGFWFOQAPGFCOP-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484157 347054798 /nfs/dbraw/zinc/05/47/98/347054798.db2.gz HWZMIWWYXXABMM-KBXCAEBGSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484157 347054799 /nfs/dbraw/zinc/05/47/99/347054799.db2.gz HWZMIWWYXXABMM-KBXCAEBGSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000602484157 347054800 /nfs/dbraw/zinc/05/48/00/347054800.db2.gz HWZMIWWYXXABMM-KBXCAEBGSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000602484157 347054801 /nfs/dbraw/zinc/05/48/01/347054801.db2.gz HWZMIWWYXXABMM-KBXCAEBGSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594935637 345708496 /nfs/dbraw/zinc/70/84/96/345708496.db2.gz BNIBMJREHLGWAK-MRXNPFEDSA-N 2 2 278.359 2.478 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595015163 345727440 /nfs/dbraw/zinc/72/74/40/345727440.db2.gz YWCQCPBCYVQNBN-LBPRGKRZSA-N 2 2 260.422 2.318 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595393566 345773357 /nfs/dbraw/zinc/77/33/57/345773357.db2.gz RXLCPCHWJVGMEZ-MRXNPFEDSA-N 2 2 280.375 2.324 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595393566 345773360 /nfs/dbraw/zinc/77/33/60/345773360.db2.gz RXLCPCHWJVGMEZ-MRXNPFEDSA-N 2 2 280.375 2.324 20 30 CEEDLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000595505767 345798589 /nfs/dbraw/zinc/79/85/89/345798589.db2.gz YAPIVSWRNQIDFG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000595505767 345798590 /nfs/dbraw/zinc/79/85/90/345798590.db2.gz YAPIVSWRNQIDFG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000595505767 345798591 /nfs/dbraw/zinc/79/85/91/345798591.db2.gz YAPIVSWRNQIDFG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000595505767 345798592 /nfs/dbraw/zinc/79/85/92/345798592.db2.gz YAPIVSWRNQIDFG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602647799 347122911 /nfs/dbraw/zinc/12/29/11/347122911.db2.gz NPZMGTNBLFAFJX-AWEZNQCLSA-N 2 2 272.396 2.452 20 30 CEEDLP COCC[N@@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000619424229 349177003 /nfs/dbraw/zinc/17/70/03/349177003.db2.gz VQVROVCXUYKOBA-UHFFFAOYSA-N 2 2 261.369 2.185 20 30 CEEDLP COCC[N@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000619424229 349177008 /nfs/dbraw/zinc/17/70/08/349177008.db2.gz VQVROVCXUYKOBA-UHFFFAOYSA-N 2 2 261.369 2.185 20 30 CEEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086752 350189479 /nfs/dbraw/zinc/18/94/79/350189479.db2.gz UVRQTVLNBVCRMK-JYJNAYRXSA-N 2 2 293.455 2.051 20 30 CEEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086752 350189482 /nfs/dbraw/zinc/18/94/82/350189482.db2.gz UVRQTVLNBVCRMK-JYJNAYRXSA-N 2 2 293.455 2.051 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369392 186213983 /nfs/dbraw/zinc/21/39/83/186213983.db2.gz XXAOVSDWVSLDAG-OAHLLOKOSA-N 2 2 295.471 2.262 20 30 CEEDLP CC[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC(C)C ZINC000072625290 363152221 /nfs/dbraw/zinc/15/22/21/363152221.db2.gz HSEMSHOOKQONPO-UHFFFAOYSA-N 2 2 294.468 2.070 20 30 CEEDLP CC[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC(C)C ZINC000072625290 363152223 /nfs/dbraw/zinc/15/22/23/363152223.db2.gz HSEMSHOOKQONPO-UHFFFAOYSA-N 2 2 294.468 2.070 20 30 CEEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694782 539945655 /nfs/dbraw/zinc/94/56/55/539945655.db2.gz MMEGRKKHXBCSCS-GOEBONIOSA-N 2 2 289.423 2.336 20 30 CEEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694782 539945658 /nfs/dbraw/zinc/94/56/58/539945658.db2.gz MMEGRKKHXBCSCS-GOEBONIOSA-N 2 2 289.423 2.336 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217654982 540411790 /nfs/dbraw/zinc/41/17/90/540411790.db2.gz OATLZACSWJMGIV-HOTGVXAUSA-N 2 2 255.365 2.275 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217654982 540411793 /nfs/dbraw/zinc/41/17/93/540411793.db2.gz OATLZACSWJMGIV-HOTGVXAUSA-N 2 2 255.365 2.275 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000119986267 365355640 /nfs/dbraw/zinc/35/56/40/365355640.db2.gz LMJDBNCLDPZJFL-CQSZACIVSA-N 2 2 292.452 2.321 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000119986267 365355644 /nfs/dbraw/zinc/35/56/44/365355644.db2.gz LMJDBNCLDPZJFL-CQSZACIVSA-N 2 2 292.452 2.321 20 30 CEEDLP C=CCN1CC[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1=O ZINC000343608195 367912588 /nfs/dbraw/zinc/91/25/88/367912588.db2.gz UNKIBNYIJYJJRK-INIZCTEOSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCN1CC[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1=O ZINC000343608195 367912590 /nfs/dbraw/zinc/91/25/90/367912590.db2.gz UNKIBNYIJYJJRK-INIZCTEOSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000635024202 369059118 /nfs/dbraw/zinc/05/91/18/369059118.db2.gz UFUFGBQOJSEQOI-KBPBESRZSA-N 2 2 254.418 2.335 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330876472 203342367 /nfs/dbraw/zinc/34/23/67/203342367.db2.gz FSZAYYPCIPMZDM-AWEZNQCLSA-N 2 2 295.390 2.160 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192839411 369859935 /nfs/dbraw/zinc/85/99/35/369859935.db2.gz HNXMEFGGOCQZGU-CYBMUJFWSA-N 2 2 262.401 2.111 20 30 CEEDLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1C#N ZINC000353235869 370089551 /nfs/dbraw/zinc/08/95/51/370089551.db2.gz CKHTXZGPAKRRGC-UHFFFAOYSA-N 2 2 296.374 2.318 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248169075 371166729 /nfs/dbraw/zinc/16/67/29/371166729.db2.gz UJXJPQWECWHXIS-YQQAZPJKSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248169075 371166741 /nfs/dbraw/zinc/16/67/41/371166741.db2.gz UJXJPQWECWHXIS-YQQAZPJKSA-N 3 2 279.472 2.345 20 30 CEEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264083288 371964809 /nfs/dbraw/zinc/96/48/09/371964809.db2.gz JAPDCKRTXXQMOK-ZDUSSCGKSA-N 2 2 265.405 2.002 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378360812 375081960 /nfs/dbraw/zinc/08/19/60/375081960.db2.gz CQROEDPTWKRPRX-CQSZACIVSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378360812 375081964 /nfs/dbraw/zinc/08/19/64/375081964.db2.gz CQROEDPTWKRPRX-CQSZACIVSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C#N ZINC000282294877 375450408 /nfs/dbraw/zinc/45/04/08/375450408.db2.gz LXCKZSRKRKHSOZ-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C#N ZINC000282294877 375450412 /nfs/dbraw/zinc/45/04/12/375450412.db2.gz LXCKZSRKRKHSOZ-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000314568519 376776129 /nfs/dbraw/zinc/77/61/29/376776129.db2.gz MOEJXZOUPNYAKK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000314568519 376776131 /nfs/dbraw/zinc/77/61/31/376776131.db2.gz MOEJXZOUPNYAKK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000314568519 376776135 /nfs/dbraw/zinc/77/61/35/376776135.db2.gz MOEJXZOUPNYAKK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000314568519 376776138 /nfs/dbraw/zinc/77/61/38/376776138.db2.gz MOEJXZOUPNYAKK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP CCC#C[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000685006980 542110439 /nfs/dbraw/zinc/11/04/39/542110439.db2.gz RMCGHCICZLNZQH-OAHLLOKOSA-N 2 2 257.381 2.314 20 30 CEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)Cn1cc[nH+]c1 ZINC000421328153 376794487 /nfs/dbraw/zinc/79/44/87/376794487.db2.gz RZIKVVBOKIMNLD-GFCCVEGCSA-N 2 2 272.327 2.320 20 30 CEEDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCC[NH2+]1 ZINC000423412669 377270084 /nfs/dbraw/zinc/27/00/84/377270084.db2.gz IMLJZSHMWTVBMY-BLLLJJGKSA-N 2 2 291.370 2.117 20 30 CEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292844173 377309503 /nfs/dbraw/zinc/30/95/03/377309503.db2.gz BIYKIOUKNUABEJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292844173 377309506 /nfs/dbraw/zinc/30/95/06/377309506.db2.gz BIYKIOUKNUABEJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000292844173 377309513 /nfs/dbraw/zinc/30/95/13/377309513.db2.gz BIYKIOUKNUABEJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000292844173 377309518 /nfs/dbraw/zinc/30/95/18/377309518.db2.gz BIYKIOUKNUABEJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C=C(C)[C@H](CO)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000685579653 542163023 /nfs/dbraw/zinc/16/30/23/542163023.db2.gz BJGMWXUDEHBYOS-HNNXBMFYSA-N 2 2 276.380 2.170 20 30 CEEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000332329115 377569071 /nfs/dbraw/zinc/56/90/71/377569071.db2.gz PIWUXQJSZKXSOI-FRXHMLBDSA-N 2 2 274.412 2.186 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000435726904 377808449 /nfs/dbraw/zinc/80/84/49/377808449.db2.gz CFLJAPVOYQJRHQ-FQLMCAECSA-N 2 2 264.413 2.182 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000435726904 377808457 /nfs/dbraw/zinc/80/84/57/377808457.db2.gz CFLJAPVOYQJRHQ-FQLMCAECSA-N 2 2 264.413 2.182 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000295079110 378040037 /nfs/dbraw/zinc/04/00/37/378040037.db2.gz SYPGKOZXRHSRLC-CYBMUJFWSA-N 2 2 276.380 2.007 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000295079110 378040042 /nfs/dbraw/zinc/04/00/42/378040042.db2.gz SYPGKOZXRHSRLC-CYBMUJFWSA-N 2 2 276.380 2.007 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393684 378211474 /nfs/dbraw/zinc/21/14/74/378211474.db2.gz MRSPKMWDNKGIHD-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393684 378211478 /nfs/dbraw/zinc/21/14/78/378211478.db2.gz MRSPKMWDNKGIHD-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000450437489 378416031 /nfs/dbraw/zinc/41/60/31/378416031.db2.gz KTFVYEBQTHIVTR-HNNXBMFYSA-N 2 2 261.413 2.488 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000450437489 378416036 /nfs/dbraw/zinc/41/60/36/378416036.db2.gz KTFVYEBQTHIVTR-HNNXBMFYSA-N 2 2 261.413 2.488 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450632622 378510121 /nfs/dbraw/zinc/51/01/21/378510121.db2.gz QSOVHQUVGCZZNG-AWEZNQCLSA-N 2 2 272.396 2.368 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450632622 378510127 /nfs/dbraw/zinc/51/01/27/378510127.db2.gz QSOVHQUVGCZZNG-AWEZNQCLSA-N 2 2 272.396 2.368 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(C#N)c1 ZINC000453261659 378845797 /nfs/dbraw/zinc/84/57/97/378845797.db2.gz KHFBSJGWPSCJQB-PBHICJAKSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(C#N)c1 ZINC000453261659 378845805 /nfs/dbraw/zinc/84/58/05/378845805.db2.gz KHFBSJGWPSCJQB-PBHICJAKSA-N 2 2 287.407 2.056 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccsc1 ZINC000261969047 394610079 /nfs/dbraw/zinc/61/00/79/394610079.db2.gz CHDPDEYQQXLPCN-LBPRGKRZSA-N 2 2 289.408 2.173 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1ccsc1)[NH+](C)C)NC1CCCC1 ZINC000262945987 394625760 /nfs/dbraw/zinc/62/57/60/394625760.db2.gz AWAKGJKKXAHGEE-AWEZNQCLSA-N 2 2 294.468 2.458 20 30 CEEDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1F ZINC000414129882 394711239 /nfs/dbraw/zinc/71/12/39/394711239.db2.gz VYJRBYMTYPQFKA-NSHDSACASA-N 2 2 272.327 2.324 20 30 CEEDLP COCC1(C#N)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342837940 395024023 /nfs/dbraw/zinc/02/40/23/395024023.db2.gz NGLUFOGSQSIBID-UHFFFAOYSA-N 2 2 284.363 2.086 20 30 CEEDLP Cc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425203564 395051874 /nfs/dbraw/zinc/05/18/74/395051874.db2.gz RKMHDOYTKXSEOL-KRWDZBQOSA-N 2 2 280.375 2.398 20 30 CEEDLP C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289784853 395086232 /nfs/dbraw/zinc/08/62/32/395086232.db2.gz MWUKOTJXHMLXJR-JSGCOSHPSA-N 2 2 257.337 2.070 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208438 395188419 /nfs/dbraw/zinc/18/84/19/395188419.db2.gz SYDREDLVUJZYDM-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208438 395188421 /nfs/dbraw/zinc/18/84/21/395188421.db2.gz SYDREDLVUJZYDM-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208438 395188424 /nfs/dbraw/zinc/18/84/24/395188424.db2.gz SYDREDLVUJZYDM-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208438 395188428 /nfs/dbraw/zinc/18/84/28/395188428.db2.gz SYDREDLVUJZYDM-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)Cc2ccccc2C1 ZINC000442790850 395395068 /nfs/dbraw/zinc/39/50/68/395395068.db2.gz MJFDOAKWEILUEO-PBHICJAKSA-N 2 2 283.419 2.367 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000174263919 165101669 /nfs/dbraw/zinc/10/16/69/165101669.db2.gz MNRYFZWQOPLEAA-UHFFFAOYSA-N 2 2 279.303 2.022 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672445 174370455 /nfs/dbraw/zinc/37/04/55/174370455.db2.gz UNCWRERBFJZDGZ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672445 174370456 /nfs/dbraw/zinc/37/04/56/174370456.db2.gz UNCWRERBFJZDGZ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000657867919 415108695 /nfs/dbraw/zinc/10/86/95/415108695.db2.gz VYPVKHKPNLRVJC-HUUCEWRRSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000657867919 415108697 /nfs/dbraw/zinc/10/86/97/415108697.db2.gz VYPVKHKPNLRVJC-HUUCEWRRSA-N 2 2 254.418 2.289 20 30 CEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CCCCC1 ZINC000263268716 262808846 /nfs/dbraw/zinc/80/88/46/262808846.db2.gz WGPPAWPNVPFKBM-UHFFFAOYSA-N 2 2 289.427 2.217 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414958242 263162624 /nfs/dbraw/zinc/16/26/24/263162624.db2.gz RLDOUIHFVMOEAP-HIFRSBDPSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341876466 263361577 /nfs/dbraw/zinc/36/15/77/263361577.db2.gz JYIXKHRADSDRRV-MSOLQXFVSA-N 2 2 288.435 2.425 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341876466 263361579 /nfs/dbraw/zinc/36/15/79/263361579.db2.gz JYIXKHRADSDRRV-MSOLQXFVSA-N 2 2 288.435 2.425 20 30 CEEDLP C#CCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515398 267868608 /nfs/dbraw/zinc/86/86/08/267868608.db2.gz RPZHZAAJYQFBDQ-DOMZBBRYSA-N 2 2 277.437 2.275 20 30 CEEDLP C#CCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515398 267868610 /nfs/dbraw/zinc/86/86/10/267868610.db2.gz RPZHZAAJYQFBDQ-DOMZBBRYSA-N 2 2 277.437 2.275 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425235148 271141954 /nfs/dbraw/zinc/14/19/54/271141954.db2.gz OTDGKVRDWLDQIB-AWEZNQCLSA-N 2 2 272.396 2.430 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425235148 271141960 /nfs/dbraw/zinc/14/19/60/271141960.db2.gz OTDGKVRDWLDQIB-AWEZNQCLSA-N 2 2 272.396 2.430 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353390915 274233121 /nfs/dbraw/zinc/23/31/21/274233121.db2.gz VRTVCAPKKRWDJN-LRDDRELGSA-N 2 2 266.348 2.420 20 30 CEEDLP Cc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333586871 278709878 /nfs/dbraw/zinc/70/98/78/278709878.db2.gz ONNZRVOCDBECRI-ZIAGYGMSSA-N 2 2 270.380 2.088 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncnc2C)CC1 ZINC000563417771 328063416 /nfs/dbraw/zinc/06/34/16/328063416.db2.gz LPFGJDWBFHMEKO-CYBMUJFWSA-N 2 2 260.385 2.086 20 30 CEEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000377700293 329025535 /nfs/dbraw/zinc/02/55/35/329025535.db2.gz MOUPAKRQWVYPBW-CYBMUJFWSA-N 2 2 260.356 2.401 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972652 330164662 /nfs/dbraw/zinc/16/46/62/330164662.db2.gz ACOWISKDQGRJCP-ZBFHGGJFSA-N 3 2 265.445 2.134 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423109961 330170777 /nfs/dbraw/zinc/17/07/77/330170777.db2.gz UIYZZLPLFAIDJX-CZUORRHYSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449700712 330944840 /nfs/dbraw/zinc/94/48/40/330944840.db2.gz URVXJDCMIYSOJT-ZDUSSCGKSA-N 2 2 259.353 2.059 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540660 613792069 /nfs/dbraw/zinc/79/20/69/613792069.db2.gz WSUXGLPMDYVUIM-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540660 613792072 /nfs/dbraw/zinc/79/20/72/613792072.db2.gz WSUXGLPMDYVUIM-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC(C)C)c1ccsc1 ZINC000104166752 624320555 /nfs/dbraw/zinc/32/05/55/624320555.db2.gz ODLXGSXAVWGUDJ-ZDUSSCGKSA-N 2 2 282.457 2.444 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2ccccc2n1CCC ZINC000328107003 627821426 /nfs/dbraw/zinc/82/14/26/627821426.db2.gz MVLAPKIKKADVPC-UHFFFAOYSA-N 2 2 298.434 2.491 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2ccccc2n1CCC ZINC000328107003 627821428 /nfs/dbraw/zinc/82/14/28/627821428.db2.gz MVLAPKIKKADVPC-UHFFFAOYSA-N 2 2 298.434 2.491 20 30 CEEDLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902465941 634683997 /nfs/dbraw/zinc/68/39/97/634683997.db2.gz HMRNBJSRXXEZFI-ZJIFWQFVSA-N 2 2 255.365 2.492 20 30 CEEDLP C#CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000796006231 629737946 /nfs/dbraw/zinc/73/79/46/629737946.db2.gz UJECSICGLQPORM-UHFFFAOYSA-N 2 2 297.446 2.296 20 30 CEEDLP C#CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000796006231 629737949 /nfs/dbraw/zinc/73/79/49/629737949.db2.gz UJECSICGLQPORM-UHFFFAOYSA-N 2 2 297.446 2.296 20 30 CEEDLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902725918 634795916 /nfs/dbraw/zinc/79/59/16/634795916.db2.gz IHTLCYOYPHYMNO-GFCCVEGCSA-N 2 2 258.369 2.088 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817948732 633794379 /nfs/dbraw/zinc/79/43/79/633794379.db2.gz CZYYNZSAVZGNFJ-ZFWWWQNUSA-N 2 2 273.380 2.382 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000817983937 633825774 /nfs/dbraw/zinc/82/57/74/633825774.db2.gz MABCTPNAVJSCFM-ZBFHGGJFSA-N 2 2 272.392 2.491 20 30 CEEDLP N#CCCC[C@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823162812 635082838 /nfs/dbraw/zinc/08/28/38/635082838.db2.gz AZRFPQDGAJJKNK-LBPRGKRZSA-N 2 2 282.307 2.078 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903559970 635163489 /nfs/dbraw/zinc/16/34/89/635163489.db2.gz PKMJTHHXZJBCRC-OAHLLOKOSA-N 2 2 257.381 2.344 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903559970 635163493 /nfs/dbraw/zinc/16/34/93/635163493.db2.gz PKMJTHHXZJBCRC-OAHLLOKOSA-N 2 2 257.381 2.344 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799935 635276787 /nfs/dbraw/zinc/27/67/87/635276787.db2.gz FPAYINDIAOHMTM-HZPDHXFCSA-N 2 2 255.365 2.262 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799935 635276790 /nfs/dbraw/zinc/27/67/90/635276790.db2.gz FPAYINDIAOHMTM-HZPDHXFCSA-N 2 2 255.365 2.262 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000838282651 643895944 /nfs/dbraw/zinc/89/59/44/643895944.db2.gz SFVUYTQWNTYSPX-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000838282651 643895949 /nfs/dbraw/zinc/89/59/49/643895949.db2.gz SFVUYTQWNTYSPX-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP Cc1c[nH+]ccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000863157520 646656451 /nfs/dbraw/zinc/65/64/51/646656451.db2.gz OCWWNSPAGDUFMR-UHFFFAOYSA-N 2 2 281.363 2.253 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000863547706 646753478 /nfs/dbraw/zinc/75/34/78/646753478.db2.gz RQRUANXIJSFCFH-UMVBOHGHSA-N 2 2 273.380 2.380 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775574790 646968249 /nfs/dbraw/zinc/96/82/49/646968249.db2.gz RSNMTYIOFACGMH-RTBURBONSA-N 2 2 298.430 2.421 20 30 CEEDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccncc2C#N)C1 ZINC000866708573 647878233 /nfs/dbraw/zinc/87/82/33/647878233.db2.gz RUHCZUIVDXVSOA-MRXNPFEDSA-N 2 2 272.396 2.150 20 30 CEEDLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000866708573 647878236 /nfs/dbraw/zinc/87/82/36/647878236.db2.gz RUHCZUIVDXVSOA-MRXNPFEDSA-N 2 2 272.396 2.150 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136388 651389461 /nfs/dbraw/zinc/38/94/61/651389461.db2.gz LAEDZNVXBIFKHP-HZPDHXFCSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136388 651389463 /nfs/dbraw/zinc/38/94/63/651389463.db2.gz LAEDZNVXBIFKHP-HZPDHXFCSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000880136388 651389465 /nfs/dbraw/zinc/38/94/65/651389465.db2.gz LAEDZNVXBIFKHP-HZPDHXFCSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000880136388 651389468 /nfs/dbraw/zinc/38/94/68/651389468.db2.gz LAEDZNVXBIFKHP-HZPDHXFCSA-N 2 2 291.439 2.255 20 30 CEEDLP CC#CC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267813240 803749773 /nfs/dbraw/zinc/74/97/73/803749773.db2.gz QFYNRZOYNCZWEK-OAHLLOKOSA-N 2 2 287.407 2.128 20 30 CEEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027463117 804080767 /nfs/dbraw/zinc/08/07/67/804080767.db2.gz RWUFSLSZOZVKBK-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027463117 804080776 /nfs/dbraw/zinc/08/07/76/804080776.db2.gz RWUFSLSZOZVKBK-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235988293 807907066 /nfs/dbraw/zinc/90/70/66/807907066.db2.gz GLYIXNHWLSEDOM-HOCLYGCPSA-N 2 2 258.365 2.175 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235988293 807907068 /nfs/dbraw/zinc/90/70/68/807907068.db2.gz GLYIXNHWLSEDOM-HOCLYGCPSA-N 2 2 258.365 2.175 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450758114 808961754 /nfs/dbraw/zinc/96/17/54/808961754.db2.gz NMLGYQVHKABQPT-JKSUJKDBSA-N 2 2 293.455 2.407 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450758114 808961760 /nfs/dbraw/zinc/96/17/60/808961760.db2.gz NMLGYQVHKABQPT-JKSUJKDBSA-N 2 2 293.455 2.407 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C)c(C#N)c2)CC1 ZINC000701871496 809469230 /nfs/dbraw/zinc/46/92/30/809469230.db2.gz HUSFXWDCICXZIQ-UHFFFAOYSA-N 2 2 257.381 2.441 20 30 CEEDLP C[NH+]1C[C@@]2(C)C[NH+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000706252327 809811155 /nfs/dbraw/zinc/81/11/55/809811155.db2.gz DXNIGKUJABTAMY-IRXDYDNUSA-N 2 2 269.392 2.332 20 30 CEEDLP C=CCC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023507 811952364 /nfs/dbraw/zinc/95/23/64/811952364.db2.gz ZJRSUPAGVCOFBL-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739758 813318485 /nfs/dbraw/zinc/31/84/85/813318485.db2.gz JOAQLWHDUYWNOE-STQMWFEESA-N 2 2 298.390 2.073 20 30 CEEDLP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CSCC[NH2+]3)C[C@H](C1)C2 ZINC001246337429 813792170 /nfs/dbraw/zinc/79/21/70/813792170.db2.gz SUKYTPLKTOWXLQ-IZGVIRRGSA-N 2 2 266.454 2.416 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001171178577 814059391 /nfs/dbraw/zinc/05/93/91/814059391.db2.gz HFISRFZKKLRYLZ-CZUORRHYSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001171178577 814059398 /nfs/dbraw/zinc/05/93/98/814059398.db2.gz HFISRFZKKLRYLZ-CZUORRHYSA-N 2 2 257.381 2.173 20 30 CEEDLP C[NH+]1CCC2(C[NH+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC001141167054 816494631 /nfs/dbraw/zinc/49/46/31/816494631.db2.gz WFSGKDFXMLMORM-UHFFFAOYSA-N 2 2 273.355 2.225 20 30 CEEDLP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000127333257 365742259 /nfs/dbraw/zinc/74/22/59/365742259.db2.gz SMEVBDGVTDBAID-OAHLLOKOSA-N 2 2 297.406 2.122 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567987244 299104902 /nfs/dbraw/zinc/10/49/02/299104902.db2.gz WZEHOIJJGJCYFJ-UHFFFAOYSA-N 2 2 299.334 2.185 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567987244 299104903 /nfs/dbraw/zinc/10/49/03/299104903.db2.gz WZEHOIJJGJCYFJ-UHFFFAOYSA-N 2 2 299.334 2.185 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)C1CC1 ZINC000090047214 344134159 /nfs/dbraw/zinc/13/41/59/344134159.db2.gz URLHDRUNXQBGKA-GOEBONIOSA-N 2 2 266.429 2.432 20 30 CEEDLP N#CCCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178895270 344504474 /nfs/dbraw/zinc/50/44/74/344504474.db2.gz DMCCXDZOVFCPGQ-UHFFFAOYSA-N 2 2 293.334 2.316 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000602503369 347059621 /nfs/dbraw/zinc/05/96/21/347059621.db2.gz IHJPPPSKVSPSEQ-CYBMUJFWSA-N 2 2 267.417 2.015 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000602567834 347081679 /nfs/dbraw/zinc/08/16/79/347081679.db2.gz GVPZZMVSZAVREN-SQWLQELKSA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000602567834 347081683 /nfs/dbraw/zinc/08/16/83/347081683.db2.gz GVPZZMVSZAVREN-SQWLQELKSA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573258 345265435 /nfs/dbraw/zinc/26/54/35/345265435.db2.gz BQTPWFVGJBPOIH-YGRLFVJLSA-N 2 2 263.772 2.299 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000592291239 345342535 /nfs/dbraw/zinc/34/25/35/345342535.db2.gz WSPOLZCEQXPSHL-UHFFFAOYSA-N 2 2 270.380 2.303 20 30 CEEDLP Cc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2[nH+]1 ZINC000594429099 345628067 /nfs/dbraw/zinc/62/80/67/345628067.db2.gz QTCCEMVWVDWOOY-LBPRGKRZSA-N 2 2 285.351 2.221 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1F ZINC000594946423 345713581 /nfs/dbraw/zinc/71/35/81/345713581.db2.gz PIEVDDPQTJYWBF-UHFFFAOYSA-N 2 2 270.311 2.130 20 30 CEEDLP N#Cc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCOCC2)c1 ZINC000595769836 345871648 /nfs/dbraw/zinc/87/16/48/345871648.db2.gz TYZJNKWBYMCXCW-UHFFFAOYSA-N 2 2 282.347 2.077 20 30 CEEDLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)C#N ZINC000596989969 346112748 /nfs/dbraw/zinc/11/27/48/346112748.db2.gz BIFRZBORZAMRBY-CYBMUJFWSA-N 2 2 269.352 2.249 20 30 CEEDLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)C#N ZINC000596989969 346112752 /nfs/dbraw/zinc/11/27/52/346112752.db2.gz BIFRZBORZAMRBY-CYBMUJFWSA-N 2 2 269.352 2.249 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000599300892 346494622 /nfs/dbraw/zinc/49/46/22/346494622.db2.gz YYANRKQRZUWKSE-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000599300892 346494625 /nfs/dbraw/zinc/49/46/25/346494625.db2.gz YYANRKQRZUWKSE-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600740193 346682095 /nfs/dbraw/zinc/68/20/95/346682095.db2.gz UBGUECGCJBCCFQ-JKSUJKDBSA-N 2 2 293.455 2.141 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000611390283 347772524 /nfs/dbraw/zinc/77/25/24/347772524.db2.gz OKRPMRGVVXJTMI-INIZCTEOSA-N 2 2 266.348 2.422 20 30 CEEDLP C=C(C)C[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000362298397 539709650 /nfs/dbraw/zinc/70/96/50/539709650.db2.gz VFJZRGKIKVQOCW-OAHLLOKOSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)C[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000362298397 539709652 /nfs/dbraw/zinc/70/96/52/539709652.db2.gz VFJZRGKIKVQOCW-OAHLLOKOSA-N 2 2 295.471 2.073 20 30 CEEDLP CCC#C[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088720 350650984 /nfs/dbraw/zinc/65/09/84/350650984.db2.gz KRJFCSURCGJBKS-INIZCTEOSA-N 2 2 278.440 2.365 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc(OC)c1O ZINC000629390178 351347118 /nfs/dbraw/zinc/34/71/18/351347118.db2.gz LZAYDVHZPFXYNY-LSDHHAIUSA-N 2 2 290.407 2.359 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629393448 351348415 /nfs/dbraw/zinc/34/84/15/351348415.db2.gz AHINRMPLXHHKSZ-ZFWWWQNUSA-N 2 2 290.407 2.490 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339153266 366678874 /nfs/dbraw/zinc/67/88/74/366678874.db2.gz HCDPJEDKSPYNNX-CABCVRRESA-N 2 2 270.380 2.204 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2nccn2C)CC1 ZINC000182869501 189338106 /nfs/dbraw/zinc/33/81/06/189338106.db2.gz MJGQEGAKKDQLEC-CQSZACIVSA-N 2 2 262.401 2.111 20 30 CEEDLP COc1cc[nH+]c(N2CC[NH+](CCC(C)(C)C#N)CC2)c1 ZINC000119912496 365343838 /nfs/dbraw/zinc/34/38/38/365343838.db2.gz VIRPEFMSXSGPKO-UHFFFAOYSA-N 2 2 288.395 2.152 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954311 /nfs/dbraw/zinc/95/43/11/367954311.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954316 /nfs/dbraw/zinc/95/43/16/367954316.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954321 /nfs/dbraw/zinc/95/43/21/367954321.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954326 /nfs/dbraw/zinc/95/43/26/367954326.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675042 368481864 /nfs/dbraw/zinc/48/18/64/368481864.db2.gz GZYBBELSWOIRAX-YOEHRIQHSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675042 368481871 /nfs/dbraw/zinc/48/18/71/368481871.db2.gz GZYBBELSWOIRAX-YOEHRIQHSA-N 2 2 287.407 2.320 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088904 370900521 /nfs/dbraw/zinc/90/05/21/370900521.db2.gz RFEPYAAEJAAMJU-CZUORRHYSA-N 2 2 289.448 2.331 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088904 370900527 /nfs/dbraw/zinc/90/05/27/370900527.db2.gz RFEPYAAEJAAMJU-CZUORRHYSA-N 2 2 289.448 2.331 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635021900 369059391 /nfs/dbraw/zinc/05/93/91/369059391.db2.gz PIORKRPPMLCUOK-HUUCEWRRSA-N 2 2 266.429 2.335 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264080836 371965618 /nfs/dbraw/zinc/96/56/18/371965618.db2.gz HDVGUVZLRPBGAE-SMDDNHRTSA-N 2 2 280.391 2.131 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100287 371969245 /nfs/dbraw/zinc/96/92/45/371969245.db2.gz MQDFCDLOTSOJPL-DOMZBBRYSA-N 2 2 292.427 2.001 20 30 CEEDLP COC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344299332 217138887 /nfs/dbraw/zinc/13/88/87/217138887.db2.gz FRZMAFKDLSZGDR-AWEZNQCLSA-N 2 2 287.407 2.147 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334178037 206150521 /nfs/dbraw/zinc/15/05/21/206150521.db2.gz CRICCWIBOCONGY-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000334178037 206150524 /nfs/dbraw/zinc/15/05/24/206150524.db2.gz CRICCWIBOCONGY-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP N#Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376730280 374723539 /nfs/dbraw/zinc/72/35/39/374723539.db2.gz WNKORUAJNMDFLC-UHFFFAOYSA-N 2 2 266.348 2.381 20 30 CEEDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1C#N ZINC000282156017 375415922 /nfs/dbraw/zinc/41/59/22/375415922.db2.gz DAFAMXWYRUXLOT-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1C#N ZINC000282156017 375415926 /nfs/dbraw/zinc/41/59/26/375415926.db2.gz DAFAMXWYRUXLOT-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000282156017 375415930 /nfs/dbraw/zinc/41/59/30/375415930.db2.gz DAFAMXWYRUXLOT-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000282156017 375415934 /nfs/dbraw/zinc/41/59/34/375415934.db2.gz DAFAMXWYRUXLOT-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412750 542134146 /nfs/dbraw/zinc/13/41/46/542134146.db2.gz RKNGXRMGIXGMHA-IBGZPJMESA-N 2 2 298.430 2.225 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412750 542134148 /nfs/dbraw/zinc/13/41/48/542134148.db2.gz RKNGXRMGIXGMHA-IBGZPJMESA-N 2 2 298.430 2.225 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000291173618 377105502 /nfs/dbraw/zinc/10/55/02/377105502.db2.gz KCOSVLLGBZSFHF-UHFFFAOYSA-N 2 2 284.354 2.098 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156291 377575493 /nfs/dbraw/zinc/57/54/93/377575493.db2.gz HTYLCWOVUJNXLQ-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156291 377575499 /nfs/dbraw/zinc/57/54/99/377575499.db2.gz HTYLCWOVUJNXLQ-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP C=CC[NH+]1CCC(Nc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431412344 377639265 /nfs/dbraw/zinc/63/92/65/377639265.db2.gz FQULCXKFBFIFAL-UHFFFAOYSA-N 2 2 288.370 2.197 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000294547230 377996566 /nfs/dbraw/zinc/99/65/66/377996566.db2.gz AZFODAQXNPHAQX-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000294547230 377996568 /nfs/dbraw/zinc/99/65/68/377996568.db2.gz AZFODAQXNPHAQX-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000555880829 380855157 /nfs/dbraw/zinc/85/51/57/380855157.db2.gz VECKEHJGRPEKAB-QGZVFWFLSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)CC ZINC000555880829 380855163 /nfs/dbraw/zinc/85/51/63/380855163.db2.gz VECKEHJGRPEKAB-QGZVFWFLSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000555880829 380855169 /nfs/dbraw/zinc/85/51/69/380855169.db2.gz VECKEHJGRPEKAB-QGZVFWFLSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000555880829 380855174 /nfs/dbraw/zinc/85/51/74/380855174.db2.gz VECKEHJGRPEKAB-QGZVFWFLSA-N 2 2 276.424 2.030 20 30 CEEDLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000281462924 195249123 /nfs/dbraw/zinc/24/91/23/195249123.db2.gz BAEMAVSTDPJMQC-ZDUSSCGKSA-N 2 2 284.363 2.189 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684198 394508206 /nfs/dbraw/zinc/50/82/06/394508206.db2.gz RZXBOYJGOLJLCW-WFASDCNBSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684198 394508208 /nfs/dbraw/zinc/50/82/08/394508208.db2.gz RZXBOYJGOLJLCW-WFASDCNBSA-N 2 2 255.365 2.446 20 30 CEEDLP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1C#N ZINC000414832601 394760329 /nfs/dbraw/zinc/76/03/29/394760329.db2.gz DVMMNVJEFGCFBA-CQSZACIVSA-N 2 2 261.369 2.030 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1F ZINC000423370830 394905028 /nfs/dbraw/zinc/90/50/28/394905028.db2.gz UQLZYOFUONZTBU-JRPNMDOOSA-N 2 2 261.344 2.346 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987590 394999954 /nfs/dbraw/zinc/99/99/54/394999954.db2.gz UJXJPQWECWHXIS-INMHGKMJSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987590 394999955 /nfs/dbraw/zinc/99/99/55/394999955.db2.gz UJXJPQWECWHXIS-INMHGKMJSA-N 3 2 279.472 2.345 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373209207 395056892 /nfs/dbraw/zinc/05/68/92/395056892.db2.gz VTHKPMDJINNZLP-LVQVYYBASA-N 2 2 279.428 2.158 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373209207 395056894 /nfs/dbraw/zinc/05/68/94/395056894.db2.gz VTHKPMDJINNZLP-LVQVYYBASA-N 2 2 279.428 2.158 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000375876425 395102514 /nfs/dbraw/zinc/10/25/14/395102514.db2.gz QKYRBQZXQPCHMY-ZFWWWQNUSA-N 2 2 281.363 2.439 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000346225253 395092335 /nfs/dbraw/zinc/09/23/35/395092335.db2.gz WBLPHJCQDYMEGI-LBPRGKRZSA-N 2 2 269.352 2.167 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000346225253 395092337 /nfs/dbraw/zinc/09/23/37/395092337.db2.gz WBLPHJCQDYMEGI-LBPRGKRZSA-N 2 2 269.352 2.167 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000351842913 395238435 /nfs/dbraw/zinc/23/84/35/395238435.db2.gz BBDKEJXXYZHVCH-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000351842913 395238438 /nfs/dbraw/zinc/23/84/38/395238438.db2.gz BBDKEJXXYZHVCH-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353413401 395297295 /nfs/dbraw/zinc/29/72/95/395297295.db2.gz PMJJCSMWXCDCJX-AEFFLSMTSA-N 2 2 299.418 2.246 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353413401 395297297 /nfs/dbraw/zinc/29/72/97/395297297.db2.gz PMJJCSMWXCDCJX-AEFFLSMTSA-N 2 2 299.418 2.246 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353413405 395297380 /nfs/dbraw/zinc/29/73/80/395297380.db2.gz PMJJCSMWXCDCJX-WMZOPIPTSA-N 2 2 299.418 2.246 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353413405 395297382 /nfs/dbraw/zinc/29/73/82/395297382.db2.gz PMJJCSMWXCDCJX-WMZOPIPTSA-N 2 2 299.418 2.246 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000442675000 395390940 /nfs/dbraw/zinc/39/09/40/395390940.db2.gz ASKCSBONZTWBTP-AWEZNQCLSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000442675000 395390943 /nfs/dbraw/zinc/39/09/43/395390943.db2.gz ASKCSBONZTWBTP-AWEZNQCLSA-N 2 2 287.407 2.008 20 30 CEEDLP Cc1[nH+]cc(CNc2[nH+]cccc2OCCCC#N)n1C ZINC000568260745 395554766 /nfs/dbraw/zinc/55/47/66/395554766.db2.gz ZKYJFGFTORKUFP-UHFFFAOYSA-N 2 2 285.351 2.418 20 30 CEEDLP C=CCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000569899640 395580953 /nfs/dbraw/zinc/58/09/53/395580953.db2.gz GMLNRHMDSLDYQA-SJORKVTESA-N 2 2 279.472 2.301 20 30 CEEDLP C=CCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000569899640 395580955 /nfs/dbraw/zinc/58/09/55/395580955.db2.gz GMLNRHMDSLDYQA-SJORKVTESA-N 2 2 279.472 2.301 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000368135028 156294224 /nfs/dbraw/zinc/29/42/24/156294224.db2.gz OBSDKFJDSURALN-HNNXBMFYSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000368135028 156294228 /nfs/dbraw/zinc/29/42/28/156294228.db2.gz OBSDKFJDSURALN-HNNXBMFYSA-N 2 2 296.374 2.290 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000558508411 298592165 /nfs/dbraw/zinc/59/21/65/298592165.db2.gz FSWGTDZROLEEMI-ZBFHGGJFSA-N 2 2 278.359 2.347 20 30 CEEDLP N#CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037404998 173180928 /nfs/dbraw/zinc/18/09/28/173180928.db2.gz FVFYJRZJAFLIGD-UHFFFAOYSA-N 2 2 257.381 2.197 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000365199594 262283664 /nfs/dbraw/zinc/28/36/64/262283664.db2.gz UJEKTMNQSGTRHH-KBPBESRZSA-N 2 2 272.396 2.434 20 30 CEEDLP N#CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273146444 263013357 /nfs/dbraw/zinc/01/33/57/263013357.db2.gz GOSQGAHWENEGES-UHFFFAOYSA-N 2 2 282.391 2.416 20 30 CEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000278503791 263048454 /nfs/dbraw/zinc/04/84/54/263048454.db2.gz APWGJYSMYMTRIC-BARDWOONSA-N 2 2 258.369 2.458 20 30 CEEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000278503791 263048455 /nfs/dbraw/zinc/04/84/55/263048455.db2.gz APWGJYSMYMTRIC-BARDWOONSA-N 2 2 258.369 2.458 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000414932104 263137979 /nfs/dbraw/zinc/13/79/79/263137979.db2.gz RESUVUKIWHTJPI-SNVBAGLBSA-N 2 2 254.761 2.342 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414958243 263162739 /nfs/dbraw/zinc/16/27/39/263162739.db2.gz RLDOUIHFVMOEAP-UKRRQHHQSA-N 2 2 260.381 2.482 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367702032 267111364 /nfs/dbraw/zinc/11/13/64/267111364.db2.gz LNTBUSCKRJDPFT-MRXNPFEDSA-N 2 2 295.386 2.422 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367702032 267111367 /nfs/dbraw/zinc/11/13/67/267111367.db2.gz LNTBUSCKRJDPFT-MRXNPFEDSA-N 2 2 295.386 2.422 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000368051632 267143072 /nfs/dbraw/zinc/14/30/72/267143072.db2.gz OOVHLAQOAGNFCJ-KRWDZBQOSA-N 2 2 271.408 2.293 20 30 CEEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+]1CCCCC1 ZINC000562986966 327735751 /nfs/dbraw/zinc/73/57/51/327735751.db2.gz FEUBTPWUOVCQRE-GJZGRUSLSA-N 2 2 262.401 2.142 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc(OC)c1O ZINC000414940837 328277540 /nfs/dbraw/zinc/27/75/40/328277540.db2.gz YBWDDJPPBOSXJY-IUODEOHRSA-N 2 2 290.407 2.217 20 30 CEEDLP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000564444342 327075002 /nfs/dbraw/zinc/07/50/02/327075002.db2.gz NTLQUYIYBUVKHD-CQSZACIVSA-N 2 2 262.401 2.140 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)(C)C ZINC000491670761 332278023 /nfs/dbraw/zinc/27/80/23/332278023.db2.gz RAZDEZFMXBDZRY-OAHLLOKOSA-N 2 2 294.439 2.042 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151219249 523528485 /nfs/dbraw/zinc/52/84/85/523528485.db2.gz SUAZGSXKYNUONF-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151219249 523528487 /nfs/dbraw/zinc/52/84/87/523528487.db2.gz SUAZGSXKYNUONF-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP N#Cc1csc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000748099485 575178308 /nfs/dbraw/zinc/17/83/08/575178308.db2.gz QLXPZCJXLDITMZ-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP N#Cc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000748100088 575178326 /nfs/dbraw/zinc/17/83/26/575178326.db2.gz CPNHAZQRPFSBES-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321158 627876991 /nfs/dbraw/zinc/87/69/91/627876991.db2.gz ZCDNYLSWPGUNAZ-INIZCTEOSA-N 2 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321158 627876993 /nfs/dbraw/zinc/87/69/93/627876993.db2.gz ZCDNYLSWPGUNAZ-INIZCTEOSA-N 2 2 296.418 2.478 20 30 CEEDLP C[C@@H]([NH3+])[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1 ZINC000925893714 628987424 /nfs/dbraw/zinc/98/74/24/628987424.db2.gz QQAULALQIILRHT-DYVFJYSZSA-N 2 2 295.390 2.043 20 30 CEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000925214884 631177064 /nfs/dbraw/zinc/17/70/64/631177064.db2.gz NQKJVDIHRPBMAU-GXTWGEPZSA-N 2 2 269.458 2.342 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000817952483 633797232 /nfs/dbraw/zinc/79/72/32/633797232.db2.gz QZEIAXMGEFTVGD-ZFWWWQNUSA-N 2 2 258.365 2.101 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000817967981 633811655 /nfs/dbraw/zinc/81/16/55/633811655.db2.gz DMZPHUAXAWIYPH-XEZPLFJOSA-N 2 2 273.380 2.238 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903091718 634974295 /nfs/dbraw/zinc/97/42/95/634974295.db2.gz ZCVOGGBGFLUQSH-HNNXBMFYSA-N 2 2 264.413 2.328 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000903177291 634999538 /nfs/dbraw/zinc/99/95/38/634999538.db2.gz JYCLHXWJPJDMND-OAHLLOKOSA-N 2 2 288.439 2.289 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000903177291 634999542 /nfs/dbraw/zinc/99/95/42/634999542.db2.gz JYCLHXWJPJDMND-OAHLLOKOSA-N 2 2 288.439 2.289 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1C#N ZINC000903858492 635310594 /nfs/dbraw/zinc/31/05/94/635310594.db2.gz IJRCVSIPYLUQPH-JKSUJKDBSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1C#N ZINC000903858492 635310600 /nfs/dbraw/zinc/31/06/00/635310600.db2.gz IJRCVSIPYLUQPH-JKSUJKDBSA-N 2 2 255.365 2.180 20 30 CEEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876989300 650521951 /nfs/dbraw/zinc/52/19/51/650521951.db2.gz XUZBFYGMGKJKKW-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876989300 650521956 /nfs/dbraw/zinc/52/19/56/650521956.db2.gz XUZBFYGMGKJKKW-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP CN1CCCc2cc(C=[NH+]NCCCn3cc[nH+]c3)ccc21 ZINC000848417861 641986233 /nfs/dbraw/zinc/98/62/33/641986233.db2.gz FXMWIWLLGMIUCV-UHFFFAOYSA-N 2 2 297.406 2.279 20 30 CEEDLP N#Cc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cs1 ZINC000921795696 642627243 /nfs/dbraw/zinc/62/72/43/642627243.db2.gz YFHQRLPFRKUTJN-GFCCVEGCSA-N 2 2 272.377 2.483 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742434 650887494 /nfs/dbraw/zinc/88/74/94/650887494.db2.gz PKRZRTGCRBEHFY-HOTGVXAUSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742434 650887497 /nfs/dbraw/zinc/88/74/97/650887497.db2.gz PKRZRTGCRBEHFY-HOTGVXAUSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877742434 650887501 /nfs/dbraw/zinc/88/75/01/650887501.db2.gz PKRZRTGCRBEHFY-HOTGVXAUSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877742434 650887506 /nfs/dbraw/zinc/88/75/06/650887506.db2.gz PKRZRTGCRBEHFY-HOTGVXAUSA-N 2 2 285.391 2.093 20 30 CEEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCc1cccnc1 ZINC000776187667 647034088 /nfs/dbraw/zinc/03/40/88/647034088.db2.gz KORHSTIMZXQWSB-UHFFFAOYSA-N 2 2 256.309 2.093 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@@H+]1C ZINC000865475312 647314453 /nfs/dbraw/zinc/31/44/53/647314453.db2.gz KMVDAIPSSHSJFT-CZUORRHYSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@H+]1C ZINC000865475312 647314458 /nfs/dbraw/zinc/31/44/58/647314458.db2.gz KMVDAIPSSHSJFT-CZUORRHYSA-N 2 2 286.423 2.197 20 30 CEEDLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCc1cccc(C#N)c1 ZINC000873218974 649595052 /nfs/dbraw/zinc/59/50/52/649595052.db2.gz CCXRWLATLRXFGY-MRXNPFEDSA-N 2 2 259.397 2.406 20 30 CEEDLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000873218974 649595056 /nfs/dbraw/zinc/59/50/56/649595056.db2.gz CCXRWLATLRXFGY-MRXNPFEDSA-N 2 2 259.397 2.406 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000128134054 651374803 /nfs/dbraw/zinc/37/48/03/651374803.db2.gz BWOBGTIPPNPBNI-RISCZKNCSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000128134054 651374807 /nfs/dbraw/zinc/37/48/07/651374807.db2.gz BWOBGTIPPNPBNI-RISCZKNCSA-N 2 2 261.344 2.270 20 30 CEEDLP C#Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000883132668 652373396 /nfs/dbraw/zinc/37/33/96/652373396.db2.gz ZZYAMHAJCDUGQF-UHFFFAOYSA-N 2 2 285.416 2.476 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663515 806585210 /nfs/dbraw/zinc/58/52/10/806585210.db2.gz GNJZAHMPKXHOJZ-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663515 806585215 /nfs/dbraw/zinc/58/52/15/806585215.db2.gz GNJZAHMPKXHOJZ-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001269096271 805044107 /nfs/dbraw/zinc/04/41/07/805044107.db2.gz WLQXPLHDFRBJDU-OAHLLOKOSA-N 2 2 287.407 2.291 20 30 CEEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524968 815191602 /nfs/dbraw/zinc/19/16/02/815191602.db2.gz BQLMBPIIPHQVQP-ZDUSSCGKSA-N 2 2 298.390 2.074 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052908 815192654 /nfs/dbraw/zinc/19/26/54/815192654.db2.gz AYFIEOCFNKJIRN-RDJZCZTQSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052908 815192656 /nfs/dbraw/zinc/19/26/56/815192656.db2.gz AYFIEOCFNKJIRN-RDJZCZTQSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC#Cc1ccccc1 ZINC001120052908 815192659 /nfs/dbraw/zinc/19/26/59/815192659.db2.gz AYFIEOCFNKJIRN-RDJZCZTQSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC001120052908 815192661 /nfs/dbraw/zinc/19/26/61/815192661.db2.gz AYFIEOCFNKJIRN-RDJZCZTQSA-N 2 2 256.393 2.310 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001044678667 811522875 /nfs/dbraw/zinc/52/28/75/811522875.db2.gz XXIBJSRRRHRMLE-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171176391 814059939 /nfs/dbraw/zinc/05/99/39/814059939.db2.gz RQSAUFIBYIWVDG-AWEZNQCLSA-N 2 2 259.397 2.421 20 30 CEEDLP C#CCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116767245 814881595 /nfs/dbraw/zinc/88/15/95/814881595.db2.gz TWGGHOXQZYRBAT-UHFFFAOYSA-N 2 2 268.320 2.318 20 30 CEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CC1 ZINC000057153070 343625185 /nfs/dbraw/zinc/62/51/85/343625185.db2.gz GFXZIWFKYQRIFN-UHFFFAOYSA-N 2 2 296.374 2.155 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000602562915 347079121 /nfs/dbraw/zinc/07/91/21/347079121.db2.gz IIFIATWLYIAOOV-HOCLYGCPSA-N 2 2 291.439 2.159 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000602562915 347079124 /nfs/dbraw/zinc/07/91/24/347079124.db2.gz IIFIATWLYIAOOV-HOCLYGCPSA-N 2 2 291.439 2.159 20 30 CEEDLP Cc1cc(N2CCC([NH2+]C(C)C)CC2)c(C#N)c[nH+]1 ZINC000591820841 345284626 /nfs/dbraw/zinc/28/46/26/345284626.db2.gz CJGCJPRGCAQMOM-UHFFFAOYSA-N 2 2 258.369 2.229 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000594955671 345715873 /nfs/dbraw/zinc/71/58/73/345715873.db2.gz ROSHVXIQHIQXCR-CZUORRHYSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000594955671 345715876 /nfs/dbraw/zinc/71/58/76/345715876.db2.gz ROSHVXIQHIQXCR-CZUORRHYSA-N 2 2 269.392 2.316 20 30 CEEDLP N#C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000061892054 362697074 /nfs/dbraw/zinc/69/70/74/362697074.db2.gz YRRDXCPWNOVEEI-UKRRQHHQSA-N 2 2 270.380 2.332 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000599084043 346457913 /nfs/dbraw/zinc/45/79/13/346457913.db2.gz OWARVSDNNSGZNQ-HZPDHXFCSA-N 2 2 291.439 2.255 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600607414 346661215 /nfs/dbraw/zinc/66/12/15/346661215.db2.gz YBPHTWSDTPKMSH-HOCLYGCPSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600607414 346661216 /nfs/dbraw/zinc/66/12/16/346661216.db2.gz YBPHTWSDTPKMSH-HOCLYGCPSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000600721016 346678557 /nfs/dbraw/zinc/67/85/57/346678557.db2.gz JWRDGPBWZQSCRW-ZDUSSCGKSA-N 2 2 298.390 2.140 20 30 CEEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157342 347629386 /nfs/dbraw/zinc/62/93/86/347629386.db2.gz DXSXBZMBGKPCIZ-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157342 347629390 /nfs/dbraw/zinc/62/93/90/347629390.db2.gz DXSXBZMBGKPCIZ-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000619720541 349228936 /nfs/dbraw/zinc/22/89/36/349228936.db2.gz PUHSMCNSNSIPAC-HNNXBMFYSA-N 2 2 291.395 2.103 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000091666403 180222516 /nfs/dbraw/zinc/22/25/16/180222516.db2.gz HEIRMWHGYUHUAG-XKQJLSEDSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000091666403 180222518 /nfs/dbraw/zinc/22/25/18/180222518.db2.gz HEIRMWHGYUHUAG-XKQJLSEDSA-N 2 2 285.391 2.072 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000106245697 186105041 /nfs/dbraw/zinc/10/50/41/186105041.db2.gz MUJIHNZMUSEMKI-UHFFFAOYSA-N 2 2 276.428 2.167 20 30 CEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108368208 186213947 /nfs/dbraw/zinc/21/39/47/186213947.db2.gz XDLCFAQPLFVYPW-OAHLLOKOSA-N 2 2 293.455 2.038 20 30 CEEDLP CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131500437 366059574 /nfs/dbraw/zinc/05/95/74/366059574.db2.gz FOIIOPUDPCHTAW-MRXNPFEDSA-N 2 2 295.471 2.371 20 30 CEEDLP CCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131500437 366059580 /nfs/dbraw/zinc/05/95/80/366059580.db2.gz FOIIOPUDPCHTAW-MRXNPFEDSA-N 2 2 295.471 2.371 20 30 CEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C)C1 ZINC000072894706 363179563 /nfs/dbraw/zinc/17/95/63/363179563.db2.gz HPWQLWZCSCMCCK-CYBMUJFWSA-N 2 2 289.427 2.027 20 30 CEEDLP CC1CC[NH+](CCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135133720 366399472 /nfs/dbraw/zinc/39/94/72/366399472.db2.gz NEJZJOHRZZBVAR-UHFFFAOYSA-N 2 2 261.369 2.363 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000136406426 366512368 /nfs/dbraw/zinc/51/23/68/366512368.db2.gz QSPBZWCMRJHXJV-UHFFFAOYSA-N 2 2 283.379 2.393 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000136406426 366512372 /nfs/dbraw/zinc/51/23/72/366512372.db2.gz QSPBZWCMRJHXJV-UHFFFAOYSA-N 2 2 283.379 2.393 20 30 CEEDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000176748880 189007383 /nfs/dbraw/zinc/00/73/83/189007383.db2.gz IRYYYHQITUSUGD-UHFFFAOYSA-N 2 2 291.395 2.130 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000179837615 189223007 /nfs/dbraw/zinc/22/30/07/189223007.db2.gz XLWFHZGENUQEKL-UHFFFAOYSA-N 2 2 274.368 2.162 20 30 CEEDLP COCC#CC[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000679952983 541344266 /nfs/dbraw/zinc/34/42/66/541344266.db2.gz NGYSLEZGYDSLMF-UHFFFAOYSA-N 2 2 258.365 2.219 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000582062861 366856885 /nfs/dbraw/zinc/85/68/85/366856885.db2.gz DXQFMRQRMZTGRA-HNNXBMFYSA-N 2 2 289.423 2.144 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000582062861 366856889 /nfs/dbraw/zinc/85/68/89/366856889.db2.gz DXQFMRQRMZTGRA-HNNXBMFYSA-N 2 2 289.423 2.144 20 30 CEEDLP COCC#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412388 541547977 /nfs/dbraw/zinc/54/79/77/541547977.db2.gz MMOHMVXNKDVHCI-AEFFLSMTSA-N 2 2 286.419 2.136 20 30 CEEDLP COCC#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412388 541547981 /nfs/dbraw/zinc/54/79/81/541547981.db2.gz MMOHMVXNKDVHCI-AEFFLSMTSA-N 2 2 286.419 2.136 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174352125 368013209 /nfs/dbraw/zinc/01/32/09/368013209.db2.gz UXRKOVIUVWIAJK-ZDUSSCGKSA-N 2 2 261.369 2.361 20 30 CEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174352125 368013217 /nfs/dbraw/zinc/01/32/17/368013217.db2.gz UXRKOVIUVWIAJK-ZDUSSCGKSA-N 2 2 261.369 2.361 20 30 CEEDLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000346171362 368574063 /nfs/dbraw/zinc/57/40/63/368574063.db2.gz RPJUDSDZYIVDAL-QGZVFWFLSA-N 2 2 296.374 2.137 20 30 CEEDLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000346171362 368574071 /nfs/dbraw/zinc/57/40/71/368574071.db2.gz RPJUDSDZYIVDAL-QGZVFWFLSA-N 2 2 296.374 2.137 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000346550526 368714723 /nfs/dbraw/zinc/71/47/23/368714723.db2.gz COHQXEIZOFYSLL-CABCVRRESA-N 2 2 279.428 2.017 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H](C)C1 ZINC000346550526 368714727 /nfs/dbraw/zinc/71/47/27/368714727.db2.gz COHQXEIZOFYSLL-CABCVRRESA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330819895 203275415 /nfs/dbraw/zinc/27/54/15/203275415.db2.gz MPOGDPALGLKFDU-CQSZACIVSA-N 2 2 295.390 2.160 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000218035001 370203735 /nfs/dbraw/zinc/20/37/35/370203735.db2.gz IVJKPGAMHVHELJ-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000218035001 370203744 /nfs/dbraw/zinc/20/37/44/370203744.db2.gz IVJKPGAMHVHELJ-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000358745487 371201952 /nfs/dbraw/zinc/20/19/52/371201952.db2.gz FCDMBLQVEKSWJP-INIZCTEOSA-N 2 2 288.439 2.428 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100295 371969068 /nfs/dbraw/zinc/96/90/68/371969068.db2.gz MQDFCDLOTSOJPL-SWLSCSKDSA-N 2 2 292.427 2.001 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264101310 371970347 /nfs/dbraw/zinc/97/03/47/371970347.db2.gz OAIKDBQIJCZNCG-AWEZNQCLSA-N 2 2 280.391 2.133 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641719415 372655622 /nfs/dbraw/zinc/65/56/22/372655622.db2.gz QKDBFEKDMOXNAF-UHFFFAOYSA-N 2 2 286.379 2.009 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000353430905 220078735 /nfs/dbraw/zinc/07/87/35/220078735.db2.gz XBEZKKWATTXZEL-HNNXBMFYSA-N 2 2 252.321 2.032 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000365420128 372856040 /nfs/dbraw/zinc/85/60/40/372856040.db2.gz DNCBVZGCFRXKNK-OAHLLOKOSA-N 2 2 297.406 2.122 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000365420128 372856047 /nfs/dbraw/zinc/85/60/47/372856047.db2.gz DNCBVZGCFRXKNK-OAHLLOKOSA-N 2 2 297.406 2.122 20 30 CEEDLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000365420128 372856055 /nfs/dbraw/zinc/85/60/55/372856055.db2.gz DNCBVZGCFRXKNK-OAHLLOKOSA-N 2 2 297.406 2.122 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367622676 373168090 /nfs/dbraw/zinc/16/80/90/373168090.db2.gz UXFNTUAVTISSML-CQSZACIVSA-N 2 2 260.385 2.027 20 30 CEEDLP C=C(Cl)C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369150200 373346005 /nfs/dbraw/zinc/34/60/05/373346005.db2.gz VVPATGAAXIOVGO-UHFFFAOYSA-N 2 2 285.863 2.231 20 30 CEEDLP CCC#C[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684629130 542049061 /nfs/dbraw/zinc/04/90/61/542049061.db2.gz ZINCJWFXGNIICR-CQSZACIVSA-N 2 2 273.380 2.014 20 30 CEEDLP C=CCN1CC[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1=O ZINC000289531640 376397867 /nfs/dbraw/zinc/39/78/67/376397867.db2.gz FGGLAASUULWMSG-MRXNPFEDSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1=O ZINC000289531640 376397871 /nfs/dbraw/zinc/39/78/71/376397871.db2.gz FGGLAASUULWMSG-MRXNPFEDSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCN1CC[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1=O ZINC000289531637 376398059 /nfs/dbraw/zinc/39/80/59/376398059.db2.gz FGGLAASUULWMSG-INIZCTEOSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCN1CC[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1=O ZINC000289531637 376398060 /nfs/dbraw/zinc/39/80/60/376398060.db2.gz FGGLAASUULWMSG-INIZCTEOSA-N 2 2 287.407 2.041 20 30 CEEDLP CC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915733 376736201 /nfs/dbraw/zinc/73/62/01/376736201.db2.gz MLEYFHLFTIJSSW-UHFFFAOYSA-N 2 2 287.407 2.254 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915733 376736207 /nfs/dbraw/zinc/73/62/07/376736207.db2.gz MLEYFHLFTIJSSW-UHFFFAOYSA-N 2 2 287.407 2.254 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350283 376743349 /nfs/dbraw/zinc/74/33/49/376743349.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350283 376743350 /nfs/dbraw/zinc/74/33/50/376743350.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000290350283 376743355 /nfs/dbraw/zinc/74/33/55/376743355.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000290350283 376743360 /nfs/dbraw/zinc/74/33/60/376743360.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000428223131 377487832 /nfs/dbraw/zinc/48/78/32/377487832.db2.gz OSVCANHPKMZPIX-HIFRSBDPSA-N 2 2 252.402 2.184 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000294544573 377996218 /nfs/dbraw/zinc/99/62/18/377996218.db2.gz ATWQXGSXOLXPNA-NSHDSACASA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000294544573 377996221 /nfs/dbraw/zinc/99/62/21/377996221.db2.gz ATWQXGSXOLXPNA-NSHDSACASA-N 2 2 251.399 2.057 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ncc(C)s2)CC1 ZINC000295175461 378046584 /nfs/dbraw/zinc/04/65/84/378046584.db2.gz LZTNYPLRNNZALB-UHFFFAOYSA-N 2 2 251.399 2.192 20 30 CEEDLP Cn1cc[nH+]c1CC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450371139 378380320 /nfs/dbraw/zinc/38/03/20/378380320.db2.gz DXOWLTCHYRRSDA-UHFFFAOYSA-N 2 2 272.396 2.368 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530219450 380197361 /nfs/dbraw/zinc/19/73/61/380197361.db2.gz LTUYKCOFRHYOGH-DOMZBBRYSA-N 2 2 255.365 2.493 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000281826642 195398289 /nfs/dbraw/zinc/39/82/89/195398289.db2.gz XIHJKJBTXAPPKY-WFASDCNBSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000281826642 195398290 /nfs/dbraw/zinc/39/82/90/195398290.db2.gz XIHJKJBTXAPPKY-WFASDCNBSA-N 2 2 285.391 2.282 20 30 CEEDLP C=CC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301630257 394462735 /nfs/dbraw/zinc/46/27/35/394462735.db2.gz BCKVEPPWNIECNZ-UHFFFAOYSA-N 2 2 260.385 2.464 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261997259 394610997 /nfs/dbraw/zinc/61/09/97/394610997.db2.gz ODGKMHLEIGEIGB-GFCCVEGCSA-N 2 2 294.468 2.055 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000261997259 394611000 /nfs/dbraw/zinc/61/10/00/394611000.db2.gz ODGKMHLEIGEIGB-GFCCVEGCSA-N 2 2 294.468 2.055 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1(C)COC1)C(C)C ZINC000285253276 394955143 /nfs/dbraw/zinc/95/51/43/394955143.db2.gz ASSAJGDUTAKQAG-OAHLLOKOSA-N 2 2 266.429 2.311 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000152941198 394999668 /nfs/dbraw/zinc/99/96/68/394999668.db2.gz QVZFJJFBOKZKIL-GOEBONIOSA-N 3 2 265.445 2.099 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427106541 395092384 /nfs/dbraw/zinc/09/23/84/395092384.db2.gz FGNJEYYWICXXGN-GOEBONIOSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427106541 395092387 /nfs/dbraw/zinc/09/23/87/395092387.db2.gz FGNJEYYWICXXGN-GOEBONIOSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]C)CC2)c1 ZINC000347002752 395116443 /nfs/dbraw/zinc/11/64/43/395116443.db2.gz JTWVDAXUGIMRCZ-UHFFFAOYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCC(OC)CC2)C1 ZINC000651753117 401383848 /nfs/dbraw/zinc/38/38/48/401383848.db2.gz DSQUTHNTFZUEAA-GJZGRUSLSA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]CC(C)(C)CCC#N ZINC000347772431 289484612 /nfs/dbraw/zinc/48/46/12/289484612.db2.gz ASFDZZGTRKLRKJ-CQSZACIVSA-N 2 2 267.417 2.017 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000656694406 415819100 /nfs/dbraw/zinc/81/91/00/415819100.db2.gz LTPNZWFOBVDSKT-AWEZNQCLSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000656694406 415819103 /nfs/dbraw/zinc/81/91/03/415819103.db2.gz LTPNZWFOBVDSKT-AWEZNQCLSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000656694406 415819109 /nfs/dbraw/zinc/81/91/09/415819109.db2.gz LTPNZWFOBVDSKT-AWEZNQCLSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000656694406 415819113 /nfs/dbraw/zinc/81/91/13/415819113.db2.gz LTPNZWFOBVDSKT-AWEZNQCLSA-N 2 2 282.453 2.437 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000072658888 260277922 /nfs/dbraw/zinc/27/79/22/260277922.db2.gz WNUORZQMEGTOJR-UHFFFAOYSA-N 2 2 297.406 2.413 20 30 CEEDLP CN(CCC#N)c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367685459 262242593 /nfs/dbraw/zinc/24/25/93/262242593.db2.gz MQMSGXGRDHBFBZ-UHFFFAOYSA-N 2 2 298.434 2.316 20 30 CEEDLP CN(CCC#N)c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000367685459 262242595 /nfs/dbraw/zinc/24/25/95/262242595.db2.gz MQMSGXGRDHBFBZ-UHFFFAOYSA-N 2 2 298.434 2.316 20 30 CEEDLP CC#CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266623 268062049 /nfs/dbraw/zinc/06/20/49/268062049.db2.gz LCPJFQUHBAJABT-UHFFFAOYSA-N 3 2 291.483 2.138 20 30 CEEDLP CC#CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266623 268062050 /nfs/dbraw/zinc/06/20/50/268062050.db2.gz LCPJFQUHBAJABT-UHFFFAOYSA-N 3 2 291.483 2.138 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530244658 268263534 /nfs/dbraw/zinc/26/35/34/268263534.db2.gz PDJWOMZDFGLLRL-ROUUACIJSA-N 2 2 299.418 2.198 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530244658 268263536 /nfs/dbraw/zinc/26/35/36/268263536.db2.gz PDJWOMZDFGLLRL-ROUUACIJSA-N 2 2 299.418 2.198 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181716094 329236009 /nfs/dbraw/zinc/23/60/09/329236009.db2.gz ZRBIDSCBUPOPJT-XHSDSOJGSA-N 2 2 278.440 2.430 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974519 330164685 /nfs/dbraw/zinc/16/46/85/330164685.db2.gz FAQAZVMXINGRRO-HOCLYGCPSA-N 3 2 265.445 2.005 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424314535 330339093 /nfs/dbraw/zinc/33/90/93/330339093.db2.gz OPXPUVSVLVPCDP-LOXOPEBLSA-N 2 2 278.440 2.430 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000451612043 331036936 /nfs/dbraw/zinc/03/69/36/331036936.db2.gz JUTQWZAQYCHDQU-CVEARBPZSA-N 2 2 260.381 2.052 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000451612043 331036937 /nfs/dbraw/zinc/03/69/37/331036937.db2.gz JUTQWZAQYCHDQU-CVEARBPZSA-N 2 2 260.381 2.052 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000491070273 332145696 /nfs/dbraw/zinc/14/56/96/332145696.db2.gz AKXQIXCBWZQXFD-CQSZACIVSA-N 2 2 276.428 2.378 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000491070273 332145697 /nfs/dbraw/zinc/14/56/97/332145697.db2.gz AKXQIXCBWZQXFD-CQSZACIVSA-N 2 2 276.428 2.378 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000491804539 332358508 /nfs/dbraw/zinc/35/85/08/332358508.db2.gz LTQGOVZILHZOSY-MRXNPFEDSA-N 2 2 277.387 2.463 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000491804539 332358509 /nfs/dbraw/zinc/35/85/09/332358509.db2.gz LTQGOVZILHZOSY-MRXNPFEDSA-N 2 2 277.387 2.463 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000328105443 627821445 /nfs/dbraw/zinc/82/14/45/627821445.db2.gz MKPKIQSSDRBOJQ-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000328105443 627821448 /nfs/dbraw/zinc/82/14/48/627821448.db2.gz MKPKIQSSDRBOJQ-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000328149016 627860549 /nfs/dbraw/zinc/86/05/49/627860549.db2.gz DULGERTXLCMUOY-OAHLLOKOSA-N 2 2 257.381 2.004 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000328149016 627860552 /nfs/dbraw/zinc/86/05/52/627860552.db2.gz DULGERTXLCMUOY-OAHLLOKOSA-N 2 2 257.381 2.004 20 30 CEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1cccc(Cl)c1 ZINC000261750685 629181286 /nfs/dbraw/zinc/18/12/86/629181286.db2.gz FDBUQCZOQFEWJS-UHFFFAOYSA-N 2 2 294.830 2.053 20 30 CEEDLP C#CC[NH+]1CCC(Nc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000895811953 630358464 /nfs/dbraw/zinc/35/84/64/630358464.db2.gz LJZIUFDFUBBQCH-UHFFFAOYSA-N 2 2 286.354 2.222 20 30 CEEDLP CSc1ccc([C@@H](CNC(=[NH2+])N2CCC2)[NH+](C)C)cc1 ZINC000263169501 631353702 /nfs/dbraw/zinc/35/37/02/631353702.db2.gz RVBLBYGNOQCFPJ-CQSZACIVSA-N 2 2 292.452 2.032 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000815652243 633044432 /nfs/dbraw/zinc/04/44/32/633044432.db2.gz UXJRWHVOZUVYKZ-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000815652243 633044438 /nfs/dbraw/zinc/04/44/38/633044438.db2.gz UXJRWHVOZUVYKZ-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817919493 633777769 /nfs/dbraw/zinc/77/77/69/633777769.db2.gz RUTFSTYXIXFFEE-YSVLISHTSA-N 2 2 287.407 2.455 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000817967980 633812244 /nfs/dbraw/zinc/81/22/44/633812244.db2.gz DMZPHUAXAWIYPH-WWGRRREGSA-N 2 2 273.380 2.238 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070304 634966329 /nfs/dbraw/zinc/96/63/29/634966329.db2.gz TWCKZBHPLJSESG-DZGCQCFKSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070304 634966332 /nfs/dbraw/zinc/96/63/32/634966332.db2.gz TWCKZBHPLJSESG-DZGCQCFKSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000823617782 635233721 /nfs/dbraw/zinc/23/37/21/635233721.db2.gz MSZLWFUVLBHJAD-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000823617782 635233724 /nfs/dbraw/zinc/23/37/24/635233724.db2.gz MSZLWFUVLBHJAD-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730239 650412697 /nfs/dbraw/zinc/41/26/97/650412697.db2.gz DIGLXWQJFCBEFT-HNNXBMFYSA-N 2 2 286.423 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730239 650412700 /nfs/dbraw/zinc/41/27/00/650412700.db2.gz DIGLXWQJFCBEFT-HNNXBMFYSA-N 2 2 286.423 2.008 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC000930001345 640924536 /nfs/dbraw/zinc/92/45/36/640924536.db2.gz UYDFDKWVCYHXCM-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC000930001345 640924538 /nfs/dbraw/zinc/92/45/38/640924538.db2.gz UYDFDKWVCYHXCM-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC000930001345 640924540 /nfs/dbraw/zinc/92/45/40/640924540.db2.gz UYDFDKWVCYHXCM-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC000930001345 640924541 /nfs/dbraw/zinc/92/45/41/640924541.db2.gz UYDFDKWVCYHXCM-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC(=NNCCCn1cc[nH+]c1)c1cccc(C[NH+](C)C)c1 ZINC000848416791 641984957 /nfs/dbraw/zinc/98/49/57/641984957.db2.gz YKYRKFGVZLNINL-UHFFFAOYSA-N 2 2 299.422 2.349 20 30 CEEDLP CC(=NNCCCn1cc[nH+]c1)c1ccc(C[NH+](C)C)cc1 ZINC000848416814 641984977 /nfs/dbraw/zinc/98/49/77/641984977.db2.gz ZKDMAIVWBGRSOS-UHFFFAOYSA-N 2 2 299.422 2.349 20 30 CEEDLP CCc1ccc([C@H](CNC(NC2CC2)=[NH+]C)[NH+](C)C)cc1 ZINC000848981462 642203937 /nfs/dbraw/zinc/20/39/37/642203937.db2.gz AVQCWGCZQFXHSY-INIZCTEOSA-N 2 2 288.439 2.179 20 30 CEEDLP C#CCOCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000851843090 643186911 /nfs/dbraw/zinc/18/69/11/643186911.db2.gz YWMSPLXZFJOEMQ-UHFFFAOYSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CCOCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000851843090 643186914 /nfs/dbraw/zinc/18/69/14/643186914.db2.gz YWMSPLXZFJOEMQ-UHFFFAOYSA-N 2 2 286.419 2.233 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858127391 645057792 /nfs/dbraw/zinc/05/77/92/645057792.db2.gz DOOKGZXWEQDUDM-SNVBAGLBSA-N 2 2 261.207 2.357 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858127391 645057795 /nfs/dbraw/zinc/05/77/95/645057795.db2.gz DOOKGZXWEQDUDM-SNVBAGLBSA-N 2 2 261.207 2.357 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000779063741 647284775 /nfs/dbraw/zinc/28/47/75/647284775.db2.gz DJAHHOGDCBRAJA-HIFRSBDPSA-N 2 2 296.374 2.451 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000873281038 649624201 /nfs/dbraw/zinc/62/42/01/649624201.db2.gz XBQIKCUYFBGOJT-LSDHHAIUSA-N 2 2 266.429 2.335 20 30 CEEDLP C=CCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208910 651401590 /nfs/dbraw/zinc/40/15/90/651401590.db2.gz MIFPOGQFTGJVFL-HNNXBMFYSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208910 651401592 /nfs/dbraw/zinc/40/15/92/651401592.db2.gz MIFPOGQFTGJVFL-HNNXBMFYSA-N 2 2 252.402 2.186 20 30 CEEDLP C[NH+]1CCc2c(C#N)c(NC3=CC[N@H+](C)CC3)sc2C1 ZINC001208717413 802402644 /nfs/dbraw/zinc/40/26/44/802402644.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C[NH+]1CCc2c(C#N)c(NC3=CC[N@@H+](C)CC3)sc2C1 ZINC001208717413 802402647 /nfs/dbraw/zinc/40/26/47/802402647.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C[NH+]1CC=C(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)CC1 ZINC001208717413 802402652 /nfs/dbraw/zinc/40/26/52/802402652.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C[NH+]1CC=C(Nc2sc3c(c2C#N)CC[N@H+](C)C3)CC1 ZINC001208717413 802402656 /nfs/dbraw/zinc/40/26/56/802402656.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C[NH+]1CCC(=Nc2sc3c(c2C#N)CC[N@@H+](C)C3)CC1 ZINC001208717413 802402660 /nfs/dbraw/zinc/40/26/60/802402660.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C[NH+]1CCC(=Nc2sc3c(c2C#N)CC[N@H+](C)C3)CC1 ZINC001208717413 802402665 /nfs/dbraw/zinc/40/26/65/802402665.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 2 2 288.420 2.239 20 30 CEEDLP C#Cc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222247112 803819408 /nfs/dbraw/zinc/81/94/08/803819408.db2.gz CNZCGPISJSTSLL-KRWDZBQOSA-N 2 2 254.377 2.386 20 30 CEEDLP C#Cc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222247112 803819417 /nfs/dbraw/zinc/81/94/17/803819417.db2.gz CNZCGPISJSTSLL-KRWDZBQOSA-N 2 2 254.377 2.386 20 30 CEEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027463118 804080516 /nfs/dbraw/zinc/08/05/16/804080516.db2.gz RWUFSLSZOZVKBK-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027463118 804080526 /nfs/dbraw/zinc/08/05/26/804080526.db2.gz RWUFSLSZOZVKBK-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453103809 809036081 /nfs/dbraw/zinc/03/60/81/809036081.db2.gz SGUKLSCSZSLETA-LSDHHAIUSA-N 2 2 264.413 2.184 20 30 CEEDLP C[C@@H](CCCC#N)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001172493890 815453068 /nfs/dbraw/zinc/45/30/68/815453068.db2.gz DOJNZODMXQYUEG-AWEZNQCLSA-N 2 2 261.413 2.486 20 30 CEEDLP C[C@@H](CCCC#N)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001172493890 815453074 /nfs/dbraw/zinc/45/30/74/815453074.db2.gz DOJNZODMXQYUEG-AWEZNQCLSA-N 2 2 261.413 2.486 20 30 CEEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315067 811734003 /nfs/dbraw/zinc/73/40/03/811734003.db2.gz RAQLGGOVOMNTLS-KRWDZBQOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315067 811734006 /nfs/dbraw/zinc/73/40/06/811734006.db2.gz RAQLGGOVOMNTLS-KRWDZBQOSA-N 2 2 298.390 2.023 20 30 CEEDLP N#CC1(c2ccccc2)CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001170358884 812393130 /nfs/dbraw/zinc/39/31/30/812393130.db2.gz CAZBIXDJTRVWRM-LXPRWKDFSA-N 2 2 299.418 2.050 20 30 CEEDLP N#CC1(c2ccccc2)CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001170358884 812393141 /nfs/dbraw/zinc/39/31/41/812393141.db2.gz CAZBIXDJTRVWRM-LXPRWKDFSA-N 2 2 299.418 2.050 20 30 CEEDLP CC#CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522418 814140614 /nfs/dbraw/zinc/14/06/14/814140614.db2.gz MAHOTKFQASHMAD-UHFFFAOYSA-N 2 2 299.418 2.128 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000030909713 343406216 /nfs/dbraw/zinc/40/62/16/343406216.db2.gz SRWVKUYEOIFSGR-HNNXBMFYSA-N 2 2 297.406 2.411 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353172 343470118 /nfs/dbraw/zinc/47/01/18/343470118.db2.gz QEXYPFQFLZRNCE-UHFFFAOYSA-N 2 2 254.337 2.325 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602005167 346955898 /nfs/dbraw/zinc/95/58/98/346955898.db2.gz NELXSTJIWULWIV-ZIAGYGMSSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602005167 346955899 /nfs/dbraw/zinc/95/58/99/346955899.db2.gz NELXSTJIWULWIV-ZIAGYGMSSA-N 2 2 273.355 2.414 20 30 CEEDLP C=CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000127156385 187286243 /nfs/dbraw/zinc/28/62/43/187286243.db2.gz FJYDUTRTRMGZLA-AWEZNQCLSA-N 2 2 273.380 2.132 20 30 CEEDLP C=CC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000127156385 187286245 /nfs/dbraw/zinc/28/62/45/187286245.db2.gz FJYDUTRTRMGZLA-AWEZNQCLSA-N 2 2 273.380 2.132 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000106245129 344257729 /nfs/dbraw/zinc/25/77/29/344257729.db2.gz VBDREMWYYZTLCD-UHFFFAOYSA-N 2 2 284.407 2.464 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048589 /nfs/dbraw/zinc/04/85/89/347048589.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048591 /nfs/dbraw/zinc/04/85/91/347048591.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048595 /nfs/dbraw/zinc/04/85/95/347048595.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048597 /nfs/dbraw/zinc/04/85/97/347048597.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000602521944 347065530 /nfs/dbraw/zinc/06/55/30/347065530.db2.gz PRFIIPIDPDBKKT-UHFFFAOYSA-N 2 2 270.380 2.060 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000591573331 345265173 /nfs/dbraw/zinc/26/51/73/345265173.db2.gz MIYLMERTMRCZNB-HZMBPMFUSA-N 2 2 263.772 2.442 20 30 CEEDLP N#Cc1cnccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000592488448 345359762 /nfs/dbraw/zinc/35/97/62/345359762.db2.gz NIKIFFHBFZXRPE-UHFFFAOYSA-N 2 2 272.396 2.294 20 30 CEEDLP N#Cc1cnccc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000592488448 345359763 /nfs/dbraw/zinc/35/97/63/345359763.db2.gz NIKIFFHBFZXRPE-UHFFFAOYSA-N 2 2 272.396 2.294 20 30 CEEDLP COC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593184192 345450351 /nfs/dbraw/zinc/45/03/51/345450351.db2.gz YUMSVCWYDMUXFL-AWEZNQCLSA-N 2 2 287.407 2.147 20 30 CEEDLP C[C@@]1(C#N)CC[N@H+](C/C=C/C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595841846 345895750 /nfs/dbraw/zinc/89/57/50/345895750.db2.gz AGVMEZNTZTZVAB-ZOSBBBERSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[N@@H+](C/C=C/C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595841846 345895751 /nfs/dbraw/zinc/89/57/51/345895751.db2.gz AGVMEZNTZTZVAB-ZOSBBBERSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](C/C=C/C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841846 345895752 /nfs/dbraw/zinc/89/57/52/345895752.db2.gz AGVMEZNTZTZVAB-ZOSBBBERSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](C/C=C/C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841846 345895753 /nfs/dbraw/zinc/89/57/53/345895753.db2.gz AGVMEZNTZTZVAB-ZOSBBBERSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863257 345901324 /nfs/dbraw/zinc/90/13/24/345901324.db2.gz MHDFEBRPBRMEEW-KBXCAEBGSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863257 345901327 /nfs/dbraw/zinc/90/13/27/345901327.db2.gz MHDFEBRPBRMEEW-KBXCAEBGSA-N 2 2 299.418 2.150 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596060355 345930252 /nfs/dbraw/zinc/93/02/52/345930252.db2.gz ZZNZPOUZLZQWBA-CYBMUJFWSA-N 2 2 290.436 2.226 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596060355 345930255 /nfs/dbraw/zinc/93/02/55/345930255.db2.gz ZZNZPOUZLZQWBA-CYBMUJFWSA-N 2 2 290.436 2.226 20 30 CEEDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598588430 346378448 /nfs/dbraw/zinc/37/84/48/346378448.db2.gz LQGWNTPUQBXIRL-LSDHHAIUSA-N 2 2 290.411 2.129 20 30 CEEDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598588430 346378451 /nfs/dbraw/zinc/37/84/51/346378451.db2.gz LQGWNTPUQBXIRL-LSDHHAIUSA-N 2 2 290.411 2.129 20 30 CEEDLP C[C@H](CC[NH2+]Cc1cccc(C#N)n1)[NH+]1CCCCC1 ZINC000602607723 347099520 /nfs/dbraw/zinc/09/95/20/347099520.db2.gz JPSDQUVJLZXNCN-CQSZACIVSA-N 2 2 272.396 2.307 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C#N ZINC000600710960 346675653 /nfs/dbraw/zinc/67/56/53/346675653.db2.gz QZVUNZHCIAJMEQ-HOCLYGCPSA-N 2 2 255.365 2.051 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C#N ZINC000600710960 346675655 /nfs/dbraw/zinc/67/56/55/346675655.db2.gz QZVUNZHCIAJMEQ-HOCLYGCPSA-N 2 2 255.365 2.051 20 30 CEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713700 347166756 /nfs/dbraw/zinc/16/67/56/347166756.db2.gz QCLQGGAQPBKUJJ-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713700 347166760 /nfs/dbraw/zinc/16/67/60/347166760.db2.gz QCLQGGAQPBKUJJ-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000610992301 347729191 /nfs/dbraw/zinc/72/91/91/347729191.db2.gz SXGLXNNFWFWBOZ-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000610992301 347729195 /nfs/dbraw/zinc/72/91/95/347729195.db2.gz SXGLXNNFWFWBOZ-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)(C#N)CCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336845299 365919969 /nfs/dbraw/zinc/91/99/69/365919969.db2.gz HRAIRWFHMYCDTI-UHFFFAOYSA-N 2 2 289.427 2.247 20 30 CEEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000130775184 365990404 /nfs/dbraw/zinc/99/04/04/365990404.db2.gz MXRVAXYGGAHEHF-UHFFFAOYSA-N 2 2 286.335 2.480 20 30 CEEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000130775184 365990408 /nfs/dbraw/zinc/99/04/08/365990408.db2.gz MXRVAXYGGAHEHF-UHFFFAOYSA-N 2 2 286.335 2.480 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629396673 351349377 /nfs/dbraw/zinc/34/93/77/351349377.db2.gz SRXKBXUCFLXXRU-HIFRSBDPSA-N 2 2 260.381 2.482 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292162770 198187122 /nfs/dbraw/zinc/18/71/22/198187122.db2.gz ORTNKSLGAFNNLP-MRXNPFEDSA-N 2 2 255.365 2.086 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292162770 198187124 /nfs/dbraw/zinc/18/71/24/198187124.db2.gz ORTNKSLGAFNNLP-MRXNPFEDSA-N 2 2 255.365 2.086 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000292162770 198187125 /nfs/dbraw/zinc/18/71/25/198187125.db2.gz ORTNKSLGAFNNLP-MRXNPFEDSA-N 2 2 255.365 2.086 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000292162770 198187127 /nfs/dbraw/zinc/18/71/27/198187127.db2.gz ORTNKSLGAFNNLP-MRXNPFEDSA-N 2 2 255.365 2.086 20 30 CEEDLP CC#CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155965864 188237723 /nfs/dbraw/zinc/23/77/23/188237723.db2.gz ABHNMKYOSIIJSU-UHFFFAOYSA-N 2 2 285.435 2.434 20 30 CEEDLP CC#CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155965864 188237724 /nfs/dbraw/zinc/23/77/24/188237724.db2.gz ABHNMKYOSIIJSU-UHFFFAOYSA-N 2 2 285.435 2.434 20 30 CEEDLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000297938456 200306494 /nfs/dbraw/zinc/30/64/94/200306494.db2.gz UZCVYGLKLGSZKE-UHFFFAOYSA-N 2 2 280.375 2.499 20 30 CEEDLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000297938456 200306495 /nfs/dbraw/zinc/30/64/95/200306495.db2.gz UZCVYGLKLGSZKE-UHFFFAOYSA-N 2 2 280.375 2.499 20 30 CEEDLP N#Cc1cccc(C2([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000341975320 216173686 /nfs/dbraw/zinc/17/36/86/216173686.db2.gz SYWSNYOHSMCBCS-UHFFFAOYSA-N 2 2 252.321 2.034 20 30 CEEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)NC1CCCCC1 ZINC000170912352 367447262 /nfs/dbraw/zinc/44/72/62/367447262.db2.gz BEWFEOGIRVYBRX-UHFFFAOYSA-N 2 2 298.394 2.004 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000172197166 367697272 /nfs/dbraw/zinc/69/72/72/367697272.db2.gz DXQAVDBUDXKLKU-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000172197166 367697277 /nfs/dbraw/zinc/69/72/77/367697277.db2.gz DXQAVDBUDXKLKU-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C1CC1 ZINC000245959674 370893434 /nfs/dbraw/zinc/89/34/34/370893434.db2.gz RVBSHCNQXXIIIE-HZPDHXFCSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C1CC1 ZINC000245959674 370893441 /nfs/dbraw/zinc/89/34/41/370893441.db2.gz RVBSHCNQXXIIIE-HZPDHXFCSA-N 2 2 266.429 2.432 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675255 368481208 /nfs/dbraw/zinc/48/12/08/368481208.db2.gz SUMWKUUDHAWLHN-RHSMWYFYSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675255 368481215 /nfs/dbraw/zinc/48/12/15/368481215.db2.gz SUMWKUUDHAWLHN-RHSMWYFYSA-N 2 2 287.407 2.320 20 30 CEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000352836343 369903638 /nfs/dbraw/zinc/90/36/38/369903638.db2.gz KHVFRJXLIYPVQA-LLVKDONJSA-N 2 2 287.392 2.187 20 30 CEEDLP CCC[N@H+](CC)C[C@@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000353073240 370008595 /nfs/dbraw/zinc/00/85/95/370008595.db2.gz PBEFOSUCYAOJEA-CQSZACIVSA-N 2 2 299.422 2.416 20 30 CEEDLP CCC[N@@H+](CC)C[C@@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000353073240 370008597 /nfs/dbraw/zinc/00/85/97/370008597.db2.gz PBEFOSUCYAOJEA-CQSZACIVSA-N 2 2 299.422 2.416 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000359976075 371495484 /nfs/dbraw/zinc/49/54/84/371495484.db2.gz GDLYSFJUUUVQEE-OAGGEKHMSA-N 2 2 276.424 2.184 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000365633048 372911484 /nfs/dbraw/zinc/91/14/84/372911484.db2.gz UNTJMIXPDSRPAR-CYBMUJFWSA-N 2 2 278.425 2.246 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000365633048 372911497 /nfs/dbraw/zinc/91/14/97/372911497.db2.gz UNTJMIXPDSRPAR-CYBMUJFWSA-N 2 2 278.425 2.246 20 30 CEEDLP C[C@H](C#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371687822 373949619 /nfs/dbraw/zinc/94/96/19/373949619.db2.gz APSDQRXRQSKNTE-CYBMUJFWSA-N 2 2 258.369 2.142 20 30 CEEDLP C[C@H](C#N)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371687822 373949624 /nfs/dbraw/zinc/94/96/24/373949624.db2.gz APSDQRXRQSKNTE-CYBMUJFWSA-N 2 2 258.369 2.142 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371795357 373980912 /nfs/dbraw/zinc/98/09/12/373980912.db2.gz HDUZWNPMGXPKSX-CVEARBPZSA-N 2 2 293.455 2.407 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000282244613 375437616 /nfs/dbraw/zinc/43/76/16/375437616.db2.gz JFWAKWOIOKYULI-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000282244613 375437621 /nfs/dbraw/zinc/43/76/21/375437621.db2.gz JFWAKWOIOKYULI-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000282244613 375437628 /nfs/dbraw/zinc/43/76/28/375437628.db2.gz JFWAKWOIOKYULI-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000282244613 375437630 /nfs/dbraw/zinc/43/76/30/375437630.db2.gz JFWAKWOIOKYULI-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000420321818 376684280 /nfs/dbraw/zinc/68/42/80/376684280.db2.gz RVQKCWBAFOVIOU-SWLSCSKDSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000420321818 376684289 /nfs/dbraw/zinc/68/42/89/376684289.db2.gz RVQKCWBAFOVIOU-SWLSCSKDSA-N 2 2 289.423 2.143 20 30 CEEDLP N#CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420906246 376733509 /nfs/dbraw/zinc/73/35/09/376733509.db2.gz SIFLVGRMEKHRQB-UHFFFAOYSA-N 2 2 299.418 2.254 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000562535112 376923305 /nfs/dbraw/zinc/92/33/05/376923305.db2.gz TXXORTVCWBYZPM-HNNXBMFYSA-N 2 2 266.348 2.168 20 30 CEEDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCC[NH2+]1 ZINC000423412670 377269665 /nfs/dbraw/zinc/26/96/65/377269665.db2.gz IMLJZSHMWTVBMY-LRDDRELGSA-N 2 2 291.370 2.117 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449117418 378197566 /nfs/dbraw/zinc/19/75/66/378197566.db2.gz ONAAICDHSAUPOA-PCKAHOCUSA-N 2 2 279.428 2.159 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449117418 378197571 /nfs/dbraw/zinc/19/75/71/378197571.db2.gz ONAAICDHSAUPOA-PCKAHOCUSA-N 2 2 279.428 2.159 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000266193801 190239147 /nfs/dbraw/zinc/23/91/47/190239147.db2.gz JHPVAVXJWZVLNX-UHFFFAOYSA-N 2 2 259.353 2.258 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258585 378844524 /nfs/dbraw/zinc/84/45/24/378844524.db2.gz HWJWBKBVPHPVPX-RHSMWYFYSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258585 378844527 /nfs/dbraw/zinc/84/45/27/378844527.db2.gz HWJWBKBVPHPVPX-RHSMWYFYSA-N 2 2 287.407 2.056 20 30 CEEDLP C=CCCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000487856623 380087970 /nfs/dbraw/zinc/08/79/70/380087970.db2.gz HAPAYCUNZWSOFZ-UHFFFAOYSA-N 2 2 262.401 2.274 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530219458 380197344 /nfs/dbraw/zinc/19/73/44/380197344.db2.gz LTUYKCOFRHYOGH-WFASDCNBSA-N 2 2 255.365 2.493 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000532231691 380213036 /nfs/dbraw/zinc/21/30/36/380213036.db2.gz WOKBEXOAGLRYMN-MRXNPFEDSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328989254 394559890 /nfs/dbraw/zinc/55/98/90/394559890.db2.gz RVDOIPJODKLYGT-CYBMUJFWSA-N 2 2 288.395 2.052 20 30 CEEDLP C=C(Cl)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015876 394612941 /nfs/dbraw/zinc/61/29/41/394612941.db2.gz XTTAFCIMTWVCNI-WCQYABFASA-N 2 2 295.818 2.094 20 30 CEEDLP N#CCSCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422328 394678443 /nfs/dbraw/zinc/67/84/43/394678443.db2.gz KWDCEJJTDJFVRC-GFCCVEGCSA-N 2 2 264.398 2.236 20 30 CEEDLP N#CCSCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422328 394678447 /nfs/dbraw/zinc/67/84/47/394678447.db2.gz KWDCEJJTDJFVRC-GFCCVEGCSA-N 2 2 264.398 2.236 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000358512395 394723615 /nfs/dbraw/zinc/72/36/15/394723615.db2.gz SEXBUFALUDZPEY-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000358512395 394723620 /nfs/dbraw/zinc/72/36/20/394723620.db2.gz SEXBUFALUDZPEY-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CC[NH+](CC1(C[N@@H+](CC=C)C2CC2)COC1)C1CC1 ZINC000360213051 394793127 /nfs/dbraw/zinc/79/31/27/394793127.db2.gz MSAYQCGSAVNIFX-UHFFFAOYSA-N 2 2 276.424 2.304 20 30 CEEDLP C=CC[NH+](CC1(C[N@H+](CC=C)C2CC2)COC1)C1CC1 ZINC000360213051 394793131 /nfs/dbraw/zinc/79/31/31/394793131.db2.gz MSAYQCGSAVNIFX-UHFFFAOYSA-N 2 2 276.424 2.304 20 30 CEEDLP C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152278695 394991596 /nfs/dbraw/zinc/99/15/96/394991596.db2.gz FZYGDCNIIOIRGK-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152278695 394991599 /nfs/dbraw/zinc/99/15/99/394991599.db2.gz FZYGDCNIIOIRGK-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152278695 394991602 /nfs/dbraw/zinc/99/16/02/394991602.db2.gz FZYGDCNIIOIRGK-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152278695 394991605 /nfs/dbraw/zinc/99/16/05/394991605.db2.gz FZYGDCNIIOIRGK-INIZCTEOSA-N 2 2 274.383 2.451 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352467 394994438 /nfs/dbraw/zinc/99/44/38/394994438.db2.gz JMVDRLXKXZQQIC-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352467 394994439 /nfs/dbraw/zinc/99/44/39/394994439.db2.gz JMVDRLXKXZQQIC-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152352467 394994441 /nfs/dbraw/zinc/99/44/41/394994441.db2.gz JMVDRLXKXZQQIC-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152352467 394994442 /nfs/dbraw/zinc/99/44/42/394994442.db2.gz JMVDRLXKXZQQIC-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CC=C)CC2)cc1 ZINC000289158607 395071588 /nfs/dbraw/zinc/07/15/88/395071588.db2.gz DKJYPACHPQVRAZ-UHFFFAOYSA-N 2 2 254.377 2.408 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289710659 395084557 /nfs/dbraw/zinc/08/45/57/395084557.db2.gz GIHMEZKGLVBZIO-KRWDZBQOSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289710659 395084561 /nfs/dbraw/zinc/08/45/61/395084561.db2.gz GIHMEZKGLVBZIO-KRWDZBQOSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289710659 395084566 /nfs/dbraw/zinc/08/45/66/395084566.db2.gz GIHMEZKGLVBZIO-KRWDZBQOSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289710659 395084570 /nfs/dbraw/zinc/08/45/70/395084570.db2.gz GIHMEZKGLVBZIO-KRWDZBQOSA-N 2 2 274.408 2.130 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192057815 395371920 /nfs/dbraw/zinc/37/19/20/395371920.db2.gz KUVQQECACGQNHA-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192057815 395371925 /nfs/dbraw/zinc/37/19/25/395371925.db2.gz KUVQQECACGQNHA-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192057815 395371933 /nfs/dbraw/zinc/37/19/33/395371933.db2.gz KUVQQECACGQNHA-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192057815 395371938 /nfs/dbraw/zinc/37/19/38/395371938.db2.gz KUVQQECACGQNHA-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC000192056050 395372083 /nfs/dbraw/zinc/37/20/83/395372083.db2.gz VXUXVENYBWKQRD-RDJZCZTQSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC000192056050 395372087 /nfs/dbraw/zinc/37/20/87/395372087.db2.gz VXUXVENYBWKQRD-RDJZCZTQSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056050 395372091 /nfs/dbraw/zinc/37/20/91/395372091.db2.gz VXUXVENYBWKQRD-RDJZCZTQSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056050 395372096 /nfs/dbraw/zinc/37/20/96/395372096.db2.gz VXUXVENYBWKQRD-RDJZCZTQSA-N 2 2 256.393 2.453 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000572270594 395585984 /nfs/dbraw/zinc/58/59/84/395585984.db2.gz GMBSYRFKLCEFKB-INIZCTEOSA-N 2 2 296.418 2.468 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000572270594 395585986 /nfs/dbraw/zinc/58/59/86/395585986.db2.gz GMBSYRFKLCEFKB-INIZCTEOSA-N 2 2 296.418 2.468 20 30 CEEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000647849533 395763553 /nfs/dbraw/zinc/76/35/53/395763553.db2.gz XGWNDSYZQIZOBY-UHFFFAOYSA-N 2 2 293.436 2.184 20 30 CEEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647849533 395763556 /nfs/dbraw/zinc/76/35/56/395763556.db2.gz XGWNDSYZQIZOBY-UHFFFAOYSA-N 2 2 293.436 2.184 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C1 ZINC000651720222 401377761 /nfs/dbraw/zinc/37/77/61/401377761.db2.gz UBXGMYQIYNZRPM-ARFHVFGLSA-N 2 2 266.429 2.289 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(OC)CC2)C1 ZINC000651753118 401383484 /nfs/dbraw/zinc/38/34/84/401383484.db2.gz DSQUTHNTFZUEAA-HUUCEWRRSA-N 2 2 266.429 2.432 20 30 CEEDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000375934370 157164024 /nfs/dbraw/zinc/16/40/24/157164024.db2.gz VMUKJQVMLFDJEO-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000375934370 157164028 /nfs/dbraw/zinc/16/40/28/157164028.db2.gz VMUKJQVMLFDJEO-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477104 414841250 /nfs/dbraw/zinc/84/12/50/414841250.db2.gz FTUYUVRRRHAHQZ-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(C)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477104 414841254 /nfs/dbraw/zinc/84/12/54/414841254.db2.gz FTUYUVRRRHAHQZ-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762645 415445670 /nfs/dbraw/zinc/44/56/70/415445670.db2.gz GZGDEMZKPYXFBA-ZFWWWQNUSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@]1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCC[NH2+]1 ZINC000662709733 415937670 /nfs/dbraw/zinc/93/76/70/415937670.db2.gz ADZQSUXXIOZJSA-MRXNPFEDSA-N 2 2 284.363 2.280 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666943543 419484646 /nfs/dbraw/zinc/48/46/46/419484646.db2.gz XLRRYGKXOONYBE-KBPBESRZSA-N 2 2 264.344 2.041 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000126180607 260346064 /nfs/dbraw/zinc/34/60/64/260346064.db2.gz JXNJBWBYZRVMRJ-CGZBRXJRSA-N 2 2 269.392 2.294 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000126180607 260346065 /nfs/dbraw/zinc/34/60/65/260346065.db2.gz JXNJBWBYZRVMRJ-CGZBRXJRSA-N 2 2 269.392 2.294 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414942142 263151737 /nfs/dbraw/zinc/15/17/37/263151737.db2.gz ZKXMQWNKZMEXMJ-DZGCQCFKSA-N 2 2 290.407 2.348 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415070540 263259641 /nfs/dbraw/zinc/25/96/41/263259641.db2.gz QVQDLRFFWIIDQN-OAHLLOKOSA-N 2 2 260.381 2.483 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000289105791 264703544 /nfs/dbraw/zinc/70/35/44/264703544.db2.gz CMYTWRFLHFPTJZ-QGZVFWFLSA-N 2 2 271.408 2.293 20 30 CEEDLP CC[NH+](CC)CCCCNc1cc(C)[nH+]cc1C#N ZINC000425215572 267057870 /nfs/dbraw/zinc/05/78/70/267057870.db2.gz NWKWYUVFKHKHIU-UHFFFAOYSA-N 2 2 260.385 2.218 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000368641002 267193743 /nfs/dbraw/zinc/19/37/43/267193743.db2.gz BYKPQEMQVURKRX-ZFWWWQNUSA-N 2 2 281.363 2.439 20 30 CEEDLP Cc1cc(N2CCC(C[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000399668296 267333571 /nfs/dbraw/zinc/33/35/71/267333571.db2.gz RNTCQWNFLLNDTL-UHFFFAOYSA-N 2 2 258.369 2.040 20 30 CEEDLP CC#CC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371206746 267369762 /nfs/dbraw/zinc/36/97/62/267369762.db2.gz GWYJMWNQUJUYKQ-UHFFFAOYSA-N 2 2 257.381 2.001 20 30 CEEDLP CC#CC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371206746 267369763 /nfs/dbraw/zinc/36/97/63/267369763.db2.gz GWYJMWNQUJUYKQ-UHFFFAOYSA-N 2 2 257.381 2.001 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527657175 330273462 /nfs/dbraw/zinc/27/34/62/330273462.db2.gz OEMFIIQFTFQFGD-UHFFFAOYSA-N 2 2 265.788 2.475 20 30 CEEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449700709 330944795 /nfs/dbraw/zinc/94/47/95/330944795.db2.gz URVXJDCMIYSOJT-CYBMUJFWSA-N 2 2 259.353 2.059 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000404696953 533913726 /nfs/dbraw/zinc/91/37/26/533913726.db2.gz WKMNTLWTFSDNNO-XHDPSFHLSA-N 2 2 261.344 2.318 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000093597402 534782087 /nfs/dbraw/zinc/78/20/87/534782087.db2.gz NUFKFNFDQYASJP-ZDUSSCGKSA-N 2 2 259.353 2.069 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000093597402 534782092 /nfs/dbraw/zinc/78/20/92/534782092.db2.gz NUFKFNFDQYASJP-ZDUSSCGKSA-N 2 2 259.353 2.069 20 30 CEEDLP CC[NH+](CC)CCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646996 623944225 /nfs/dbraw/zinc/94/42/25/623944225.db2.gz ULUDCDCMFYUSCU-UHFFFAOYSA-N 2 2 280.412 2.056 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031615 /nfs/dbraw/zinc/03/16/15/624031615.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031619 /nfs/dbraw/zinc/03/16/19/624031619.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031621 /nfs/dbraw/zinc/03/16/21/624031621.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031624 /nfs/dbraw/zinc/03/16/24/624031624.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 2 278.440 2.223 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000327968815 627728448 /nfs/dbraw/zinc/72/84/48/627728448.db2.gz FPLAKKDQUWYLSN-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000327968815 627728450 /nfs/dbraw/zinc/72/84/50/627728450.db2.gz FPLAKKDQUWYLSN-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C=C1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000925834043 628929872 /nfs/dbraw/zinc/92/98/72/628929872.db2.gz FVTSLRFXVYIUAE-HOTGVXAUSA-N 2 2 264.413 2.089 20 30 CEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccc(Cl)cc1 ZINC000261819149 629256271 /nfs/dbraw/zinc/25/62/71/629256271.db2.gz HTNATYVACGOFRB-UHFFFAOYSA-N 2 2 294.830 2.053 20 30 CEEDLP C#CC[N@@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000985545739 631125011 /nfs/dbraw/zinc/12/50/11/631125011.db2.gz XPXZGVHCPVGIDA-UHFFFAOYSA-N 2 2 299.418 2.176 20 30 CEEDLP C#CC[N@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000985545739 631125013 /nfs/dbraw/zinc/12/50/13/631125013.db2.gz XPXZGVHCPVGIDA-UHFFFAOYSA-N 2 2 299.418 2.176 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000902832025 634850545 /nfs/dbraw/zinc/85/05/45/634850545.db2.gz IFYOFLMSOQIPSK-CFVMTHIKSA-N 2 2 272.396 2.477 20 30 CEEDLP C=CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccncc1 ZINC000817893908 633755314 /nfs/dbraw/zinc/75/53/14/633755314.db2.gz HUPDTVYGWQUQQB-BMFZPTHFSA-N 2 2 275.396 2.055 20 30 CEEDLP C=CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccncc1 ZINC000817893910 633755928 /nfs/dbraw/zinc/75/59/28/633755928.db2.gz HUPDTVYGWQUQQB-IMJJTQAJSA-N 2 2 275.396 2.055 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817948730 633795390 /nfs/dbraw/zinc/79/53/90/633795390.db2.gz CZYYNZSAVZGNFJ-HIFRSBDPSA-N 2 2 273.380 2.382 20 30 CEEDLP C[N@H+](CCNC(=[NH2+])N1CCCCCC1)Cc1ccccc1 ZINC000126026512 650327193 /nfs/dbraw/zinc/32/71/93/650327193.db2.gz DPEZQDIXYXOHPD-UHFFFAOYSA-N 2 2 288.439 2.309 20 30 CEEDLP C[N@@H+](CCNC(=[NH2+])N1CCCCCC1)Cc1ccccc1 ZINC000126026512 650327197 /nfs/dbraw/zinc/32/71/97/650327197.db2.gz DPEZQDIXYXOHPD-UHFFFAOYSA-N 2 2 288.439 2.309 20 30 CEEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)n1 ZINC000876957123 650505329 /nfs/dbraw/zinc/50/53/29/650505329.db2.gz UWAOEVSWLKLVLD-OAHLLOKOSA-N 2 2 283.379 2.354 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579721 641571492 /nfs/dbraw/zinc/57/14/92/641571492.db2.gz JCJMSFQGWYRVST-UKRRQHHQSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579721 641571495 /nfs/dbraw/zinc/57/14/95/641571495.db2.gz JCJMSFQGWYRVST-UKRRQHHQSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579691 641572372 /nfs/dbraw/zinc/57/23/72/641572372.db2.gz JCJMSFQGWYRVST-HIFRSBDPSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579691 641572380 /nfs/dbraw/zinc/57/23/80/641572380.db2.gz JCJMSFQGWYRVST-HIFRSBDPSA-N 2 2 273.380 2.334 20 30 CEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC000995959089 642083144 /nfs/dbraw/zinc/08/31/44/642083144.db2.gz GUCWWVQXLZCNJM-HNNXBMFYSA-N 2 2 298.390 2.189 20 30 CEEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921522472 642191234 /nfs/dbraw/zinc/19/12/34/642191234.db2.gz QYJJSBJBRFPXCB-UHFFFAOYSA-N 2 2 251.399 2.440 20 30 CEEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921522472 642191239 /nfs/dbraw/zinc/19/12/39/642191239.db2.gz QYJJSBJBRFPXCB-UHFFFAOYSA-N 2 2 251.399 2.440 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(CC#N)CC2)cc1 ZINC000853673413 643858563 /nfs/dbraw/zinc/85/85/63/643858563.db2.gz DCDOQSYLSFCLDS-UHFFFAOYSA-N 2 2 286.379 2.079 20 30 CEEDLP CCC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000759180012 644993485 /nfs/dbraw/zinc/99/34/85/644993485.db2.gz UKJPKKFKQDYPRL-UHFFFAOYSA-N 2 2 274.412 2.114 20 30 CEEDLP C#C[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000862362715 646413738 /nfs/dbraw/zinc/41/37/38/646413738.db2.gz DJWVLACLRFCGTO-ZDUSSCGKSA-N 2 2 291.826 2.203 20 30 CEEDLP C[C@H]1C[NH+]=C(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)N1 ZINC000779795948 647355272 /nfs/dbraw/zinc/35/52/72/647355272.db2.gz ZKAMBBBXFURMST-WBLWLZJPSA-N 2 2 297.406 2.221 20 30 CEEDLP CC1([NH+]2CCC2)CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000880471115 651446589 /nfs/dbraw/zinc/44/65/89/651446589.db2.gz PYFATLJHTNNOMP-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000883131171 652373063 /nfs/dbraw/zinc/37/30/63/652373063.db2.gz LGQOMWAVBZTNOB-UHFFFAOYSA-N 2 2 295.377 2.076 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000883131171 652373066 /nfs/dbraw/zinc/37/30/66/652373066.db2.gz LGQOMWAVBZTNOB-UHFFFAOYSA-N 2 2 295.377 2.076 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1(C#N)CCOCC1 ZINC000931721524 804380284 /nfs/dbraw/zinc/38/02/84/804380284.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC1(C#N)CCOCC1 ZINC000931721524 804380291 /nfs/dbraw/zinc/38/02/91/804380291.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000931721524 804380299 /nfs/dbraw/zinc/38/02/99/804380299.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC1(C#N)CCOCC1 ZINC000931721524 804380309 /nfs/dbraw/zinc/38/03/09/804380309.db2.gz QKWMBEIPSLSEBD-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268747805 804957953 /nfs/dbraw/zinc/95/79/53/804957953.db2.gz CIMSGMYFPHADOS-LSDHHAIUSA-N 2 2 292.427 2.237 20 30 CEEDLP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268747805 804957958 /nfs/dbraw/zinc/95/79/58/804957958.db2.gz CIMSGMYFPHADOS-LSDHHAIUSA-N 2 2 292.427 2.237 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000701826186 809465466 /nfs/dbraw/zinc/46/54/66/809465466.db2.gz IJVWNJZLOJVWIN-CZUORRHYSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000701826186 809465467 /nfs/dbraw/zinc/46/54/67/809465467.db2.gz IJVWNJZLOJVWIN-CZUORRHYSA-N 2 2 257.381 2.439 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086146868 811044617 /nfs/dbraw/zinc/04/46/17/811044617.db2.gz DNLWIILGKRALBB-OKILXGFUSA-N 2 2 298.390 2.008 20 30 CEEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741757 813319104 /nfs/dbraw/zinc/31/91/04/813319104.db2.gz ZKXOILDPYSGDJJ-OLZOCXBDSA-N 2 2 298.390 2.073 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136131 813373296 /nfs/dbraw/zinc/37/32/96/813373296.db2.gz GDLJFQRNFWUCFT-HUUCEWRRSA-N 2 2 292.427 2.112 20 30 CEEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712519 814312864 /nfs/dbraw/zinc/31/28/64/814312864.db2.gz CPEPQBPKZWSUKP-GJZGRUSLSA-N 2 2 292.427 2.112 20 30 CEEDLP CC(C)[N@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C)CC1 ZINC001140547587 816284410 /nfs/dbraw/zinc/28/44/10/816284410.db2.gz VEUUGAKBOXGUMJ-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[N@@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C)CC1 ZINC001140547587 816284415 /nfs/dbraw/zinc/28/44/15/816284415.db2.gz VEUUGAKBOXGUMJ-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881369 816294778 /nfs/dbraw/zinc/29/47/78/816294778.db2.gz ONZVICFJONETQE-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP O=C1C=C2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]2S1 ZINC001140801734 816360584 /nfs/dbraw/zinc/36/05/84/816360584.db2.gz YMYAIYSTLFMOTJ-CQSZACIVSA-N 2 2 285.372 2.337 20 30 CEEDLP O=C1C=C2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]2S1 ZINC001140801734 816360588 /nfs/dbraw/zinc/36/05/88/816360588.db2.gz YMYAIYSTLFMOTJ-CQSZACIVSA-N 2 2 285.372 2.337 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC001177683546 816601946 /nfs/dbraw/zinc/60/19/46/816601946.db2.gz JMQUESANNGCWDT-UHFFFAOYSA-N 2 2 270.380 2.074 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000091511030 344166242 /nfs/dbraw/zinc/16/62/42/344166242.db2.gz IYDUEAMOPDTUQM-OAHLLOKOSA-N 2 2 276.428 2.283 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000091632023 344169548 /nfs/dbraw/zinc/16/95/48/344169548.db2.gz KNLJNUBOOKBPMJ-AWEZNQCLSA-N 2 2 262.401 2.287 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000602473555 347048029 /nfs/dbraw/zinc/04/80/29/347048029.db2.gz AZJUZMTVAMKTFL-HNNXBMFYSA-N 2 2 284.407 2.261 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000602473555 347048032 /nfs/dbraw/zinc/04/80/32/347048032.db2.gz AZJUZMTVAMKTFL-HNNXBMFYSA-N 2 2 284.407 2.261 20 30 CEEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479242 347051866 /nfs/dbraw/zinc/05/18/66/347051866.db2.gz GUIPTWPAWTZESB-HNNXBMFYSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479242 347051869 /nfs/dbraw/zinc/05/18/69/347051869.db2.gz GUIPTWPAWTZESB-HNNXBMFYSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479242 347051874 /nfs/dbraw/zinc/05/18/74/347051874.db2.gz GUIPTWPAWTZESB-HNNXBMFYSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479242 347051875 /nfs/dbraw/zinc/05/18/75/347051875.db2.gz GUIPTWPAWTZESB-HNNXBMFYSA-N 2 2 284.407 2.117 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484158 347055167 /nfs/dbraw/zinc/05/51/67/347055167.db2.gz HWZMIWWYXXABMM-KDOFPFPSSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484158 347055168 /nfs/dbraw/zinc/05/51/68/347055168.db2.gz HWZMIWWYXXABMM-KDOFPFPSSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000602484158 347055172 /nfs/dbraw/zinc/05/51/72/347055172.db2.gz HWZMIWWYXXABMM-KDOFPFPSSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000602484158 347055175 /nfs/dbraw/zinc/05/51/75/347055175.db2.gz HWZMIWWYXXABMM-KDOFPFPSSA-N 2 2 296.418 2.402 20 30 CEEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602514622 347063393 /nfs/dbraw/zinc/06/33/93/347063393.db2.gz OQPWKOMSHRVSRE-GASCZTMLSA-N 2 2 286.423 2.411 20 30 CEEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602514622 347063396 /nfs/dbraw/zinc/06/33/96/347063396.db2.gz OQPWKOMSHRVSRE-GASCZTMLSA-N 2 2 286.423 2.411 20 30 CEEDLP CC[N@H+](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CC1 ZINC000602525009 347065987 /nfs/dbraw/zinc/06/59/87/347065987.db2.gz CQXAYBWTQQPLJG-AWEZNQCLSA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CC1 ZINC000602525009 347065989 /nfs/dbraw/zinc/06/59/89/347065989.db2.gz CQXAYBWTQQPLJG-AWEZNQCLSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602529420 347067853 /nfs/dbraw/zinc/06/78/53/347067853.db2.gz UUJGVGYMCZRAQE-CQSZACIVSA-N 2 2 267.417 2.015 20 30 CEEDLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602529420 347067858 /nfs/dbraw/zinc/06/78/58/347067858.db2.gz UUJGVGYMCZRAQE-CQSZACIVSA-N 2 2 267.417 2.015 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000531382347 344931182 /nfs/dbraw/zinc/93/11/82/344931182.db2.gz XGDBZVZNQIWYIF-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000531382347 344931185 /nfs/dbraw/zinc/93/11/85/344931185.db2.gz XGDBZVZNQIWYIF-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000531382347 344931188 /nfs/dbraw/zinc/93/11/88/344931188.db2.gz XGDBZVZNQIWYIF-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000531382347 344931190 /nfs/dbraw/zinc/93/11/90/344931190.db2.gz XGDBZVZNQIWYIF-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573255 345265119 /nfs/dbraw/zinc/26/51/19/345265119.db2.gz BQTPWFVGJBPOIH-HZMBPMFUSA-N 2 2 263.772 2.299 20 30 CEEDLP CC(C)(C#N)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000594493450 345637630 /nfs/dbraw/zinc/63/76/30/345637630.db2.gz PDPHNWNPJVHYEX-UHFFFAOYSA-N 2 2 268.364 2.474 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000595892980 345908472 /nfs/dbraw/zinc/90/84/72/345908472.db2.gz OWOYRWIPAXEGSX-NSHDSACASA-N 2 2 283.297 2.358 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000595892980 345908475 /nfs/dbraw/zinc/90/84/75/345908475.db2.gz OWOYRWIPAXEGSX-NSHDSACASA-N 2 2 283.297 2.358 20 30 CEEDLP CC[C@H](CC#N)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086094 346126756 /nfs/dbraw/zinc/12/67/56/346126756.db2.gz IIXCPNIHCPKTSK-GFCCVEGCSA-N 2 2 255.325 2.049 20 30 CEEDLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000599014849 346446417 /nfs/dbraw/zinc/44/64/17/346446417.db2.gz HWBZBVAIQCODEE-IYARVYRRSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[NH2+]1 ZINC000600712153 346675644 /nfs/dbraw/zinc/67/56/44/346675644.db2.gz XBUCHCPFZYNKCU-DJSGYFEHSA-N 2 2 255.365 2.276 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600751392 346684252 /nfs/dbraw/zinc/68/42/52/346684252.db2.gz QZSNDTWIUFJIPT-JKSUJKDBSA-N 2 2 293.455 2.284 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600751392 346684257 /nfs/dbraw/zinc/68/42/57/346684257.db2.gz QZSNDTWIUFJIPT-JKSUJKDBSA-N 2 2 293.455 2.284 20 30 CEEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157422 347629270 /nfs/dbraw/zinc/62/92/70/347629270.db2.gz MKVUOMOPMQLCON-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157422 347629271 /nfs/dbraw/zinc/62/92/71/347629271.db2.gz MKVUOMOPMQLCON-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000611243824 347757984 /nfs/dbraw/zinc/75/79/84/347757984.db2.gz ZXAUIENWLQOCNB-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000611243824 347757987 /nfs/dbraw/zinc/75/79/87/347757987.db2.gz ZXAUIENWLQOCNB-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C=C(C)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087340 350650466 /nfs/dbraw/zinc/65/04/66/350650466.db2.gz KQRUHPJRTCKOGS-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)Nc1ccccn1 ZINC000170914549 367446337 /nfs/dbraw/zinc/44/63/37/367446337.db2.gz KMEJCXVAXIQIGD-UHFFFAOYSA-N 2 2 284.367 2.096 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675236 368481169 /nfs/dbraw/zinc/48/11/69/368481169.db2.gz SUMWKUUDHAWLHN-WMLDXEAASA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675236 368481173 /nfs/dbraw/zinc/48/11/73/368481173.db2.gz SUMWKUUDHAWLHN-WMLDXEAASA-N 2 2 287.407 2.320 20 30 CEEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000183830510 368653125 /nfs/dbraw/zinc/65/31/25/368653125.db2.gz AFQYXTZONHCHIA-SNVBAGLBSA-N 2 2 263.307 2.152 20 30 CEEDLP C[NH+](C)CC1(C[NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000185293068 368781414 /nfs/dbraw/zinc/78/14/14/368781414.db2.gz IVLXGGFZOXZBHK-UHFFFAOYSA-N 2 2 261.369 2.363 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000348050224 368875018 /nfs/dbraw/zinc/87/50/18/368875018.db2.gz LSNBDEYXTLUQGA-HNNXBMFYSA-N 2 2 275.396 2.408 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000348050224 368875022 /nfs/dbraw/zinc/87/50/22/368875022.db2.gz LSNBDEYXTLUQGA-HNNXBMFYSA-N 2 2 275.396 2.408 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186691166 369021099 /nfs/dbraw/zinc/02/10/99/369021099.db2.gz NOTORWOLNVQAAS-SJORKVTESA-N 2 2 274.408 2.178 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186691166 369021103 /nfs/dbraw/zinc/02/11/03/369021103.db2.gz NOTORWOLNVQAAS-SJORKVTESA-N 2 2 274.408 2.178 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192839446 369860292 /nfs/dbraw/zinc/86/02/92/369860292.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 3 2 277.456 2.242 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985018 373247814 /nfs/dbraw/zinc/24/78/14/373247814.db2.gz XUHIUYBMOPNFTI-SMDDNHRTSA-N 2 2 261.344 2.442 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985018 373247820 /nfs/dbraw/zinc/24/78/20/373247820.db2.gz XUHIUYBMOPNFTI-SMDDNHRTSA-N 2 2 261.344 2.442 20 30 CEEDLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399732449 375366092 /nfs/dbraw/zinc/36/60/92/375366092.db2.gz MKLKJXDVTOGQQV-QGZVFWFLSA-N 2 2 292.386 2.370 20 30 CEEDLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399732449 375366096 /nfs/dbraw/zinc/36/60/96/375366096.db2.gz MKLKJXDVTOGQQV-QGZVFWFLSA-N 2 2 292.386 2.370 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414114989 375795914 /nfs/dbraw/zinc/79/59/14/375795914.db2.gz MIXONOQIRIVERO-CQSZACIVSA-N 2 2 289.423 2.261 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000428223132 377487911 /nfs/dbraw/zinc/48/79/11/377487911.db2.gz OSVCANHPKMZPIX-UKRRQHHQSA-N 2 2 252.402 2.184 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449516413 378215545 /nfs/dbraw/zinc/21/55/45/378215545.db2.gz APDDAOQGYKHOIJ-KGLIPLIRSA-N 2 2 257.337 2.076 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000548307113 380496998 /nfs/dbraw/zinc/49/69/98/380496998.db2.gz YDGDQFSQPOQQNT-WFASDCNBSA-N 2 2 266.348 2.420 20 30 CEEDLP CCNC(NC[C@H](C)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000261931619 394609403 /nfs/dbraw/zinc/60/94/03/394609403.db2.gz BLAZILWTZKYSFX-LBPRGKRZSA-N 2 2 294.468 2.070 20 30 CEEDLP CCNC(NC[C@H](C)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000261931619 394609406 /nfs/dbraw/zinc/60/94/06/394609406.db2.gz BLAZILWTZKYSFX-LBPRGKRZSA-N 2 2 294.468 2.070 20 30 CEEDLP CC[NH+](CC)[C@H](CNC1=[NH+]CCN1C)c1ccsc1 ZINC000262663039 394622608 /nfs/dbraw/zinc/62/26/08/394622608.db2.gz NLXZRCXURQZIGM-CYBMUJFWSA-N 2 2 280.441 2.022 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332439836 394637953 /nfs/dbraw/zinc/63/79/53/394637953.db2.gz ZLIGZZWDXILVOF-UKRRQHHQSA-N 2 2 270.380 2.332 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267487272 394680858 /nfs/dbraw/zinc/68/08/58/394680858.db2.gz MEDLXJDUYVXWNJ-LBPRGKRZSA-N 2 2 257.341 2.033 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)CC1 ZINC000362309029 394852691 /nfs/dbraw/zinc/85/26/91/394852691.db2.gz NTXBOXBOJJFLLF-KFWWJZLASA-N 2 2 284.469 2.135 20 30 CEEDLP C=C(C)CNC(=[NH2+])NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000362363410 394855332 /nfs/dbraw/zinc/85/53/32/394855332.db2.gz YHCJOOXIFFQQFR-UHFFFAOYSA-N 2 2 283.379 2.277 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000286084773 395010406 /nfs/dbraw/zinc/01/04/06/395010406.db2.gz MLNVSIUSNJLBGJ-HUUCEWRRSA-N 2 2 278.396 2.333 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373812841 395066452 /nfs/dbraw/zinc/06/64/52/395066452.db2.gz PIZUELRYTBCXLP-CEXWTWQISA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373812841 395066454 /nfs/dbraw/zinc/06/64/54/395066454.db2.gz PIZUELRYTBCXLP-CEXWTWQISA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373812841 395066461 /nfs/dbraw/zinc/06/64/61/395066461.db2.gz PIZUELRYTBCXLP-CEXWTWQISA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373812841 395066465 /nfs/dbraw/zinc/06/64/65/395066465.db2.gz PIZUELRYTBCXLP-CEXWTWQISA-N 2 2 280.415 2.454 20 30 CEEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000289324151 395074964 /nfs/dbraw/zinc/07/49/64/395074964.db2.gz GALFTGQCYCTPKO-CQSZACIVSA-N 2 2 274.383 2.444 20 30 CEEDLP N#CCSCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209881 395076847 /nfs/dbraw/zinc/07/68/47/395076847.db2.gz DLYNNTSTRXKSPE-UHFFFAOYSA-N 2 2 264.398 2.236 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000376167471 395111139 /nfs/dbraw/zinc/11/11/39/395111139.db2.gz RDPZECAKTDJVHD-HHARLNAUSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000376167471 395111146 /nfs/dbraw/zinc/11/11/46/395111146.db2.gz RDPZECAKTDJVHD-HHARLNAUSA-N 2 2 291.439 2.300 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000351842914 395237958 /nfs/dbraw/zinc/23/79/58/395237958.db2.gz BBDKEJXXYZHVCH-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000351842914 395237964 /nfs/dbraw/zinc/23/79/64/395237964.db2.gz BBDKEJXXYZHVCH-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP N#Cc1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCOCC2)cc1 ZINC000528778659 395295076 /nfs/dbraw/zinc/29/50/76/395295076.db2.gz LCMHUPYLQIBGND-UHFFFAOYSA-N 2 2 282.347 2.077 20 30 CEEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)Cc2ccccc2C1 ZINC000442790855 395395049 /nfs/dbraw/zinc/39/50/49/395395049.db2.gz MJFDOAKWEILUEO-WMLDXEAASA-N 2 2 283.419 2.367 20 30 CEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](C)CCCOC)C1 ZINC000651726306 401378922 /nfs/dbraw/zinc/37/89/22/401378922.db2.gz HYOANXVNKXQVAN-LSDHHAIUSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](C)CCCOC)C1 ZINC000651726306 401378925 /nfs/dbraw/zinc/37/89/25/401378925.db2.gz HYOANXVNKXQVAN-LSDHHAIUSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672446 174370140 /nfs/dbraw/zinc/37/01/40/174370140.db2.gz UNCWRERBFJZDGZ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672446 174370142 /nfs/dbraw/zinc/37/01/42/174370142.db2.gz UNCWRERBFJZDGZ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](C#N)C3)c[nH+]c12 ZINC000335284393 226227074 /nfs/dbraw/zinc/22/70/74/226227074.db2.gz AIYGRCLKWKGVLO-QWHCGFSZSA-N 2 2 254.337 2.425 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](CCCCC#N)CC1 ZINC000340105886 263071300 /nfs/dbraw/zinc/07/13/00/263071300.db2.gz MWUVCHABVIJJLE-UHFFFAOYSA-N 2 2 258.369 2.206 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000341279876 263329842 /nfs/dbraw/zinc/32/98/42/263329842.db2.gz SXSBBZRHWBIMBI-NJAFHUGGSA-N 2 2 288.435 2.281 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000341279876 263329843 /nfs/dbraw/zinc/32/98/43/263329843.db2.gz SXSBBZRHWBIMBI-NJAFHUGGSA-N 2 2 288.435 2.281 20 30 CEEDLP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C#N)c[nH+]1 ZINC000425242791 271145617 /nfs/dbraw/zinc/14/56/17/271145617.db2.gz DBNICYHOQCJYJA-HNNXBMFYSA-N 2 2 284.407 2.430 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246607622 278306131 /nfs/dbraw/zinc/30/61/31/278306131.db2.gz GNXPJYLBNIYRPQ-WBVHZDCISA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246607622 278306133 /nfs/dbraw/zinc/30/61/33/278306133.db2.gz GNXPJYLBNIYRPQ-WBVHZDCISA-N 2 2 299.418 2.273 20 30 CEEDLP Cc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333586870 278709863 /nfs/dbraw/zinc/70/98/63/278709863.db2.gz ONNZRVOCDBECRI-UONOGXRCSA-N 2 2 270.380 2.088 20 30 CEEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000377700294 329025522 /nfs/dbraw/zinc/02/55/22/329025522.db2.gz MOUPAKRQWVYPBW-ZDUSSCGKSA-N 2 2 260.356 2.401 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000518517981 327170440 /nfs/dbraw/zinc/17/04/40/327170440.db2.gz VHZYLUVVKYKLRS-INIZCTEOSA-N 2 2 257.381 2.054 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000518517981 327170442 /nfs/dbraw/zinc/17/04/42/327170442.db2.gz VHZYLUVVKYKLRS-INIZCTEOSA-N 2 2 257.381 2.054 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000378547067 329054554 /nfs/dbraw/zinc/05/45/54/329054554.db2.gz RPWMHQAHPITRIW-DOTOQJQBSA-N 2 2 289.423 2.084 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000378547067 329054556 /nfs/dbraw/zinc/05/45/56/329054556.db2.gz RPWMHQAHPITRIW-DOTOQJQBSA-N 2 2 289.423 2.084 20 30 CEEDLP C=C(C)COCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090451405 330392695 /nfs/dbraw/zinc/39/26/95/330392695.db2.gz BVUPSLKLNLLBHL-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453261611 331108667 /nfs/dbraw/zinc/10/86/67/331108667.db2.gz KBTREVKINWAQBR-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453261611 331108668 /nfs/dbraw/zinc/10/86/68/331108668.db2.gz KBTREVKINWAQBR-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453345095 331119744 /nfs/dbraw/zinc/11/97/44/331119744.db2.gz HFRRWNRWGHCMHP-KBAYOESNSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453345095 331119745 /nfs/dbraw/zinc/11/97/45/331119745.db2.gz HFRRWNRWGHCMHP-KBAYOESNSA-N 2 2 288.435 2.424 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453362805 331122857 /nfs/dbraw/zinc/12/28/57/331122857.db2.gz PPQQPTQASFAJHJ-HPBDAGMYSA-N 2 2 286.419 2.440 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453362805 331122858 /nfs/dbraw/zinc/12/28/58/331122858.db2.gz PPQQPTQASFAJHJ-HPBDAGMYSA-N 2 2 286.419 2.440 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000157988480 526626062 /nfs/dbraw/zinc/62/60/62/526626062.db2.gz OZJVNOCTAJAZBP-LSDHHAIUSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000157988480 526626063 /nfs/dbraw/zinc/62/60/63/526626063.db2.gz OZJVNOCTAJAZBP-LSDHHAIUSA-N 2 2 273.355 2.414 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000113313660 526742831 /nfs/dbraw/zinc/74/28/31/526742831.db2.gz LVXQWOSNXAWUBG-UHFFFAOYSA-N 2 2 269.348 2.075 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347089992 526759046 /nfs/dbraw/zinc/75/90/46/526759046.db2.gz PDMGPWPZVCSCIN-HNNXBMFYSA-N 2 2 262.353 2.127 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347089992 526759052 /nfs/dbraw/zinc/75/90/52/526759052.db2.gz PDMGPWPZVCSCIN-HNNXBMFYSA-N 2 2 262.353 2.127 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344370819 526951115 /nfs/dbraw/zinc/95/11/15/526951115.db2.gz NONNSPPEDNKIAI-UKRRQHHQSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000344370819 526951117 /nfs/dbraw/zinc/95/11/17/526951117.db2.gz NONNSPPEDNKIAI-UKRRQHHQSA-N 2 2 260.381 2.291 20 30 CEEDLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329212527 528231323 /nfs/dbraw/zinc/23/13/23/528231323.db2.gz HVZWLMYWWUTHRY-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329212527 528231324 /nfs/dbraw/zinc/23/13/24/528231324.db2.gz HVZWLMYWWUTHRY-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OC ZINC000729681652 574490648 /nfs/dbraw/zinc/49/06/48/574490648.db2.gz GZXHAEIVHBJXLG-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729681652 574490649 /nfs/dbraw/zinc/49/06/49/574490649.db2.gz GZXHAEIVHBJXLG-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP Cc1cc(C(N)=[NH+]OCCCc2c[nH+]cn2C)ccc1F ZINC000902222508 634531796 /nfs/dbraw/zinc/53/17/96/634531796.db2.gz MXNNGOJKNZJGGQ-UHFFFAOYSA-N 2 2 290.342 2.137 20 30 CEEDLP C=C1CCC(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000925834045 628929616 /nfs/dbraw/zinc/92/96/16/628929616.db2.gz FVTSLRFXVYIUAE-HZPDHXFCSA-N 2 2 264.413 2.089 20 30 CEEDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000896502791 630583667 /nfs/dbraw/zinc/58/36/67/630583667.db2.gz HKHGVUJNYGLPBH-QGZVFWFLSA-N 2 2 298.434 2.174 20 30 CEEDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000896502790 630583993 /nfs/dbraw/zinc/58/39/93/630583993.db2.gz HKHGVUJNYGLPBH-KRWDZBQOSA-N 2 2 298.434 2.174 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989182409 631744534 /nfs/dbraw/zinc/74/45/34/631744534.db2.gz LQRLTBVOLMNWET-ZIAGYGMSSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902949793 634909929 /nfs/dbraw/zinc/90/99/29/634909929.db2.gz CNNKMKPUYSFWFZ-UKRRQHHQSA-N 2 2 271.364 2.460 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000828259346 636552055 /nfs/dbraw/zinc/55/20/55/636552055.db2.gz NZSOSPIUCVBDPO-UHFFFAOYSA-N 2 2 283.379 2.039 20 30 CEEDLP C#CC[N@H+](C)CCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000828259346 636552059 /nfs/dbraw/zinc/55/20/59/636552059.db2.gz NZSOSPIUCVBDPO-UHFFFAOYSA-N 2 2 283.379 2.039 20 30 CEEDLP C#CC[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000843423595 640423831 /nfs/dbraw/zinc/42/38/31/640423831.db2.gz OXIOTPYLNZJRAP-ZDUSSCGKSA-N 2 2 277.437 2.440 20 30 CEEDLP C#CC[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000843423595 640423835 /nfs/dbraw/zinc/42/38/35/640423835.db2.gz OXIOTPYLNZJRAP-ZDUSSCGKSA-N 2 2 277.437 2.440 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000877154695 650599715 /nfs/dbraw/zinc/59/97/15/650599715.db2.gz XDWAUEKULUVVJR-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000877154695 650599717 /nfs/dbraw/zinc/59/97/17/650599717.db2.gz XDWAUEKULUVVJR-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000921471249 641289058 /nfs/dbraw/zinc/28/90/58/641289058.db2.gz YZKYDEXXXJYHDQ-UHFFFAOYSA-N 2 2 251.399 2.297 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000921593277 642249439 /nfs/dbraw/zinc/24/94/39/642249439.db2.gz PFXVXRCFUWIYBI-OAHLLOKOSA-N 2 2 257.381 2.359 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000921593277 642249453 /nfs/dbraw/zinc/24/94/53/642249453.db2.gz PFXVXRCFUWIYBI-OAHLLOKOSA-N 2 2 257.381 2.359 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999502711 642492213 /nfs/dbraw/zinc/49/22/13/642492213.db2.gz LFVRVBJQOKDUHR-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999678619 642505170 /nfs/dbraw/zinc/50/51/70/642505170.db2.gz AGFKRWDACNKOAG-CQSZACIVSA-N 2 2 298.390 2.105 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000922213733 642961501 /nfs/dbraw/zinc/96/15/01/642961501.db2.gz FMTABKHBKGXUDP-UHFFFAOYSA-N 2 2 257.381 2.357 20 30 CEEDLP N#CCc1cccc2c1CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923412388 643701239 /nfs/dbraw/zinc/70/12/39/643701239.db2.gz YQNVCTSTJPTUQN-UHFFFAOYSA-N 2 2 269.392 2.253 20 30 CEEDLP N#CCc1cccc2c1CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923412388 643701243 /nfs/dbraw/zinc/70/12/43/643701243.db2.gz YQNVCTSTJPTUQN-UHFFFAOYSA-N 2 2 269.392 2.253 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857914364 645008389 /nfs/dbraw/zinc/00/83/89/645008389.db2.gz UGQFFQAJYMZOTN-ZDUSSCGKSA-N 2 2 277.799 2.267 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857914364 645008394 /nfs/dbraw/zinc/00/83/94/645008394.db2.gz UGQFFQAJYMZOTN-ZDUSSCGKSA-N 2 2 277.799 2.267 20 30 CEEDLP FC(F)(F)CC[NH+]1CCC(=[NH+]n2cccn2)CC1 ZINC000863164463 646662439 /nfs/dbraw/zinc/66/24/39/646662439.db2.gz KSZKDJQHZWWCRW-UHFFFAOYSA-N 2 2 260.263 2.135 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187626 647206552 /nfs/dbraw/zinc/20/65/52/647206552.db2.gz AZTBPIWVMWLWDU-UKRRQHHQSA-N 2 2 296.374 2.279 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189034 647207515 /nfs/dbraw/zinc/20/75/15/647207515.db2.gz MELAJUQUTBUGMU-INIZCTEOSA-N 2 2 295.386 2.390 20 30 CEEDLP CCNc1ccccc1C=[NH+]NCCCn1cc[nH+]c1 ZINC000872387202 649376997 /nfs/dbraw/zinc/37/69/97/649376997.db2.gz HHRJAVRXUSYUAM-UHFFFAOYSA-N 2 2 271.368 2.329 20 30 CEEDLP C[C@@H](C#N)OCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951711 651364491 /nfs/dbraw/zinc/36/44/91/651364491.db2.gz NPOOSGVJCGSDIN-HNNXBMFYSA-N 2 2 279.428 2.255 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cscc1Cl ZINC000883131290 652372745 /nfs/dbraw/zinc/37/27/45/652372745.db2.gz UXKJABGTLVPOAJ-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cscc1Cl ZINC000883131290 652372746 /nfs/dbraw/zinc/37/27/46/652372746.db2.gz UXKJABGTLVPOAJ-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429321 802802525 /nfs/dbraw/zinc/80/25/25/802802525.db2.gz RPGPLVJUOZTXOR-LSDHHAIUSA-N 2 2 292.427 2.285 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000385640739 804340045 /nfs/dbraw/zinc/34/00/45/804340045.db2.gz UXMOXKMETBSUKZ-LLVKDONJSA-N 2 2 265.426 2.366 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000385640739 804340053 /nfs/dbraw/zinc/34/00/53/804340053.db2.gz UXMOXKMETBSUKZ-LLVKDONJSA-N 2 2 265.426 2.366 20 30 CEEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272082 809569500 /nfs/dbraw/zinc/56/95/00/809569500.db2.gz RCDNLDFYUHDPLN-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272082 809569503 /nfs/dbraw/zinc/56/95/03/809569503.db2.gz RCDNLDFYUHDPLN-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001018849503 810659853 /nfs/dbraw/zinc/65/98/53/810659853.db2.gz XUKCLRJJXMKOJZ-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673088 810873852 /nfs/dbraw/zinc/87/38/52/810873852.db2.gz PSIMPJBMWVXETQ-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673088 810873860 /nfs/dbraw/zinc/87/38/60/810873860.db2.gz PSIMPJBMWVXETQ-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471797 812526000 /nfs/dbraw/zinc/52/60/00/812526000.db2.gz GCPCTXZSTFRGDK-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231048 813234630 /nfs/dbraw/zinc/23/46/30/813234630.db2.gz ZCYBAKHVHTXXHX-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135914 813373922 /nfs/dbraw/zinc/37/39/22/813373922.db2.gz DBNCEERCJWAKTC-GJZGRUSLSA-N 2 2 292.427 2.112 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C)c[nH+]1 ZINC001171067737 813797673 /nfs/dbraw/zinc/79/76/73/813797673.db2.gz BDVSDOFJAOLEMU-ZDUSSCGKSA-N 2 2 277.368 2.029 20 30 CEEDLP C#Cc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001144573927 814120064 /nfs/dbraw/zinc/12/00/64/814120064.db2.gz UGJOAPJSDJCHEA-UHFFFAOYSA-N 2 2 286.419 2.211 20 30 CEEDLP C#Cc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001144573927 814120069 /nfs/dbraw/zinc/12/00/69/814120069.db2.gz UGJOAPJSDJCHEA-UHFFFAOYSA-N 2 2 286.419 2.211 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206277336 816439370 /nfs/dbraw/zinc/43/93/70/816439370.db2.gz RTJMDYYTGULFPB-CQSZACIVSA-N 2 2 260.381 2.293 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC001206277336 816439373 /nfs/dbraw/zinc/43/93/73/816439373.db2.gz RTJMDYYTGULFPB-CQSZACIVSA-N 2 2 260.381 2.293 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144417 365527633 /nfs/dbraw/zinc/52/76/33/365527633.db2.gz YVOCDWUTBWUYLX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144417 365527639 /nfs/dbraw/zinc/52/76/39/365527639.db2.gz YVOCDWUTBWUYLX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144417 365527646 /nfs/dbraw/zinc/52/76/46/365527646.db2.gz YVOCDWUTBWUYLX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144417 365527654 /nfs/dbraw/zinc/52/76/54/365527654.db2.gz YVOCDWUTBWUYLX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860612 343869774 /nfs/dbraw/zinc/86/97/74/343869774.db2.gz GRCRCSCYAXJGEM-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860612 343869777 /nfs/dbraw/zinc/86/97/77/343869777.db2.gz GRCRCSCYAXJGEM-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860612 343869779 /nfs/dbraw/zinc/86/97/79/343869779.db2.gz GRCRCSCYAXJGEM-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860612 343869780 /nfs/dbraw/zinc/86/97/80/343869780.db2.gz GRCRCSCYAXJGEM-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004422 344133459 /nfs/dbraw/zinc/13/34/59/344133459.db2.gz PKGVBQPVQHHCBU-HUUCEWRRSA-N 2 2 277.412 2.002 20 30 CEEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004422 344133461 /nfs/dbraw/zinc/13/34/61/344133461.db2.gz PKGVBQPVQHHCBU-HUUCEWRRSA-N 2 2 277.412 2.002 20 30 CEEDLP C=CCCOCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090883560 344145553 /nfs/dbraw/zinc/14/55/53/344145553.db2.gz TUPBMLUULYDMMN-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093865899 344231626 /nfs/dbraw/zinc/23/16/26/344231626.db2.gz DFHSEOTZCAHRAK-OAHLLOKOSA-N 2 2 269.304 2.200 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093865899 344231628 /nfs/dbraw/zinc/23/16/28/344231628.db2.gz DFHSEOTZCAHRAK-OAHLLOKOSA-N 2 2 269.304 2.200 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000602503370 347059334 /nfs/dbraw/zinc/05/93/34/347059334.db2.gz IHJPPPSKVSPSEQ-ZDUSSCGKSA-N 2 2 267.417 2.015 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602506518 347060088 /nfs/dbraw/zinc/06/00/88/347060088.db2.gz CTXVGWQMUWTVEU-GPANFISMSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602506518 347060090 /nfs/dbraw/zinc/06/00/90/347060090.db2.gz CTXVGWQMUWTVEU-GPANFISMSA-N 2 2 279.428 2.015 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000591577309 345266227 /nfs/dbraw/zinc/26/62/27/345266227.db2.gz OJUYSKMTIBTZBT-INIZCTEOSA-N 2 2 255.365 2.277 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462941 /nfs/dbraw/zinc/46/29/41/539462941.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 3 2 277.456 2.243 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462946 /nfs/dbraw/zinc/46/29/46/539462946.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 3 2 277.456 2.243 20 30 CEEDLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1C ZINC000594967890 345719369 /nfs/dbraw/zinc/71/93/69/345719369.db2.gz ISRLMHJFAYPOLF-UHFFFAOYSA-N 2 2 297.406 2.383 20 30 CEEDLP N#CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000597159290 346138377 /nfs/dbraw/zinc/13/83/77/346138377.db2.gz XCRXWXFWNYRKRC-UHFFFAOYSA-N 2 2 281.363 2.441 20 30 CEEDLP C[C@H](O)C1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000597234217 346156716 /nfs/dbraw/zinc/15/67/16/346156716.db2.gz INDHYDUWEBUHTL-AWEZNQCLSA-N 2 2 299.418 2.026 20 30 CEEDLP CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000600705591 346674310 /nfs/dbraw/zinc/67/43/10/346674310.db2.gz SEBAXQUXSMVGSR-INIZCTEOSA-N 2 2 257.381 2.441 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000600705591 346674311 /nfs/dbraw/zinc/67/43/11/346674311.db2.gz SEBAXQUXSMVGSR-INIZCTEOSA-N 2 2 257.381 2.441 20 30 CEEDLP N#Cc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000602639148 347118215 /nfs/dbraw/zinc/11/82/15/347118215.db2.gz UNLNJGRQTGZQCS-UHFFFAOYSA-N 2 2 270.380 2.060 20 30 CEEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccco1 ZINC000629525521 351390418 /nfs/dbraw/zinc/39/04/18/351390418.db2.gz VPBANKSIESPGSN-CYBMUJFWSA-N 2 2 264.369 2.384 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000122319757 187026784 /nfs/dbraw/zinc/02/67/84/187026784.db2.gz PZNPKGJVZMTXNG-IUODEOHRSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000122319757 187026785 /nfs/dbraw/zinc/02/67/85/187026785.db2.gz PZNPKGJVZMTXNG-IUODEOHRSA-N 2 2 255.365 2.273 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214146 198204593 /nfs/dbraw/zinc/20/45/93/198204593.db2.gz UIWLQWVWFJSJKU-GOSISDBHSA-N 2 2 294.402 2.339 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214146 198204595 /nfs/dbraw/zinc/20/45/95/198204595.db2.gz UIWLQWVWFJSJKU-GOSISDBHSA-N 2 2 294.402 2.339 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214146 198204597 /nfs/dbraw/zinc/20/45/97/198204597.db2.gz UIWLQWVWFJSJKU-GOSISDBHSA-N 2 2 294.402 2.339 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214146 198204599 /nfs/dbraw/zinc/20/45/99/198204599.db2.gz UIWLQWVWFJSJKU-GOSISDBHSA-N 2 2 294.402 2.339 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000152990433 188058077 /nfs/dbraw/zinc/05/80/77/188058077.db2.gz JIUMKTPYJQTNRX-CYBMUJFWSA-N 2 2 262.401 2.111 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000151066597 366616496 /nfs/dbraw/zinc/61/64/96/366616496.db2.gz XYWBKCYTJHMNPK-WFASDCNBSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C#N ZINC000151066597 366616502 /nfs/dbraw/zinc/61/65/02/366616502.db2.gz XYWBKCYTJHMNPK-WFASDCNBSA-N 2 2 285.391 2.282 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000093405878 364175056 /nfs/dbraw/zinc/17/50/56/364175056.db2.gz GLOPGEHUISCDCJ-LLVKDONJSA-N 2 2 251.399 2.444 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340887235 367074875 /nfs/dbraw/zinc/07/48/75/367074875.db2.gz ZFSMBTNKLQGLGI-CQSZACIVSA-N 2 2 262.401 2.272 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000172197164 367697293 /nfs/dbraw/zinc/69/72/93/367697293.db2.gz DXQAVDBUDXKLKU-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000172197164 367697300 /nfs/dbraw/zinc/69/73/00/367697300.db2.gz DXQAVDBUDXKLKU-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP CCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000233074648 370516972 /nfs/dbraw/zinc/51/69/72/370516972.db2.gz YGEFMXVBAOPFNF-OAHLLOKOSA-N 2 2 273.380 2.141 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000233074648 370516976 /nfs/dbraw/zinc/51/69/76/370516976.db2.gz YGEFMXVBAOPFNF-OAHLLOKOSA-N 2 2 273.380 2.141 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000331673042 204062571 /nfs/dbraw/zinc/06/25/71/204062571.db2.gz ZBQACESZXOQPNJ-GFCCVEGCSA-N 2 2 272.377 2.483 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248495925 371203150 /nfs/dbraw/zinc/20/31/50/371203150.db2.gz LCCDMUSFPAUUFU-OIISXLGYSA-N 2 2 274.408 2.034 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248495925 371203153 /nfs/dbraw/zinc/20/31/53/371203153.db2.gz LCCDMUSFPAUUFU-OIISXLGYSA-N 2 2 274.408 2.034 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264098898 371969216 /nfs/dbraw/zinc/96/92/16/371969216.db2.gz NKIHQDNIANWUHC-UHFFFAOYSA-N 2 2 287.411 2.446 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264101792 371971229 /nfs/dbraw/zinc/97/12/29/371971229.db2.gz OGZXRSXRKBVRSD-UKRRQHHQSA-N 2 2 276.428 2.301 20 30 CEEDLP C#CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270382719 372764024 /nfs/dbraw/zinc/76/40/24/372764024.db2.gz WGQDQSRGBMQJAY-CQSZACIVSA-N 2 2 253.349 2.442 20 30 CEEDLP C#CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270382719 372764028 /nfs/dbraw/zinc/76/40/28/372764028.db2.gz WGQDQSRGBMQJAY-CQSZACIVSA-N 2 2 253.349 2.442 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000365633049 372910933 /nfs/dbraw/zinc/91/09/33/372910933.db2.gz UNTJMIXPDSRPAR-ZDUSSCGKSA-N 2 2 278.425 2.246 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000365633049 372910941 /nfs/dbraw/zinc/91/09/41/372910941.db2.gz UNTJMIXPDSRPAR-ZDUSSCGKSA-N 2 2 278.425 2.246 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334180978 206154652 /nfs/dbraw/zinc/15/46/52/206154652.db2.gz DSHHAIJGAFQCAD-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000334180978 206154656 /nfs/dbraw/zinc/15/46/56/206154656.db2.gz DSHHAIJGAFQCAD-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278175620 374741094 /nfs/dbraw/zinc/74/10/94/374741094.db2.gz CVFIRHYIQVUPOE-HNNXBMFYSA-N 2 2 254.337 2.496 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1C#N ZINC000282364341 375467647 /nfs/dbraw/zinc/46/76/47/375467647.db2.gz PWBFALVODRXOHB-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1C#N ZINC000282364341 375467654 /nfs/dbraw/zinc/46/76/54/375467654.db2.gz PWBFALVODRXOHB-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289797764 376504316 /nfs/dbraw/zinc/50/43/16/376504316.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 2 259.353 2.208 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289797764 376504324 /nfs/dbraw/zinc/50/43/24/376504324.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 2 259.353 2.208 20 30 CEEDLP C[NH+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289797764 376504331 /nfs/dbraw/zinc/50/43/31/376504331.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 2 259.353 2.208 20 30 CEEDLP C[NH+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289797764 376504339 /nfs/dbraw/zinc/50/43/39/376504339.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 2 259.353 2.208 20 30 CEEDLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000328815000 376903580 /nfs/dbraw/zinc/90/35/80/376903580.db2.gz GFIBELBNXUHGKB-UHFFFAOYSA-N 2 2 292.427 2.431 20 30 CEEDLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000328815000 376903590 /nfs/dbraw/zinc/90/35/90/376903590.db2.gz GFIBELBNXUHGKB-UHFFFAOYSA-N 2 2 292.427 2.431 20 30 CEEDLP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000328910552 376923209 /nfs/dbraw/zinc/92/32/09/376923209.db2.gz FSOJWTBYMLRNBN-ZDUSSCGKSA-N 2 2 290.411 2.276 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328956738 376927418 /nfs/dbraw/zinc/92/74/18/376927418.db2.gz PEGYLPXOBJLUNG-MELADBBJSA-N 2 2 290.411 2.275 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329306309 376942375 /nfs/dbraw/zinc/94/23/75/376942375.db2.gz YQBAYWJJMXSUGK-GFCCVEGCSA-N 2 2 276.384 2.316 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329306309 376942381 /nfs/dbraw/zinc/94/23/81/376942381.db2.gz YQBAYWJJMXSUGK-GFCCVEGCSA-N 2 2 276.384 2.316 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294958879 378031134 /nfs/dbraw/zinc/03/11/34/378031134.db2.gz JCLDHDWZJUXIPS-CYBMUJFWSA-N 2 2 275.352 2.201 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294958879 378031139 /nfs/dbraw/zinc/03/11/39/378031139.db2.gz JCLDHDWZJUXIPS-CYBMUJFWSA-N 2 2 275.352 2.201 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295113460 378041597 /nfs/dbraw/zinc/04/15/97/378041597.db2.gz XQAKKCMZWGDWRZ-CRAIPNDOSA-N 2 2 288.435 2.350 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295113460 378041604 /nfs/dbraw/zinc/04/16/04/378041604.db2.gz XQAKKCMZWGDWRZ-CRAIPNDOSA-N 2 2 288.435 2.350 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449386944 378208970 /nfs/dbraw/zinc/20/89/70/378208970.db2.gz JZQGQTGLRDAJQA-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449386944 378208976 /nfs/dbraw/zinc/20/89/76/378208976.db2.gz JZQGQTGLRDAJQA-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132464 190379142 /nfs/dbraw/zinc/37/91/42/190379142.db2.gz PUYOQLQWOSVDIM-WBMJQRKESA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132464 190379143 /nfs/dbraw/zinc/37/91/43/190379143.db2.gz PUYOQLQWOSVDIM-WBMJQRKESA-N 2 2 255.365 2.131 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000268131171 190379330 /nfs/dbraw/zinc/37/93/30/190379330.db2.gz PTQFSKVTPZBGRR-WBMJQRKESA-N 2 2 285.391 2.139 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000268131171 190379331 /nfs/dbraw/zinc/37/93/31/190379331.db2.gz PTQFSKVTPZBGRR-WBMJQRKESA-N 2 2 285.391 2.139 20 30 CEEDLP C#C[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165370 380285535 /nfs/dbraw/zinc/28/55/35/380285535.db2.gz KOJQYEJFASCGCX-SJLPKXTDSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165370 380285539 /nfs/dbraw/zinc/28/55/39/380285539.db2.gz KOJQYEJFASCGCX-SJLPKXTDSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000491165370 380285546 /nfs/dbraw/zinc/28/55/46/380285546.db2.gz KOJQYEJFASCGCX-SJLPKXTDSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000491165370 380285550 /nfs/dbraw/zinc/28/55/50/380285550.db2.gz KOJQYEJFASCGCX-SJLPKXTDSA-N 2 2 286.419 2.231 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555992 /nfs/dbraw/zinc/55/59/92/394555992.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 2 2 290.411 2.485 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555995 /nfs/dbraw/zinc/55/59/95/394555995.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 2 2 290.411 2.485 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CCC(C)C ZINC000271239966 394752731 /nfs/dbraw/zinc/75/27/31/394752731.db2.gz YCZXSAXMUWTHBJ-UHFFFAOYSA-N 2 2 252.362 2.307 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000336565665 394864701 /nfs/dbraw/zinc/86/47/01/394864701.db2.gz GCOUAGUNMHYZBY-FZMZJTMJSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000336565665 394864703 /nfs/dbraw/zinc/86/47/03/394864703.db2.gz GCOUAGUNMHYZBY-FZMZJTMJSA-N 2 2 266.348 2.489 20 30 CEEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000346344372 395095858 /nfs/dbraw/zinc/09/58/58/395095858.db2.gz YDQQINPZCVLXKK-LSDHHAIUSA-N 2 2 254.418 2.432 20 30 CEEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000346344372 395095861 /nfs/dbraw/zinc/09/58/61/395095861.db2.gz YDQQINPZCVLXKK-LSDHHAIUSA-N 2 2 254.418 2.432 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530244656 395455269 /nfs/dbraw/zinc/45/52/69/395455269.db2.gz PDJWOMZDFGLLRL-QZTJIDSGSA-N 2 2 299.418 2.198 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530244656 395455271 /nfs/dbraw/zinc/45/52/71/395455271.db2.gz PDJWOMZDFGLLRL-QZTJIDSGSA-N 2 2 299.418 2.198 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000491741082 395670634 /nfs/dbraw/zinc/67/06/34/395670634.db2.gz VKKXXNURSRWYFV-ZDUSSCGKSA-N 2 2 273.355 2.303 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000651818906 401398774 /nfs/dbraw/zinc/39/87/74/401398774.db2.gz KCDNSBNFIZGZQK-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000651818906 401398775 /nfs/dbraw/zinc/39/87/75/401398775.db2.gz KCDNSBNFIZGZQK-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2nc[nH+]c(C)c2OC)CC1 ZINC000656121694 415600310 /nfs/dbraw/zinc/60/03/10/415600310.db2.gz SHMOGWCIROLTAH-UHFFFAOYSA-N 2 2 276.384 2.246 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783300 415860330 /nfs/dbraw/zinc/86/03/30/415860330.db2.gz OPYAKTZHSPGQAV-UHFFFAOYSA-N 2 2 278.396 2.429 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783300 415860333 /nfs/dbraw/zinc/86/03/33/415860333.db2.gz OPYAKTZHSPGQAV-UHFFFAOYSA-N 2 2 278.396 2.429 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666943480 419484184 /nfs/dbraw/zinc/48/41/84/419484184.db2.gz LXLMTAPTAHGMAM-KBPBESRZSA-N 2 2 264.344 2.041 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354330766 260241064 /nfs/dbraw/zinc/24/10/64/260241064.db2.gz PINBYIMPFOJWSE-IJEWVQPXSA-N 2 2 294.439 2.204 20 30 CEEDLP [NH2+]=C(NCc1ccnc(-n2cc[nH+]c2)c1)Nc1ccccc1 ZINC000303265578 267633466 /nfs/dbraw/zinc/63/34/66/267633466.db2.gz VAAALQBAXKXUTL-UHFFFAOYSA-N 2 2 292.346 2.194 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147437 288132411 /nfs/dbraw/zinc/13/24/11/288132411.db2.gz VNHMDICLROJURQ-MLGOLLRUSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147437 288132412 /nfs/dbraw/zinc/13/24/12/288132412.db2.gz VNHMDICLROJURQ-MLGOLLRUSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177682768 312723137 /nfs/dbraw/zinc/72/31/37/312723137.db2.gz DTTRVCIZMOLBOI-STQMWFEESA-N 2 2 293.436 2.209 20 30 CEEDLP C[N@H+](CCNC(=[NH2+])NC1CCCC1)Cc1ccc(F)cc1 ZINC000267392534 328177699 /nfs/dbraw/zinc/17/76/99/328177699.db2.gz VZQPSOCQJBJLLC-UHFFFAOYSA-N 2 2 292.402 2.104 20 30 CEEDLP C[N@@H+](CCNC(=[NH2+])NC1CCCC1)Cc1ccc(F)cc1 ZINC000267392534 328177701 /nfs/dbraw/zinc/17/77/01/328177701.db2.gz VZQPSOCQJBJLLC-UHFFFAOYSA-N 2 2 292.402 2.104 20 30 CEEDLP C#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000377672893 329023944 /nfs/dbraw/zinc/02/39/44/329023944.db2.gz BLLCUJCBQJDZIF-UHFFFAOYSA-N 2 2 265.360 2.491 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)O1 ZINC000378453924 329051116 /nfs/dbraw/zinc/05/11/16/329051116.db2.gz OQDKDVFBPJDOQU-FPCVCCKLSA-N 2 2 288.395 2.103 20 30 CEEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000178649892 329201551 /nfs/dbraw/zinc/20/15/51/329201551.db2.gz ZCOUDOATZAUBPL-UHFFFAOYSA-N 2 2 272.396 2.329 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181716055 329236042 /nfs/dbraw/zinc/23/60/42/329236042.db2.gz ZRBIDSCBUPOPJT-OAGGEKHMSA-N 2 2 278.440 2.430 20 30 CEEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449702324 330944915 /nfs/dbraw/zinc/94/49/15/330944915.db2.gz YTBHHXSOMYIAJH-ZDUSSCGKSA-N 2 2 294.361 2.320 20 30 CEEDLP C=C(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615718 336112958 /nfs/dbraw/zinc/11/29/58/336112958.db2.gz QMCZBGHEAXUVEY-CZUORRHYSA-N 2 2 298.377 2.484 20 30 CEEDLP C=C(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615718 336112960 /nfs/dbraw/zinc/11/29/60/336112960.db2.gz QMCZBGHEAXUVEY-CZUORRHYSA-N 2 2 298.377 2.484 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000049235581 524961070 /nfs/dbraw/zinc/96/10/70/524961070.db2.gz DIYFYBGKYKIDQZ-NSHDSACASA-N 2 2 258.300 2.072 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000734850103 574731820 /nfs/dbraw/zinc/73/18/20/574731820.db2.gz GLUFYYXUORQXKK-UHFFFAOYSA-N 2 2 260.381 2.082 20 30 CEEDLP C#CCOc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000734850103 574731822 /nfs/dbraw/zinc/73/18/22/574731822.db2.gz GLUFYYXUORQXKK-UHFFFAOYSA-N 2 2 260.381 2.082 20 30 CEEDLP C=CCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000739915985 574936242 /nfs/dbraw/zinc/93/62/42/574936242.db2.gz VKJUFMREALBEGR-QGZVFWFLSA-N 2 2 274.408 2.179 20 30 CEEDLP C=CCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000739915985 574936243 /nfs/dbraw/zinc/93/62/43/574936243.db2.gz VKJUFMREALBEGR-QGZVFWFLSA-N 2 2 274.408 2.179 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184430 613788867 /nfs/dbraw/zinc/78/88/67/613788867.db2.gz SZBQWCIPQQFYJZ-JSGCOSHPSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184430 613788868 /nfs/dbraw/zinc/78/88/68/613788868.db2.gz SZBQWCIPQQFYJZ-JSGCOSHPSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2NC)CC1 ZINC000902213456 634516772 /nfs/dbraw/zinc/51/67/72/634516772.db2.gz NUXKOLKWIWVMQG-UHFFFAOYSA-N 2 2 259.397 2.468 20 30 CEEDLP C=C(C)COCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925531749 628133128 /nfs/dbraw/zinc/13/31/28/628133128.db2.gz NEUQIPBZCYFNJI-HUUCEWRRSA-N 2 2 252.402 2.186 20 30 CEEDLP C=C(C)COCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925531749 628133131 /nfs/dbraw/zinc/13/31/31/628133131.db2.gz NEUQIPBZCYFNJI-HUUCEWRRSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925664444 628379995 /nfs/dbraw/zinc/37/99/95/628379995.db2.gz FJRVXUNANSTJIH-KVDVXYDOSA-N 2 2 284.403 2.337 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000902445351 634662492 /nfs/dbraw/zinc/66/24/92/634662492.db2.gz LLUUBUHVHIKAQB-JHJVBQTASA-N 2 2 276.409 2.025 20 30 CEEDLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902465628 634684076 /nfs/dbraw/zinc/68/40/76/634684076.db2.gz HMRNBJSRXXEZFI-LVQVYYBASA-N 2 2 255.365 2.492 20 30 CEEDLP C[C@H]([NH3+])[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1 ZINC000925893716 628987440 /nfs/dbraw/zinc/98/74/40/628987440.db2.gz QQAULALQIILRHT-SUMWQHHRSA-N 2 2 295.390 2.043 20 30 CEEDLP C#CC[N@H+](Cc1cc2c(cc1O)CCC2)C1CC[NH+](C)CC1 ZINC000902538710 634706883 /nfs/dbraw/zinc/70/68/83/634706883.db2.gz VEBXAWQSJRMMBE-UHFFFAOYSA-N 2 2 298.430 2.410 20 30 CEEDLP C#CC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC[NH+](C)CC1 ZINC000902538710 634706885 /nfs/dbraw/zinc/70/68/85/634706885.db2.gz VEBXAWQSJRMMBE-UHFFFAOYSA-N 2 2 298.430 2.410 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)ccnc2N)CC1 ZINC000894229078 629239915 /nfs/dbraw/zinc/23/99/15/629239915.db2.gz MDUKHHDSZLOFAU-UHFFFAOYSA-N 2 2 274.412 2.102 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000924984276 629321057 /nfs/dbraw/zinc/32/10/57/629321057.db2.gz QWFZRMDCANZDPR-CQSZACIVSA-N 2 2 259.397 2.253 20 30 CEEDLP C#CC[NH+]1CCC(Nc2nc(NC)c3ccccc3[nH+]2)CC1 ZINC000895812967 630358813 /nfs/dbraw/zinc/35/88/13/630358813.db2.gz YXPYRZCEFZQXQT-UHFFFAOYSA-N 2 2 295.390 2.181 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C#N)ccn1 ZINC000902753782 634810392 /nfs/dbraw/zinc/81/03/92/634810392.db2.gz STWMGGGNVMITOR-CFVMTHIKSA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C#N)ccn1 ZINC000902753782 634810394 /nfs/dbraw/zinc/81/03/94/634810394.db2.gz STWMGGGNVMITOR-CFVMTHIKSA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C#N)ccn1 ZINC000902753780 634810897 /nfs/dbraw/zinc/81/08/97/634810897.db2.gz STWMGGGNVMITOR-AEGPPILISA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C#N)ccn1 ZINC000902753780 634810901 /nfs/dbraw/zinc/81/09/01/634810901.db2.gz STWMGGGNVMITOR-AEGPPILISA-N 2 2 270.380 2.231 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819025142 634045065 /nfs/dbraw/zinc/04/50/65/634045065.db2.gz ZGJANCBSPQFKDI-MRXNPFEDSA-N 2 2 278.371 2.099 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254718 639741153 /nfs/dbraw/zinc/74/11/53/639741153.db2.gz ASSUBNVNVUIVBP-HNNXBMFYSA-N 2 2 283.375 2.321 20 30 CEEDLP CCCN(CCC)c1ccc(C=[NH+]NC(N)=[NH2+])cc1 ZINC000915050538 640504264 /nfs/dbraw/zinc/50/42/64/640504264.db2.gz ADVHNEDCWRYCEE-UHFFFAOYSA-N 2 2 261.373 2.130 20 30 CEEDLP Cc1cc(N(C)C)ccc1C=[NH+]NCCCn1cc[nH+]c1 ZINC000848416250 641983622 /nfs/dbraw/zinc/98/36/22/641983622.db2.gz DQBQBKBXBRRVGZ-UHFFFAOYSA-N 2 2 285.395 2.271 20 30 CEEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000921508558 642039235 /nfs/dbraw/zinc/03/92/35/642039235.db2.gz OIJXCYGZKHBEDN-STQMWFEESA-N 2 2 293.436 2.209 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)ccc1N(C)C ZINC000877527824 650768556 /nfs/dbraw/zinc/76/85/56/650768556.db2.gz SGBZSYFLOOFDBY-UHFFFAOYSA-N 2 2 288.439 2.398 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)ccc1N(C)C ZINC000877527824 650768558 /nfs/dbraw/zinc/76/85/58/650768558.db2.gz SGBZSYFLOOFDBY-UHFFFAOYSA-N 2 2 288.439 2.398 20 30 CEEDLP C#CCOCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000852014526 643265865 /nfs/dbraw/zinc/26/58/65/643265865.db2.gz DHMOVAXHPZIENO-HNNXBMFYSA-N 2 2 287.407 2.049 20 30 CEEDLP C#CCOCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000852014526 643265868 /nfs/dbraw/zinc/26/58/68/643265868.db2.gz DHMOVAXHPZIENO-HNNXBMFYSA-N 2 2 287.407 2.049 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740325 650882473 /nfs/dbraw/zinc/88/24/73/650882473.db2.gz RCNARHGHLYCBNA-YJBOKZPZSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740325 650882475 /nfs/dbraw/zinc/88/24/75/650882475.db2.gz RCNARHGHLYCBNA-YJBOKZPZSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740325 650882478 /nfs/dbraw/zinc/88/24/78/650882478.db2.gz RCNARHGHLYCBNA-YJBOKZPZSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740325 650882482 /nfs/dbraw/zinc/88/24/82/650882482.db2.gz RCNARHGHLYCBNA-YJBOKZPZSA-N 2 2 298.434 2.150 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865453701 647301251 /nfs/dbraw/zinc/30/12/51/647301251.db2.gz IKVCTHUMGFKUDG-UHFFFAOYSA-N 2 2 298.434 2.364 20 30 CEEDLP C#CCSCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784567828 647863630 /nfs/dbraw/zinc/86/36/30/647863630.db2.gz SUPIHIHRZHFWJB-UHFFFAOYSA-N 2 2 277.418 2.390 20 30 CEEDLP C=C(C)CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206521 651401291 /nfs/dbraw/zinc/40/12/91/651401291.db2.gz HAIGFNIZCNYDJX-HNNXBMFYSA-N 2 2 252.402 2.186 20 30 CEEDLP C=C(C)CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206521 651401292 /nfs/dbraw/zinc/40/12/92/651401292.db2.gz HAIGFNIZCNYDJX-HNNXBMFYSA-N 2 2 252.402 2.186 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000883131317 652372769 /nfs/dbraw/zinc/37/27/69/652372769.db2.gz VWANVKDNIFYBNY-UHFFFAOYSA-N 2 2 267.376 2.280 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nccc2ccccc21 ZINC000883131317 652372770 /nfs/dbraw/zinc/37/27/70/652372770.db2.gz VWANVKDNIFYBNY-UHFFFAOYSA-N 2 2 267.376 2.280 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000883223419 652405157 /nfs/dbraw/zinc/40/51/57/652405157.db2.gz PAFYOTFMNPAUNP-DUVNUKRYSA-N 2 2 275.396 2.370 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054363 806338514 /nfs/dbraw/zinc/33/85/14/806338514.db2.gz FZKWYZNHZAHPCE-UHFFFAOYSA-N 2 2 284.403 2.415 20 30 CEEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266694827 802847274 /nfs/dbraw/zinc/84/72/74/802847274.db2.gz BRVOJLXINABXFX-OKILXGFUSA-N 2 2 298.390 2.380 20 30 CEEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001236871307 808181724 /nfs/dbraw/zinc/18/17/24/808181724.db2.gz ZMXGDLIPOQQMTK-ZDUSSCGKSA-N 2 2 256.353 2.209 20 30 CEEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001236871307 808181730 /nfs/dbraw/zinc/18/17/30/808181730.db2.gz ZMXGDLIPOQQMTK-ZDUSSCGKSA-N 2 2 256.353 2.209 20 30 CEEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134732049 813320991 /nfs/dbraw/zinc/32/09/91/813320991.db2.gz CIHBXBZLWWPFMM-NWDGAFQWSA-N 2 2 286.379 2.235 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071361 813360555 /nfs/dbraw/zinc/36/05/55/813360555.db2.gz FDQDKNSRPBDBFP-AWEZNQCLSA-N 2 2 294.443 2.265 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071361 813360564 /nfs/dbraw/zinc/36/05/64/813360564.db2.gz FDQDKNSRPBDBFP-AWEZNQCLSA-N 2 2 294.443 2.265 20 30 CEEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]([NH3+])C[C@@H](F)C3)C[C@H](C1)C2 ZINC001246576269 814123204 /nfs/dbraw/zinc/12/32/04/814123204.db2.gz FNBBCNXCELDBQL-PFNKYVCDSA-N 2 2 252.377 2.492 20 30 CEEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]([NH3+])C[C@@H](F)C3)C[C@H](C1)C2 ZINC001246576269 814123210 /nfs/dbraw/zinc/12/32/10/814123210.db2.gz FNBBCNXCELDBQL-PFNKYVCDSA-N 2 2 252.377 2.492 20 30 CEEDLP C#CC[NH+](CC#C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550173 815824359 /nfs/dbraw/zinc/82/43/59/815824359.db2.gz MMTDELULPZGIEZ-UHFFFAOYSA-N 2 2 263.344 2.249 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1C#N ZINC001139726190 816096693 /nfs/dbraw/zinc/09/66/93/816096693.db2.gz YPKGQRDFGKWWHB-IAGOWNOFSA-N 2 2 269.392 2.250 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1C#N ZINC001139726190 816096700 /nfs/dbraw/zinc/09/67/00/816096700.db2.gz YPKGQRDFGKWWHB-IAGOWNOFSA-N 2 2 269.392 2.250 20 30 CEEDLP C[N@H+](CCCC#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968685 344030787 /nfs/dbraw/zinc/03/07/87/344030787.db2.gz QPFPYHBWOAYLRA-UHFFFAOYSA-N 2 2 258.369 2.286 20 30 CEEDLP C[N@@H+](CCCC#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968685 344030790 /nfs/dbraw/zinc/03/07/90/344030790.db2.gz QPFPYHBWOAYLRA-UHFFFAOYSA-N 2 2 258.369 2.286 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602005165 346955909 /nfs/dbraw/zinc/95/59/09/346955909.db2.gz NELXSTJIWULWIV-KGLIPLIRSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602005165 346955911 /nfs/dbraw/zinc/95/59/11/346955911.db2.gz NELXSTJIWULWIV-KGLIPLIRSA-N 2 2 273.355 2.414 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000602562917 347079057 /nfs/dbraw/zinc/07/90/57/347079057.db2.gz IIFIATWLYIAOOV-ZBFHGGJFSA-N 2 2 291.439 2.159 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000602562917 347079058 /nfs/dbraw/zinc/07/90/58/347079058.db2.gz IIFIATWLYIAOOV-ZBFHGGJFSA-N 2 2 291.439 2.159 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000531382350 344931269 /nfs/dbraw/zinc/93/12/69/344931269.db2.gz XGDBZVZNQIWYIF-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000531382350 344931272 /nfs/dbraw/zinc/93/12/72/344931272.db2.gz XGDBZVZNQIWYIF-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000531382350 344931275 /nfs/dbraw/zinc/93/12/75/344931275.db2.gz XGDBZVZNQIWYIF-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000531382350 344931276 /nfs/dbraw/zinc/93/12/76/344931276.db2.gz XGDBZVZNQIWYIF-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP COC[C@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]1 ZINC000591579391 345266723 /nfs/dbraw/zinc/26/67/23/345266723.db2.gz VLSUFYRVZBAWPI-ZWKOTPCHSA-N 2 2 299.418 2.294 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(F)c1 ZINC000060393784 362661372 /nfs/dbraw/zinc/66/13/72/362661372.db2.gz TWULXIYABGJEMA-UHFFFAOYSA-N 2 2 261.344 2.273 20 30 CEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1C#N)C2 ZINC000595508212 345799520 /nfs/dbraw/zinc/79/95/20/345799520.db2.gz VNLFNKHRQIXBNZ-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1C#N)C2 ZINC000595508212 345799524 /nfs/dbraw/zinc/79/95/24/345799524.db2.gz VNLFNKHRQIXBNZ-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC000595508212 345799527 /nfs/dbraw/zinc/79/95/27/345799527.db2.gz VNLFNKHRQIXBNZ-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC000595508212 345799531 /nfs/dbraw/zinc/79/95/31/345799531.db2.gz VNLFNKHRQIXBNZ-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)n1 ZINC000602661070 347128546 /nfs/dbraw/zinc/12/85/46/347128546.db2.gz CJZITRLSQKMQEM-UHFFFAOYSA-N 2 2 272.396 2.261 20 30 CEEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)n1 ZINC000602661070 347128549 /nfs/dbraw/zinc/12/85/49/347128549.db2.gz CJZITRLSQKMQEM-UHFFFAOYSA-N 2 2 272.396 2.261 20 30 CEEDLP C[C@@H](CCC#N)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000602723528 347171741 /nfs/dbraw/zinc/17/17/41/347171741.db2.gz DAJIOCLGIWSQAG-HNNXBMFYSA-N 2 2 279.428 2.113 20 30 CEEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000610762229 347711935 /nfs/dbraw/zinc/71/19/35/347711935.db2.gz PQHVAHXXLMBZGK-SJORKVTESA-N 2 2 292.471 2.027 20 30 CEEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000610762229 347711937 /nfs/dbraw/zinc/71/19/37/347711937.db2.gz PQHVAHXXLMBZGK-SJORKVTESA-N 2 2 292.471 2.027 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000610994280 347729886 /nfs/dbraw/zinc/72/98/86/347729886.db2.gz XJRCGNWCHZGXPO-INIZCTEOSA-N 2 2 284.407 2.261 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000610994280 347729889 /nfs/dbraw/zinc/72/98/89/347729889.db2.gz XJRCGNWCHZGXPO-INIZCTEOSA-N 2 2 284.407 2.261 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730172 /nfs/dbraw/zinc/73/01/72/347730172.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730175 /nfs/dbraw/zinc/73/01/75/347730175.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730177 /nfs/dbraw/zinc/73/01/77/347730177.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730179 /nfs/dbraw/zinc/73/01/79/347730179.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730356 /nfs/dbraw/zinc/73/03/56/347730356.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730361 /nfs/dbraw/zinc/73/03/61/347730361.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730365 /nfs/dbraw/zinc/73/03/65/347730365.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730368 /nfs/dbraw/zinc/73/03/68/347730368.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619716308 349225906 /nfs/dbraw/zinc/22/59/06/349225906.db2.gz IQIOAZDDTAXXEJ-MRXNPFEDSA-N 2 2 294.439 2.302 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407836 350010937 /nfs/dbraw/zinc/01/09/37/350010937.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 3 2 265.445 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407836 350010939 /nfs/dbraw/zinc/01/09/39/350010939.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 3 2 265.445 2.099 20 30 CEEDLP C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCOCC1 ZINC000353255104 295973421 /nfs/dbraw/zinc/97/34/21/295973421.db2.gz NPBVCPQWMWAAAV-KBXCAEBGSA-N 2 2 299.418 2.103 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578335070 366480339 /nfs/dbraw/zinc/48/03/39/366480339.db2.gz AXIDDBOIVHANNF-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578335070 366480344 /nfs/dbraw/zinc/48/03/44/366480344.db2.gz AXIDDBOIVHANNF-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CSC1)C(C)C ZINC000679625600 541296304 /nfs/dbraw/zinc/29/63/04/541296304.db2.gz XRSMQJUWVGFNNW-AWEZNQCLSA-N 2 2 254.443 2.390 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121029669 365514422 /nfs/dbraw/zinc/51/44/22/365514422.db2.gz JXUZHRORZMQWAE-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121029669 365514425 /nfs/dbraw/zinc/51/44/25/365514425.db2.gz JXUZHRORZMQWAE-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000582578133 366928775 /nfs/dbraw/zinc/92/87/75/366928775.db2.gz PSVPDZFLYVHQNS-WCQYABFASA-N 2 2 287.392 2.294 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000582578133 366928781 /nfs/dbraw/zinc/92/87/81/366928781.db2.gz PSVPDZFLYVHQNS-WCQYABFASA-N 2 2 287.392 2.294 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127619 /nfs/dbraw/zinc/12/76/19/367127619.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127623 /nfs/dbraw/zinc/12/76/23/367127623.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127628 /nfs/dbraw/zinc/12/76/28/367127628.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127632 /nfs/dbraw/zinc/12/76/32/367127632.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172648788 367793354 /nfs/dbraw/zinc/79/33/54/367793354.db2.gz ZRDKDPZEYVLWHL-HNNXBMFYSA-N 2 2 269.392 2.476 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172648788 367793361 /nfs/dbraw/zinc/79/33/61/367793361.db2.gz ZRDKDPZEYVLWHL-HNNXBMFYSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000343626354 367925855 /nfs/dbraw/zinc/92/58/55/367925855.db2.gz TZDBRHAZXZNRGN-UHFFFAOYSA-N 2 2 297.406 2.124 20 30 CEEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000343626354 367925864 /nfs/dbraw/zinc/92/58/64/367925864.db2.gz TZDBRHAZXZNRGN-UHFFFAOYSA-N 2 2 297.406 2.124 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675217 368481230 /nfs/dbraw/zinc/48/12/30/368481230.db2.gz SUMWKUUDHAWLHN-PBHICJAKSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675217 368481236 /nfs/dbraw/zinc/48/12/36/368481236.db2.gz SUMWKUUDHAWLHN-PBHICJAKSA-N 2 2 287.407 2.320 20 30 CEEDLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000346171361 368575039 /nfs/dbraw/zinc/57/50/39/368575039.db2.gz RPJUDSDZYIVDAL-KRWDZBQOSA-N 2 2 296.374 2.137 20 30 CEEDLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000346171361 368575041 /nfs/dbraw/zinc/57/50/41/368575041.db2.gz RPJUDSDZYIVDAL-KRWDZBQOSA-N 2 2 296.374 2.137 20 30 CEEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183830411 368653547 /nfs/dbraw/zinc/65/35/47/368653547.db2.gz MKGIANYKLBJFSN-AWEZNQCLSA-N 2 2 282.391 2.272 20 30 CEEDLP CC(C)CN(CC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000348893733 369193010 /nfs/dbraw/zinc/19/30/10/369193010.db2.gz LZNSTYZFEDKUTF-UHFFFAOYSA-N 2 2 299.422 2.226 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330819894 203276889 /nfs/dbraw/zinc/27/68/89/203276889.db2.gz MPOGDPALGLKFDU-AWEZNQCLSA-N 2 2 295.390 2.160 20 30 CEEDLP C[NH+](CC#CC[N@@H+](C)Cc1ccco1)Cc1ccco1 ZINC000351607027 369643881 /nfs/dbraw/zinc/64/38/81/369643881.db2.gz GJXRAQWRQGFJFI-UHFFFAOYSA-N 2 2 272.348 2.440 20 30 CEEDLP C[NH+](CC#CC[N@H+](C)Cc1ccco1)Cc1ccco1 ZINC000351607027 369643887 /nfs/dbraw/zinc/64/38/87/369643887.db2.gz GJXRAQWRQGFJFI-UHFFFAOYSA-N 2 2 272.348 2.440 20 30 CEEDLP C[C@H](CC[NH2+]Cc1nc(C#N)cs1)[NH+]1CCCCC1 ZINC000352860390 369918725 /nfs/dbraw/zinc/91/87/25/369918725.db2.gz BAARZSHVDWANOP-GFCCVEGCSA-N 2 2 278.425 2.369 20 30 CEEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358568348 371121223 /nfs/dbraw/zinc/12/12/23/371121223.db2.gz KUKFMKMXPGJMAU-LLVKDONJSA-N 2 2 258.300 2.245 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCOC2)CC1 ZINC000361209661 371716183 /nfs/dbraw/zinc/71/61/83/371716183.db2.gz UEIHNWRGRKHFIY-HIFRSBDPSA-N 2 2 252.402 2.042 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccc(F)cc1 ZINC000264073026 371963185 /nfs/dbraw/zinc/96/31/85/371963185.db2.gz DRONAUYSXMPLAT-CYBMUJFWSA-N 2 2 280.391 2.131 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794520 372074354 /nfs/dbraw/zinc/07/43/54/372074354.db2.gz BJPXNKLJAWRMFH-JCGIZDLHSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794520 372074358 /nfs/dbraw/zinc/07/43/58/372074358.db2.gz BJPXNKLJAWRMFH-JCGIZDLHSA-N 2 2 299.418 2.462 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641358096 372460890 /nfs/dbraw/zinc/46/08/90/372460890.db2.gz GFPCMWXGZWZNMZ-UHFFFAOYSA-N 2 2 261.369 2.026 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000273076454 373746049 /nfs/dbraw/zinc/74/60/49/373746049.db2.gz PNBMMPGIUPHSBE-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000273076454 373746054 /nfs/dbraw/zinc/74/60/54/373746054.db2.gz PNBMMPGIUPHSBE-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276269 /nfs/dbraw/zinc/27/62/69/374276269.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276277 /nfs/dbraw/zinc/27/62/77/374276277.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276289 /nfs/dbraw/zinc/27/62/89/374276289.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141150 374276298 /nfs/dbraw/zinc/27/62/98/374276298.db2.gz QMVIGOFMCAUWLV-WMZOPIPTSA-N 2 2 299.418 2.353 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378360811 375081650 /nfs/dbraw/zinc/08/16/50/375081650.db2.gz CQROEDPTWKRPRX-AWEZNQCLSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378360811 375081656 /nfs/dbraw/zinc/08/16/56/375081656.db2.gz CQROEDPTWKRPRX-AWEZNQCLSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1C#N ZINC000282364327 375467279 /nfs/dbraw/zinc/46/72/79/375467279.db2.gz PWBFALVODRXOHB-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1C#N ZINC000282364327 375467285 /nfs/dbraw/zinc/46/72/85/375467285.db2.gz PWBFALVODRXOHB-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C#N ZINC000282294880 375449940 /nfs/dbraw/zinc/44/99/40/375449940.db2.gz LXCKZSRKRKHSOZ-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C#N ZINC000282294880 375449946 /nfs/dbraw/zinc/44/99/46/375449946.db2.gz LXCKZSRKRKHSOZ-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000290004107 376596962 /nfs/dbraw/zinc/59/69/62/376596962.db2.gz ZHFHHHMLGHHEHR-HNNXBMFYSA-N 2 2 294.826 2.441 20 30 CEEDLP C[C@H](C#N)C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909551 376733590 /nfs/dbraw/zinc/73/35/90/376733590.db2.gz ZDXMIVPXYIAJED-OAHLLOKOSA-N 2 2 287.407 2.110 20 30 CEEDLP C[C@H](C#N)C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909551 376733595 /nfs/dbraw/zinc/73/35/95/376733595.db2.gz ZDXMIVPXYIAJED-OAHLLOKOSA-N 2 2 287.407 2.110 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000436314505 377825426 /nfs/dbraw/zinc/82/54/26/377825426.db2.gz YDWRQAPRTQMEFZ-VDERGJSUSA-N 2 2 264.413 2.040 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000436314505 377825430 /nfs/dbraw/zinc/82/54/30/377825430.db2.gz YDWRQAPRTQMEFZ-VDERGJSUSA-N 2 2 264.413 2.040 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000294535663 377994870 /nfs/dbraw/zinc/99/48/70/377994870.db2.gz AIHNOBLZONCOOP-AWEZNQCLSA-N 2 2 262.401 2.070 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000268131167 190379368 /nfs/dbraw/zinc/37/93/68/190379368.db2.gz PTQFSKVTPZBGRR-LRDDRELGSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000268131167 190379369 /nfs/dbraw/zinc/37/93/69/190379369.db2.gz PTQFSKVTPZBGRR-LRDDRELGSA-N 2 2 285.391 2.139 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C#N)c1 ZINC000530217011 380197183 /nfs/dbraw/zinc/19/71/83/380197183.db2.gz DXWIXSBDSGWFOV-WFASDCNBSA-N 2 2 255.365 2.493 20 30 CEEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000044537233 394507097 /nfs/dbraw/zinc/50/70/97/394507097.db2.gz NTQYIUULCDMPMU-CYBMUJFWSA-N 2 2 261.344 2.129 20 30 CEEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000044537233 394507098 /nfs/dbraw/zinc/50/70/98/394507098.db2.gz NTQYIUULCDMPMU-CYBMUJFWSA-N 2 2 261.344 2.129 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261725799 394606340 /nfs/dbraw/zinc/60/63/40/394606340.db2.gz GROZNFFBMGNXOS-NWDGAFQWSA-N 2 2 294.468 2.198 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000261725799 394606343 /nfs/dbraw/zinc/60/63/43/394606343.db2.gz GROZNFFBMGNXOS-NWDGAFQWSA-N 2 2 294.468 2.198 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000152941308 394999929 /nfs/dbraw/zinc/99/99/29/394999929.db2.gz QVZFJJFBOKZKIL-ZBFHGGJFSA-N 3 2 265.445 2.099 20 30 CEEDLP Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425200277 395052287 /nfs/dbraw/zinc/05/22/87/395052287.db2.gz KJWQBRMZHDTGLM-KRWDZBQOSA-N 2 2 294.402 2.268 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000373187141 395056281 /nfs/dbraw/zinc/05/62/81/395056281.db2.gz KHWHAHZKVOFKFW-WCXIOVBPSA-N 2 2 291.439 2.159 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000571994254 395585527 /nfs/dbraw/zinc/58/55/27/395585527.db2.gz OEOQMFCPUSSQSZ-QGZVFWFLSA-N 2 2 293.374 2.465 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000651818903 401398547 /nfs/dbraw/zinc/39/85/47/401398547.db2.gz KCDNSBNFIZGZQK-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000651818903 401398550 /nfs/dbraw/zinc/39/85/50/401398550.db2.gz KCDNSBNFIZGZQK-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCCn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)nn1 ZINC000657436218 414936423 /nfs/dbraw/zinc/93/64/23/414936423.db2.gz UKAIMRHPRWPTKK-UHFFFAOYSA-N 2 2 291.443 2.066 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2nccn2C(C)C)CC1 ZINC000657352865 414879832 /nfs/dbraw/zinc/87/98/32/414879832.db2.gz LSNHGAMXCUGAOC-UHFFFAOYSA-N 2 2 262.401 2.204 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000365199595 262283818 /nfs/dbraw/zinc/28/38/18/262283818.db2.gz UJEKTMNQSGTRHH-KGLIPLIRSA-N 2 2 272.396 2.434 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415065664 263259632 /nfs/dbraw/zinc/25/96/32/263259632.db2.gz HCSYTKUDDSBCNE-HNNXBMFYSA-N 2 2 260.381 2.483 20 30 CEEDLP C[NH+](CC#CC[N@@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000341830436 263353795 /nfs/dbraw/zinc/35/37/95/263353795.db2.gz GKWSXJXOYASGPW-UHFFFAOYSA-N 2 2 272.348 2.440 20 30 CEEDLP C[NH+](CC#CC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000341830436 263353796 /nfs/dbraw/zinc/35/37/96/263353796.db2.gz GKWSXJXOYASGPW-UHFFFAOYSA-N 2 2 272.348 2.440 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000522011235 267059980 /nfs/dbraw/zinc/05/99/80/267059980.db2.gz UFNURQTUIBLNOL-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000522011235 267059982 /nfs/dbraw/zinc/05/99/82/267059982.db2.gz UFNURQTUIBLNOL-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329178197 276152594 /nfs/dbraw/zinc/15/25/94/276152594.db2.gz NKEBLGCTATWWIL-BXUZGUMPSA-N 2 2 276.384 2.098 20 30 CEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329178197 276152596 /nfs/dbraw/zinc/15/25/96/276152596.db2.gz NKEBLGCTATWWIL-BXUZGUMPSA-N 2 2 276.384 2.098 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154297002 289140713 /nfs/dbraw/zinc/14/07/13/289140713.db2.gz QCIADVPPKSSGCV-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000154297002 289140714 /nfs/dbraw/zinc/14/07/14/289140714.db2.gz QCIADVPPKSSGCV-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154297002 289140715 /nfs/dbraw/zinc/14/07/15/289140715.db2.gz QCIADVPPKSSGCV-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154297002 289140716 /nfs/dbraw/zinc/14/07/16/289140716.db2.gz QCIADVPPKSSGCV-CJNGLKHVSA-N 2 2 287.407 2.481 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148280 /nfs/dbraw/zinc/14/82/80/289148280.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148281 /nfs/dbraw/zinc/14/82/81/289148281.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148282 /nfs/dbraw/zinc/14/82/82/289148282.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148283 /nfs/dbraw/zinc/14/82/83/289148283.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375266985 329002203 /nfs/dbraw/zinc/00/22/03/329002203.db2.gz HRONQADYTOPJMK-CHWSQXEVSA-N 2 2 258.369 2.391 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000360055899 329070747 /nfs/dbraw/zinc/07/07/47/329070747.db2.gz GCYCVXHYUWYKJQ-JJXSEGSLSA-N 2 2 279.428 2.158 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422913490 330160320 /nfs/dbraw/zinc/16/03/20/330160320.db2.gz YONMZZZXDMUSOS-ZFWWWQNUSA-N 2 2 260.381 2.339 20 30 CEEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449696612 330944327 /nfs/dbraw/zinc/94/43/27/330944327.db2.gz ILDNIOQUTQKUBK-ZDUSSCGKSA-N 2 2 259.353 2.059 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000363384510 526709560 /nfs/dbraw/zinc/70/95/60/526709560.db2.gz LMYPMBUGRAPVSW-MSOLQXFVSA-N 2 2 299.418 2.149 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347089994 526757263 /nfs/dbraw/zinc/75/72/63/526757263.db2.gz PDMGPWPZVCSCIN-OAHLLOKOSA-N 2 2 262.353 2.127 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347089994 526757269 /nfs/dbraw/zinc/75/72/69/526757269.db2.gz PDMGPWPZVCSCIN-OAHLLOKOSA-N 2 2 262.353 2.127 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000728712094 574468815 /nfs/dbraw/zinc/46/88/15/574468815.db2.gz ZOMWLAXYTRMEOS-HIFRSBDPSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000728712094 574468816 /nfs/dbraw/zinc/46/88/16/574468816.db2.gz ZOMWLAXYTRMEOS-HIFRSBDPSA-N 2 2 273.380 2.161 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1OC ZINC000729682551 574490813 /nfs/dbraw/zinc/49/08/13/574490813.db2.gz UOSIPYBWWLPFNE-AWEZNQCLSA-N 2 2 276.380 2.054 20 30 CEEDLP C#CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000747528001 575171566 /nfs/dbraw/zinc/17/15/66/575171566.db2.gz HOIGGDOMVMTDPE-IEBWSBKVSA-N 2 2 298.430 2.066 20 30 CEEDLP C#CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000747528001 575171567 /nfs/dbraw/zinc/17/15/67/575171567.db2.gz HOIGGDOMVMTDPE-IEBWSBKVSA-N 2 2 298.430 2.066 20 30 CEEDLP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915653 613773229 /nfs/dbraw/zinc/77/32/29/613773229.db2.gz QTOOCJBSGDIYAO-BLLLJJGKSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915653 613773230 /nfs/dbraw/zinc/77/32/30/613773230.db2.gz QTOOCJBSGDIYAO-BLLLJJGKSA-N 2 2 298.390 2.189 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(CC)nc2C)CC1 ZINC000892881258 627827633 /nfs/dbraw/zinc/82/76/33/627827633.db2.gz UCKBXGKDHFKHJM-UHFFFAOYSA-N 2 2 276.428 2.342 20 30 CEEDLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902465938 634683648 /nfs/dbraw/zinc/68/36/48/634683648.db2.gz HMRNBJSRXXEZFI-CAOSSQGBSA-N 2 2 255.365 2.492 20 30 CEEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902761194 634814754 /nfs/dbraw/zinc/81/47/54/634814754.db2.gz MLIIMMMWLLXINU-DZGCQCFKSA-N 2 2 272.396 2.336 20 30 CEEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902761194 634814761 /nfs/dbraw/zinc/81/47/61/634814761.db2.gz MLIIMMMWLLXINU-DZGCQCFKSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000902832024 634850743 /nfs/dbraw/zinc/85/07/43/634850743.db2.gz IFYOFLMSOQIPSK-AEGPPILISA-N 2 2 272.396 2.477 20 30 CEEDLP C=CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccncc1 ZINC000817893911 633755200 /nfs/dbraw/zinc/75/52/00/633755200.db2.gz HUPDTVYGWQUQQB-KBMXLJTQSA-N 2 2 275.396 2.055 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817918693 633776604 /nfs/dbraw/zinc/77/66/04/633776604.db2.gz MWSUENVFMBLQHJ-BBRMVZONSA-N 2 2 273.380 2.209 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000817942000 633790139 /nfs/dbraw/zinc/79/01/39/633790139.db2.gz VLZVZIPLMHETJK-ZFWWWQNUSA-N 2 2 258.365 2.101 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000817952480 633796901 /nfs/dbraw/zinc/79/69/01/633796901.db2.gz QZEIAXMGEFTVGD-HIFRSBDPSA-N 2 2 258.365 2.101 20 30 CEEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903433214 635115864 /nfs/dbraw/zinc/11/58/64/635115864.db2.gz VBTIHPOEJRIEDV-HIFRSBDPSA-N 2 2 289.379 2.438 20 30 CEEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903433214 635115868 /nfs/dbraw/zinc/11/58/68/635115868.db2.gz VBTIHPOEJRIEDV-HIFRSBDPSA-N 2 2 289.379 2.438 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C#N ZINC000903473001 635144055 /nfs/dbraw/zinc/14/40/55/635144055.db2.gz YSGKHXNPDSAUGZ-HNNXBMFYSA-N 2 2 255.365 2.241 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C#N ZINC000903473002 635144284 /nfs/dbraw/zinc/14/42/84/635144284.db2.gz YSGKHXNPDSAUGZ-OAHLLOKOSA-N 2 2 255.365 2.241 20 30 CEEDLP COc1cccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)c1 ZINC000170905221 639683833 /nfs/dbraw/zinc/68/38/33/639683833.db2.gz KTSXCFVDUFEJBM-UHFFFAOYSA-N 2 2 299.378 2.319 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000849026991 642240461 /nfs/dbraw/zinc/24/04/61/642240461.db2.gz RQOUBDPDPPQZFN-QWHCGFSZSA-N 2 2 278.400 2.399 20 30 CEEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000999760294 642509414 /nfs/dbraw/zinc/50/94/14/642509414.db2.gz FNUHKIXJENQRKB-HNNXBMFYSA-N 2 2 287.407 2.387 20 30 CEEDLP N#CCCOCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569799 651462331 /nfs/dbraw/zinc/46/23/31/651462331.db2.gz PDGVMJIAGJWXQO-INIZCTEOSA-N 2 2 284.363 2.144 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(SC)o1 ZINC000883131369 652372671 /nfs/dbraw/zinc/37/26/71/652372671.db2.gz YVGIYTZYWYUZGA-UHFFFAOYSA-N 2 2 252.383 2.046 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(SC)o1 ZINC000883131369 652372673 /nfs/dbraw/zinc/37/26/73/652372673.db2.gz YVGIYTZYWYUZGA-UHFFFAOYSA-N 2 2 252.383 2.046 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000883131178 652372851 /nfs/dbraw/zinc/37/28/51/652372851.db2.gz LSRBQXFRXQFDLO-UHFFFAOYSA-N 2 2 277.437 2.455 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000883131178 652372854 /nfs/dbraw/zinc/37/28/54/652372854.db2.gz LSRBQXFRXQFDLO-UHFFFAOYSA-N 2 2 277.437 2.455 20 30 CEEDLP C=CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994225 805598746 /nfs/dbraw/zinc/59/87/46/805598746.db2.gz ZNOPPEKNZMHAKQ-JWTNVVGKSA-N 2 2 289.467 2.195 20 30 CEEDLP C=CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994225 805598749 /nfs/dbraw/zinc/59/87/49/805598749.db2.gz ZNOPPEKNZMHAKQ-JWTNVVGKSA-N 2 2 289.467 2.195 20 30 CEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167968995 805494662 /nfs/dbraw/zinc/49/46/62/805494662.db2.gz XWXRUXYBTBTAPT-GOOCMWNKSA-N 2 2 259.397 2.285 20 30 CEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968995 805494666 /nfs/dbraw/zinc/49/46/66/805494666.db2.gz XWXRUXYBTBTAPT-GOOCMWNKSA-N 2 2 259.397 2.285 20 30 CEEDLP C=CC[NH+]1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171638180 815214022 /nfs/dbraw/zinc/21/40/22/815214022.db2.gz VNWVYRIPBMSITK-UHFFFAOYSA-N 2 2 279.472 2.441 20 30 CEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483819 812546924 /nfs/dbraw/zinc/54/69/24/812546924.db2.gz PWIRFJZRAAOAGR-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739756 813318627 /nfs/dbraw/zinc/31/86/27/813318627.db2.gz JOAQLWHDUYWNOE-OLZOCXBDSA-N 2 2 298.390 2.073 20 30 CEEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001245981294 813659062 /nfs/dbraw/zinc/65/90/62/813659062.db2.gz ABFVQURJXREKLQ-LSDHHAIUSA-N 2 2 268.445 2.440 20 30 CEEDLP C#Cc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001144578696 814115122 /nfs/dbraw/zinc/11/51/22/814115122.db2.gz JOTIZYMTYKFREC-UHFFFAOYSA-N 2 2 253.349 2.387 20 30 CEEDLP C#Cc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001144578696 814115126 /nfs/dbraw/zinc/11/51/26/814115126.db2.gz JOTIZYMTYKFREC-UHFFFAOYSA-N 2 2 253.349 2.387 20 30 CEEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712520 814311925 /nfs/dbraw/zinc/31/19/25/814311925.db2.gz CPEPQBPKZWSUKP-HUUCEWRRSA-N 2 2 292.427 2.112 20 30 CEEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001173591881 815755966 /nfs/dbraw/zinc/75/59/66/815755966.db2.gz WDBODCUINRUVRG-CKDBGZEDSA-N 2 2 291.439 2.302 20 30 CEEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001173591881 815755968 /nfs/dbraw/zinc/75/59/68/815755968.db2.gz WDBODCUINRUVRG-CKDBGZEDSA-N 2 2 291.439 2.302 20 30 CEEDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCC#N)cc2)CC1 ZINC001140301063 816227519 /nfs/dbraw/zinc/22/75/19/816227519.db2.gz XKJDMCADMLRQFM-UHFFFAOYSA-N 2 2 286.423 2.174 20 30 CEEDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC#N)cc2)CC1 ZINC001140301063 816227526 /nfs/dbraw/zinc/22/75/26/816227526.db2.gz XKJDMCADMLRQFM-UHFFFAOYSA-N 2 2 286.423 2.174 20 30 CEEDLP C=CC[C@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668493849 539183794 /nfs/dbraw/zinc/18/37/94/539183794.db2.gz RZMGLCKTOCBEDB-ZDUSSCGKSA-N 2 2 262.401 2.274 20 30 CEEDLP C=CC[C@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668493849 539183796 /nfs/dbraw/zinc/18/37/96/539183796.db2.gz RZMGLCKTOCBEDB-ZDUSSCGKSA-N 2 2 262.401 2.274 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000602515193 347063565 /nfs/dbraw/zinc/06/35/65/347063565.db2.gz OIELRHHABDQZFC-INIZCTEOSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000594955669 345715809 /nfs/dbraw/zinc/71/58/09/345715809.db2.gz ROSHVXIQHIQXCR-BBRMVZONSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000594955669 345715811 /nfs/dbraw/zinc/71/58/11/345715811.db2.gz ROSHVXIQHIQXCR-BBRMVZONSA-N 2 2 269.392 2.316 20 30 CEEDLP C=CCCSCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000595058321 345736615 /nfs/dbraw/zinc/73/66/15/345736615.db2.gz HNKLYKVVAIDCHF-JSGCOSHPSA-N 2 2 254.443 2.368 20 30 CEEDLP C=CCCSCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000595058321 345736619 /nfs/dbraw/zinc/73/66/19/345736619.db2.gz HNKLYKVVAIDCHF-JSGCOSHPSA-N 2 2 254.443 2.368 20 30 CEEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595468621 345790242 /nfs/dbraw/zinc/79/02/42/345790242.db2.gz AJRDSUJCRWEDAU-HNNXBMFYSA-N 2 2 279.428 2.113 20 30 CEEDLP CC(C)(C#N)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595468621 345790244 /nfs/dbraw/zinc/79/02/44/345790244.db2.gz AJRDSUJCRWEDAU-HNNXBMFYSA-N 2 2 279.428 2.113 20 30 CEEDLP N#CCC1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597203915 346148083 /nfs/dbraw/zinc/14/80/83/346148083.db2.gz QSNLYSIJEFKZKB-UHFFFAOYSA-N 2 2 258.350 2.279 20 30 CEEDLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1C#N ZINC000600706355 346674518 /nfs/dbraw/zinc/67/45/18/346674518.db2.gz VFOXEOFTOAOQBI-CJNGLKHVSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1C#N ZINC000600706355 346674519 /nfs/dbraw/zinc/67/45/19/346674519.db2.gz VFOXEOFTOAOQBI-CJNGLKHVSA-N 2 2 257.381 2.426 20 30 CEEDLP C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000602794343 347200669 /nfs/dbraw/zinc/20/06/69/347200669.db2.gz ACQSENQYVWUSAW-ZIAGYGMSSA-N 2 2 258.369 2.460 20 30 CEEDLP C[C@H](CCC#N)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000602723529 347171588 /nfs/dbraw/zinc/17/15/88/347171588.db2.gz DAJIOCLGIWSQAG-OAHLLOKOSA-N 2 2 279.428 2.113 20 30 CEEDLP Cc1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1C#N ZINC000602752423 347185026 /nfs/dbraw/zinc/18/50/26/347185026.db2.gz PUSCXJXNHQPGKV-KRWDZBQOSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1C#N ZINC000602752423 347185028 /nfs/dbraw/zinc/18/50/28/347185028.db2.gz PUSCXJXNHQPGKV-KRWDZBQOSA-N 2 2 269.392 2.393 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729972 /nfs/dbraw/zinc/72/99/72/347729972.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729974 /nfs/dbraw/zinc/72/99/74/347729974.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729977 /nfs/dbraw/zinc/72/99/77/347729977.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729979 /nfs/dbraw/zinc/72/99/79/347729979.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000105903637 186088034 /nfs/dbraw/zinc/08/80/34/186088034.db2.gz ATTBBKJBCGAHCX-OAHLLOKOSA-N 2 2 285.395 2.118 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803062 363002401 /nfs/dbraw/zinc/00/24/01/363002401.db2.gz LCPJAEOCHLINDD-GOSISDBHSA-N 2 2 299.418 2.102 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803062 363002408 /nfs/dbraw/zinc/00/24/08/363002408.db2.gz LCPJAEOCHLINDD-GOSISDBHSA-N 2 2 299.418 2.102 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629393776 351347855 /nfs/dbraw/zinc/34/78/55/351347855.db2.gz BWXCWCHWECGOLN-DZGCQCFKSA-N 2 2 260.381 2.482 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000123607755 187100608 /nfs/dbraw/zinc/10/06/08/187100608.db2.gz PWPQZVQLWYJWND-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000123607755 187100609 /nfs/dbraw/zinc/10/06/09/187100609.db2.gz PWPQZVQLWYJWND-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607755 187100610 /nfs/dbraw/zinc/10/06/10/187100610.db2.gz PWPQZVQLWYJWND-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607755 187100611 /nfs/dbraw/zinc/10/06/11/187100611.db2.gz PWPQZVQLWYJWND-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(NC(C)=O)c2)CC1 ZINC000631063672 351945184 /nfs/dbraw/zinc/94/51/84/351945184.db2.gz DPZBBQPBQSVXBY-UHFFFAOYSA-N 2 2 287.407 2.385 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292164550 198187827 /nfs/dbraw/zinc/18/78/27/198187827.db2.gz OWZMSXCPJFARFK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292164550 198187829 /nfs/dbraw/zinc/18/78/29/198187829.db2.gz OWZMSXCPJFARFK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292164550 198187831 /nfs/dbraw/zinc/18/78/31/198187831.db2.gz OWZMSXCPJFARFK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292164550 198187833 /nfs/dbraw/zinc/18/78/33/198187833.db2.gz OWZMSXCPJFARFK-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337282645 366123336 /nfs/dbraw/zinc/12/33/36/366123336.db2.gz XOHQLTCDOCIZGI-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337282645 366123343 /nfs/dbraw/zinc/12/33/43/366123343.db2.gz XOHQLTCDOCIZGI-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP N#C[C@@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000577986855 366426455 /nfs/dbraw/zinc/42/64/55/366426455.db2.gz QYJATYSKPLOTOK-TZMCWYRMSA-N 2 2 267.336 2.431 20 30 CEEDLP CC#CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655372 368053512 /nfs/dbraw/zinc/05/35/12/368053512.db2.gz AIAIMWNAIWHHMQ-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP CC#CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655372 368053522 /nfs/dbraw/zinc/05/35/22/368053522.db2.gz AIAIMWNAIWHHMQ-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675206 368481967 /nfs/dbraw/zinc/48/19/67/368481967.db2.gz SUMWKUUDHAWLHN-YOEHRIQHSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675206 368481970 /nfs/dbraw/zinc/48/19/70/368481970.db2.gz SUMWKUUDHAWLHN-YOEHRIQHSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675078 368482295 /nfs/dbraw/zinc/48/22/95/368482295.db2.gz GZYBBELSWOIRAX-WMLDXEAASA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675078 368482305 /nfs/dbraw/zinc/48/23/05/368482305.db2.gz GZYBBELSWOIRAX-WMLDXEAASA-N 2 2 287.407 2.320 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N1CCC(C)CC1 ZINC000264126911 371975674 /nfs/dbraw/zinc/97/56/74/371975674.db2.gz SLMYNBKGJUJAKM-UHFFFAOYSA-N 2 2 299.422 2.391 20 30 CEEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365837015 372947251 /nfs/dbraw/zinc/94/72/51/372947251.db2.gz KAVZGDSIQXZXHU-MRXNPFEDSA-N 2 2 293.455 2.147 20 30 CEEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365837015 372947261 /nfs/dbraw/zinc/94/72/61/372947261.db2.gz KAVZGDSIQXZXHU-MRXNPFEDSA-N 2 2 293.455 2.147 20 30 CEEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000371846777 373990209 /nfs/dbraw/zinc/99/02/09/373990209.db2.gz GNNVEFNOTQLGQI-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000371846777 373990215 /nfs/dbraw/zinc/99/02/15/373990215.db2.gz GNNVEFNOTQLGQI-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000562925264 377023570 /nfs/dbraw/zinc/02/35/70/377023570.db2.gz FGZXVOKQSFEKEY-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000562925264 377023574 /nfs/dbraw/zinc/02/35/74/377023574.db2.gz FGZXVOKQSFEKEY-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCCCC1 ZINC000562986967 377046827 /nfs/dbraw/zinc/04/68/27/377046827.db2.gz FEUBTPWUOVCQRE-HUUCEWRRSA-N 2 2 262.401 2.142 20 30 CEEDLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329702878 376999027 /nfs/dbraw/zinc/99/90/27/376999027.db2.gz IJYFSVLUSIYDNE-JSGCOSHPSA-N 2 2 288.395 2.052 20 30 CEEDLP Cc1ccc2[nH+]cc(C[NH2+]CC3(CC#N)CC3)n2c1 ZINC000430060578 377526064 /nfs/dbraw/zinc/52/60/64/377526064.db2.gz OFAPTTHFKGPFSN-UHFFFAOYSA-N 2 2 254.337 2.426 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(C)n1 ZINC000294544565 377996599 /nfs/dbraw/zinc/99/65/99/377996599.db2.gz ATWQXGSXOLXPNA-LLVKDONJSA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1csc(C)n1 ZINC000294544565 377996601 /nfs/dbraw/zinc/99/66/01/377996601.db2.gz ATWQXGSXOLXPNA-LLVKDONJSA-N 2 2 251.399 2.057 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000556085918 380868366 /nfs/dbraw/zinc/86/83/66/380868366.db2.gz YCWYZAQCLMFZJC-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000556085918 380868374 /nfs/dbraw/zinc/86/83/74/380868374.db2.gz YCWYZAQCLMFZJC-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752925 220303965 /nfs/dbraw/zinc/30/39/65/220303965.db2.gz NHBIOULRXZIORB-STQMWFEESA-N 2 2 261.369 2.456 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752925 220303968 /nfs/dbraw/zinc/30/39/68/220303968.db2.gz NHBIOULRXZIORB-STQMWFEESA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752925 220303972 /nfs/dbraw/zinc/30/39/72/220303972.db2.gz NHBIOULRXZIORB-STQMWFEESA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752925 220303977 /nfs/dbraw/zinc/30/39/77/220303977.db2.gz NHBIOULRXZIORB-STQMWFEESA-N 2 2 261.369 2.456 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000281606486 195305313 /nfs/dbraw/zinc/30/53/13/195305313.db2.gz GIDSAXLSIVKBNA-MLGOLLRUSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000281606486 195305315 /nfs/dbraw/zinc/30/53/15/195305315.db2.gz GIDSAXLSIVKBNA-MLGOLLRUSA-N 2 2 285.391 2.139 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)N1CCCC1 ZINC000103337546 394713984 /nfs/dbraw/zinc/71/39/84/394713984.db2.gz HHAIDYNQXOHFSQ-LBPRGKRZSA-N 2 2 280.441 2.022 20 30 CEEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CCCC1 ZINC000103337548 394714456 /nfs/dbraw/zinc/71/44/56/394714456.db2.gz HHAIDYNQXOHFSQ-GFCCVEGCSA-N 2 2 280.441 2.022 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000360168151 394791377 /nfs/dbraw/zinc/79/13/77/394791377.db2.gz BSCYTYBWVPVWAO-UHFFFAOYSA-N 3 2 265.445 2.101 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000152941422 394999477 /nfs/dbraw/zinc/99/94/77/394999477.db2.gz QVZFJJFBOKZKIL-HOCLYGCPSA-N 3 2 265.445 2.099 20 30 CEEDLP Cc1cc(NCC[N@@H+]2CCc3sccc3C2)c(C#N)c[nH+]1 ZINC000425216831 395051752 /nfs/dbraw/zinc/05/17/52/395051752.db2.gz SISIAXBVPOHZFU-UHFFFAOYSA-N 2 2 298.415 2.215 20 30 CEEDLP Cc1cc(NCC[N@H+]2CCc3sccc3C2)c(C#N)c[nH+]1 ZINC000425216831 395051756 /nfs/dbraw/zinc/05/17/56/395051756.db2.gz SISIAXBVPOHZFU-UHFFFAOYSA-N 2 2 298.415 2.215 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccccc1 ZINC000373819179 395066148 /nfs/dbraw/zinc/06/61/48/395066148.db2.gz UYEIJJBZDQLVFV-GUDVDZBRSA-N 2 2 298.430 2.222 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccccc1 ZINC000373819179 395066152 /nfs/dbraw/zinc/06/61/52/395066152.db2.gz UYEIJJBZDQLVFV-GUDVDZBRSA-N 2 2 298.430 2.222 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000289911264 395090642 /nfs/dbraw/zinc/09/06/42/395090642.db2.gz XYJKYGZMCPXMMK-LJQANCHMSA-N 2 2 298.430 2.212 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000290487857 395105377 /nfs/dbraw/zinc/10/53/77/395105377.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000290487857 395105378 /nfs/dbraw/zinc/10/53/78/395105378.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000290487857 395105383 /nfs/dbraw/zinc/10/53/83/395105383.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000290487857 395105386 /nfs/dbraw/zinc/10/53/86/395105386.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 2 254.377 2.194 20 30 CEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353265122 395291585 /nfs/dbraw/zinc/29/15/85/395291585.db2.gz LRDUCUTXWKQXTE-KBXCAEBGSA-N 2 2 299.418 2.246 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000534579645 395463161 /nfs/dbraw/zinc/46/31/61/395463161.db2.gz ZFAMXVLCTQMYAN-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000534579645 395463163 /nfs/dbraw/zinc/46/31/63/395463163.db2.gz ZFAMXVLCTQMYAN-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443971170 395408538 /nfs/dbraw/zinc/40/85/38/395408538.db2.gz UESIYEUHXWPQPT-INIZCTEOSA-N 2 2 257.381 2.441 20 30 CEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443971170 395408540 /nfs/dbraw/zinc/40/85/40/395408540.db2.gz UESIYEUHXWPQPT-INIZCTEOSA-N 2 2 257.381 2.441 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000648445448 395910016 /nfs/dbraw/zinc/91/00/16/395910016.db2.gz HWSCEFNWXPTRJE-HUUCEWRRSA-N 2 2 252.402 2.184 20 30 CEEDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000181782039 400289725 /nfs/dbraw/zinc/28/97/25/400289725.db2.gz YLVKUDJMBHMPRA-GJZGRUSLSA-N 2 2 287.407 2.177 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCOC)C1 ZINC000651699367 401374104 /nfs/dbraw/zinc/37/41/04/401374104.db2.gz RPQTXBRLIXVYBQ-BZUAXINKSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000651699367 401374105 /nfs/dbraw/zinc/37/41/05/401374105.db2.gz RPQTXBRLIXVYBQ-BZUAXINKSA-N 2 2 266.429 2.432 20 30 CEEDLP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc1C#N ZINC000190942987 153150361 /nfs/dbraw/zinc/15/03/61/153150361.db2.gz IXERGHJAVFIUTI-UHFFFAOYSA-N 2 2 283.379 2.274 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000657875447 415109862 /nfs/dbraw/zinc/10/98/62/415109862.db2.gz KBECMLKDQSPDTD-CYBMUJFWSA-N 2 2 252.402 2.184 20 30 CEEDLP C[NH+](C)[C@@]1(C[NH2+]CC(C)(C)CCC#N)CCSC1 ZINC000344765448 225159558 /nfs/dbraw/zinc/15/95/58/225159558.db2.gz HGXIWIOLTRLJKT-CQSZACIVSA-N 2 2 269.458 2.343 20 30 CEEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000356057804 228103833 /nfs/dbraw/zinc/10/38/33/228103833.db2.gz OLEZCWKKHKZURP-SNVBAGLBSA-N 2 2 273.365 2.117 20 30 CEEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000356057804 228103836 /nfs/dbraw/zinc/10/38/36/228103836.db2.gz OLEZCWKKHKZURP-SNVBAGLBSA-N 2 2 273.365 2.117 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000365199596 262283737 /nfs/dbraw/zinc/28/37/37/262283737.db2.gz UJEKTMNQSGTRHH-UONOGXRCSA-N 2 2 272.396 2.434 20 30 CEEDLP CCc1cccc(CC)c1NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264075152 262865054 /nfs/dbraw/zinc/86/50/54/262865054.db2.gz HBHSMQGBCNAQMJ-UHFFFAOYSA-N 2 2 285.395 2.435 20 30 CEEDLP CC(C)(C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264078054 262865514 /nfs/dbraw/zinc/86/55/14/262865514.db2.gz GJBDLIIMKGGOQK-UHFFFAOYSA-N 2 2 271.368 2.075 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415050537 263255580 /nfs/dbraw/zinc/25/55/80/263255580.db2.gz YYMQZLDHFIYDDW-OAHLLOKOSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000341279877 263330033 /nfs/dbraw/zinc/33/00/33/263330033.db2.gz SXSBBZRHWBIMBI-RYQLBKOJSA-N 2 2 288.435 2.281 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341279877 263330035 /nfs/dbraw/zinc/33/00/35/263330035.db2.gz SXSBBZRHWBIMBI-RYQLBKOJSA-N 2 2 288.435 2.281 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341286908 263330081 /nfs/dbraw/zinc/33/00/81/263330081.db2.gz YIGDGPWPHOYLOA-OAHLLOKOSA-N 2 2 271.364 2.147 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186710516 273486814 /nfs/dbraw/zinc/48/68/14/273486814.db2.gz SJDPJVVBZGVRIN-HIFRSBDPSA-N 2 2 271.364 2.460 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353554361 277857551 /nfs/dbraw/zinc/85/75/51/277857551.db2.gz WHRLQDQCDGXAAT-HNNXBMFYSA-N 2 2 294.439 2.348 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152280203 289083881 /nfs/dbraw/zinc/08/38/81/289083881.db2.gz UXODJUCYAPJDRD-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152280203 289083884 /nfs/dbraw/zinc/08/38/84/289083884.db2.gz UXODJUCYAPJDRD-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152280203 289083885 /nfs/dbraw/zinc/08/38/85/289083885.db2.gz UXODJUCYAPJDRD-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152280203 289083887 /nfs/dbraw/zinc/08/38/87/289083887.db2.gz UXODJUCYAPJDRD-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414923072 328267791 /nfs/dbraw/zinc/26/77/91/328267791.db2.gz GWOKVCDMHNOFFK-XJKSGUPXSA-N 2 2 260.381 2.339 20 30 CEEDLP C#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000378000628 329036716 /nfs/dbraw/zinc/03/67/16/329036716.db2.gz JQFMCLRZDRGNKK-DOTOQJQBSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000378000628 329036719 /nfs/dbraw/zinc/03/67/19/329036719.db2.gz JQFMCLRZDRGNKK-DOTOQJQBSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000378000628 329036720 /nfs/dbraw/zinc/03/67/20/329036720.db2.gz JQFMCLRZDRGNKK-DOTOQJQBSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000378000628 329036721 /nfs/dbraw/zinc/03/67/21/329036721.db2.gz JQFMCLRZDRGNKK-DOTOQJQBSA-N 2 2 256.393 2.462 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185752896 329330972 /nfs/dbraw/zinc/33/09/72/329330972.db2.gz RSDKXKDZFQIFAT-XHSDSOJGSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185752896 329330973 /nfs/dbraw/zinc/33/09/73/329330973.db2.gz RSDKXKDZFQIFAT-XHSDSOJGSA-N 2 2 279.428 2.015 20 30 CEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422994472 330163215 /nfs/dbraw/zinc/16/32/15/330163215.db2.gz HUGTWPZWBDYCJJ-DJIMGWMZSA-N 2 2 287.407 2.388 20 30 CEEDLP C#CCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090399266 330392326 /nfs/dbraw/zinc/39/23/26/330392326.db2.gz LBNDHIRPJSMAIY-UHFFFAOYSA-N 2 2 271.408 2.439 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442788477 330783554 /nfs/dbraw/zinc/78/35/54/330783554.db2.gz FRTOCIUZLLPIGG-KBPBESRZSA-N 2 2 279.428 2.158 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1ccccn1 ZINC000491326364 332190298 /nfs/dbraw/zinc/19/02/98/332190298.db2.gz MJYXTTQSSCWAKK-OAHLLOKOSA-N 2 2 259.397 2.468 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1ccccn1 ZINC000491326364 332190299 /nfs/dbraw/zinc/19/02/99/332190299.db2.gz MJYXTTQSSCWAKK-OAHLLOKOSA-N 2 2 259.397 2.468 20 30 CEEDLP C#C[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000491525794 332230308 /nfs/dbraw/zinc/23/03/08/332230308.db2.gz VFLFWSKUKKXLNJ-HZPDHXFCSA-N 2 2 299.418 2.261 20 30 CEEDLP CC(C)[NH+]1CCN(CCC[N@@H+](CC#N)C2CCCC2)CC1 ZINC000192744258 333238863 /nfs/dbraw/zinc/23/88/63/333238863.db2.gz SYGOIECYYYRAKK-UHFFFAOYSA-N 2 2 292.471 2.171 20 30 CEEDLP CN(C)c1[nH+]cc(C[NH+]2CCC(CCC#N)CC2)n1C ZINC000579475285 335768638 /nfs/dbraw/zinc/76/86/38/335768638.db2.gz DMPVWUYZCLYVEQ-UHFFFAOYSA-N 2 2 275.400 2.002 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353678168 526873460 /nfs/dbraw/zinc/87/34/60/526873460.db2.gz ZWTJKDOIZZNUOU-NVXWUHKLSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353678168 526873467 /nfs/dbraw/zinc/87/34/67/526873467.db2.gz ZWTJKDOIZZNUOU-NVXWUHKLSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353678170 526873967 /nfs/dbraw/zinc/87/39/67/526873967.db2.gz ZWTJKDOIZZNUOU-RDJZCZTQSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353678170 526873971 /nfs/dbraw/zinc/87/39/71/526873971.db2.gz ZWTJKDOIZZNUOU-RDJZCZTQSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCSCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352732692 527003721 /nfs/dbraw/zinc/00/37/21/527003721.db2.gz PGFZCCWEKARWOO-UHFFFAOYSA-N 2 2 271.455 2.214 20 30 CEEDLP C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314725 651063243 /nfs/dbraw/zinc/06/32/43/651063243.db2.gz SXIAGFAMJJOVLL-MRXNPFEDSA-N 2 2 290.407 2.298 20 30 CEEDLP C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314725 651063246 /nfs/dbraw/zinc/06/32/46/651063246.db2.gz SXIAGFAMJJOVLL-MRXNPFEDSA-N 2 2 290.407 2.298 20 30 CEEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969971869 613299994 /nfs/dbraw/zinc/29/99/94/613299994.db2.gz DXAFMYXIGAZYFO-GFCCVEGCSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915659 613734347 /nfs/dbraw/zinc/73/43/47/613734347.db2.gz QTOOCJBSGDIYAO-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915659 613734350 /nfs/dbraw/zinc/73/43/50/613734350.db2.gz QTOOCJBSGDIYAO-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540662 613754378 /nfs/dbraw/zinc/75/43/78/613754378.db2.gz WSUXGLPMDYVUIM-UONOGXRCSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540662 613754380 /nfs/dbraw/zinc/75/43/80/613754380.db2.gz WSUXGLPMDYVUIM-UONOGXRCSA-N 2 2 298.390 2.103 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892491683 625658454 /nfs/dbraw/zinc/65/84/54/625658454.db2.gz FBEATSZCTRPLEJ-UHFFFAOYSA-N 2 2 254.377 2.255 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@H]1CCCO1 ZINC000926209985 623907960 /nfs/dbraw/zinc/90/79/60/623907960.db2.gz JHNJBTZPNNURRV-IAGOWNOFSA-N 2 2 278.440 2.267 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000328149015 627860249 /nfs/dbraw/zinc/86/02/49/627860249.db2.gz DULGERTXLCMUOY-HNNXBMFYSA-N 2 2 257.381 2.004 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000328149015 627860254 /nfs/dbraw/zinc/86/02/54/627860254.db2.gz DULGERTXLCMUOY-HNNXBMFYSA-N 2 2 257.381 2.004 20 30 CEEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925531748 628133502 /nfs/dbraw/zinc/13/35/02/628133502.db2.gz NEUQIPBZCYFNJI-GJZGRUSLSA-N 2 2 252.402 2.186 20 30 CEEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925531748 628133505 /nfs/dbraw/zinc/13/35/05/628133505.db2.gz NEUQIPBZCYFNJI-GJZGRUSLSA-N 2 2 252.402 2.186 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471977 634687788 /nfs/dbraw/zinc/68/77/88/634687788.db2.gz VZAIEFOWBZMXBI-RKTXRCNFSA-N 2 2 267.376 2.418 20 30 CEEDLP CCC[C@]1(C)CCCN(C(NCC[NH+]2CCC2)=[NH+]C)C1 ZINC000261913411 629313727 /nfs/dbraw/zinc/31/37/27/629313727.db2.gz JPACCPQFOIJDCO-MRXNPFEDSA-N 2 2 280.460 2.170 20 30 CEEDLP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000895808360 630357147 /nfs/dbraw/zinc/35/71/47/630357147.db2.gz GSNDKWINILGBSZ-UHFFFAOYSA-N 2 2 270.380 2.172 20 30 CEEDLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505007 630585151 /nfs/dbraw/zinc/58/51/51/630585151.db2.gz JLAGZAZIYQYTAW-MRXNPFEDSA-N 2 2 287.407 2.363 20 30 CEEDLP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505007 630585152 /nfs/dbraw/zinc/58/51/52/630585152.db2.gz JLAGZAZIYQYTAW-MRXNPFEDSA-N 2 2 287.407 2.363 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986279431 631224737 /nfs/dbraw/zinc/22/47/37/631224737.db2.gz KNQDUYDOBHNJFA-HIFRSBDPSA-N 2 2 298.390 2.021 20 30 CEEDLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000809637229 632117980 /nfs/dbraw/zinc/11/79/80/632117980.db2.gz DQCFMDIYKUJDHH-UHFFFAOYSA-N 2 2 278.425 2.330 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817918695 633778043 /nfs/dbraw/zinc/77/80/43/633778043.db2.gz MWSUENVFMBLQHJ-CZUORRHYSA-N 2 2 273.380 2.209 20 30 CEEDLP C=CCCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817932592 633785233 /nfs/dbraw/zinc/78/52/33/633785233.db2.gz UZEQKQAGTVUVOG-JKSUJKDBSA-N 2 2 266.429 2.480 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000817941998 633789487 /nfs/dbraw/zinc/78/94/87/633789487.db2.gz VLZVZIPLMHETJK-UKRRQHHQSA-N 2 2 258.365 2.101 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000817983936 633827211 /nfs/dbraw/zinc/82/72/11/633827211.db2.gz MABCTPNAVJSCFM-HOCLYGCPSA-N 2 2 272.392 2.491 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000817983935 633827563 /nfs/dbraw/zinc/82/75/63/633827563.db2.gz MABCTPNAVJSCFM-GOEBONIOSA-N 2 2 272.392 2.491 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819023996 634043612 /nfs/dbraw/zinc/04/36/12/634043612.db2.gz MAGMBHNPRGOLPE-INIZCTEOSA-N 2 2 278.371 2.099 20 30 CEEDLP CCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915957884 640708422 /nfs/dbraw/zinc/70/84/22/640708422.db2.gz AHQZUQAQNRDNLP-UHFFFAOYSA-N 2 2 281.787 2.462 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000848912790 642187448 /nfs/dbraw/zinc/18/74/48/642187448.db2.gz VXZLGFAANUKDPP-HOTGVXAUSA-N 2 2 278.440 2.267 20 30 CEEDLP CNC(NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)=[NH+]C ZINC000849029051 642241944 /nfs/dbraw/zinc/24/19/44/642241944.db2.gz YWICVXAQAAZYED-MRXNPFEDSA-N 2 2 290.455 2.283 20 30 CEEDLP C#CC[N@H+](C)CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000858556052 645200856 /nfs/dbraw/zinc/20/08/56/645200856.db2.gz VCJWFCQFIUZQAF-UHFFFAOYSA-N 2 2 293.374 2.250 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000858556052 645200862 /nfs/dbraw/zinc/20/08/62/645200862.db2.gz VCJWFCQFIUZQAF-UHFFFAOYSA-N 2 2 293.374 2.250 20 30 CEEDLP C#CC[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862447725 646466099 /nfs/dbraw/zinc/46/60/99/646466099.db2.gz PKXNYYZWEVLQPQ-GFCCVEGCSA-N 2 2 263.410 2.050 20 30 CEEDLP C#CC[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862447725 646466101 /nfs/dbraw/zinc/46/61/01/646466101.db2.gz PKXNYYZWEVLQPQ-GFCCVEGCSA-N 2 2 263.410 2.050 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000863544684 646752666 /nfs/dbraw/zinc/75/26/66/646752666.db2.gz BIMFEJSSUAQOOY-DZKIICNBSA-N 2 2 272.392 2.490 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCO1 ZINC000792287990 648635687 /nfs/dbraw/zinc/63/56/87/648635687.db2.gz XZPJJHSTXUHNDG-QZTJIDSGSA-N 2 2 295.386 2.451 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCCOC2)CC1 ZINC000872033765 649247397 /nfs/dbraw/zinc/24/73/97/649247397.db2.gz JEPQFNTZWIAXBM-GDBMZVCRSA-N 2 2 266.429 2.432 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135408 651388802 /nfs/dbraw/zinc/38/88/02/651388802.db2.gz VJRMJDZKHMNYLF-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135408 651388803 /nfs/dbraw/zinc/38/88/03/651388803.db2.gz VJRMJDZKHMNYLF-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000880135408 651388804 /nfs/dbraw/zinc/38/88/04/651388804.db2.gz VJRMJDZKHMNYLF-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000880135408 651388805 /nfs/dbraw/zinc/38/88/05/651388805.db2.gz VJRMJDZKHMNYLF-MSOLQXFVSA-N 2 2 299.418 2.496 20 30 CEEDLP C[C@H](C#N)OCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569867 651462083 /nfs/dbraw/zinc/46/20/83/651462083.db2.gz QZFHVSRKYLZTQJ-GDBMZVCRSA-N 2 2 284.363 2.143 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000883131382 652373095 /nfs/dbraw/zinc/37/30/95/652373095.db2.gz ZQSNTVZSADZFOU-CQSZACIVSA-N 2 2 293.436 2.039 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000883131382 652373098 /nfs/dbraw/zinc/37/30/98/652373098.db2.gz ZQSNTVZSADZFOU-CQSZACIVSA-N 2 2 293.436 2.039 20 30 CEEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904849 804512555 /nfs/dbraw/zinc/51/25/55/804512555.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038904849 804512557 /nfs/dbraw/zinc/51/25/57/804512557.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038904849 804512564 /nfs/dbraw/zinc/51/25/64/804512564.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 2 2 293.455 2.018 20 30 CEEDLP C[NH+]1C[C@]2(C)C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC000706252326 809811692 /nfs/dbraw/zinc/81/16/92/809811692.db2.gz DXNIGKUJABTAMY-IAGOWNOFSA-N 2 2 269.392 2.332 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000381403937 810410683 /nfs/dbraw/zinc/41/06/83/810410683.db2.gz OYRBQOQOZRJVOA-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000381403937 810410686 /nfs/dbraw/zinc/41/06/86/810410686.db2.gz OYRBQOQOZRJVOA-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP CC[NH+]1CCC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001169245171 811459726 /nfs/dbraw/zinc/45/97/26/811459726.db2.gz AWSZSVSVUPVLSK-UHFFFAOYSA-N 2 2 269.392 2.401 20 30 CEEDLP CC[NH+]1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001169245171 811459732 /nfs/dbraw/zinc/45/97/32/811459732.db2.gz AWSZSVSVUPVLSK-UHFFFAOYSA-N 2 2 269.392 2.401 20 30 CEEDLP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172488313 815450446 /nfs/dbraw/zinc/45/04/46/815450446.db2.gz SQCAVDVUVUQHOH-CQSZACIVSA-N 2 2 272.396 2.414 20 30 CEEDLP Cc1cc(N2CC[NH+]([C@@H](C)CCCC#N)CC2)nc(C)[nH+]1 ZINC001172507132 815457755 /nfs/dbraw/zinc/45/77/55/815457755.db2.gz PQIKGRMBVQGBOE-AWEZNQCLSA-N 2 2 287.411 2.298 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893623 812518476 /nfs/dbraw/zinc/51/84/76/812518476.db2.gz WLUYFEOOOYSZID-ZIAGYGMSSA-N 2 2 292.427 2.189 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893623 812518480 /nfs/dbraw/zinc/51/84/80/812518480.db2.gz WLUYFEOOOYSZID-ZIAGYGMSSA-N 2 2 292.427 2.189 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546179 813286755 /nfs/dbraw/zinc/28/67/55/813286755.db2.gz XCFFJMOJBBNWQY-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546179 813286763 /nfs/dbraw/zinc/28/67/63/813286763.db2.gz XCFFJMOJBBNWQY-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601329 815758640 /nfs/dbraw/zinc/75/86/40/815758640.db2.gz QSPGQXUWNUOODQ-YHNBSYBMSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601329 815758645 /nfs/dbraw/zinc/75/86/45/815758645.db2.gz QSPGQXUWNUOODQ-YHNBSYBMSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601329 815758650 /nfs/dbraw/zinc/75/86/50/815758650.db2.gz QSPGQXUWNUOODQ-YHNBSYBMSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601329 815758655 /nfs/dbraw/zinc/75/86/55/815758655.db2.gz QSPGQXUWNUOODQ-YHNBSYBMSA-N 2 2 261.413 2.485 20 30 CEEDLP C=CCCCCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682733 816063902 /nfs/dbraw/zinc/06/39/02/816063902.db2.gz LVXSGCFYMCPCLH-UHFFFAOYSA-N 2 2 292.427 2.103 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175629454 816246757 /nfs/dbraw/zinc/24/67/57/816246757.db2.gz JXLSEQFOSHUFDB-KGLIPLIRSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175629454 816246764 /nfs/dbraw/zinc/24/67/64/816246764.db2.gz JXLSEQFOSHUFDB-KGLIPLIRSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000034996637 361803329 /nfs/dbraw/zinc/80/33/29/361803329.db2.gz ACBISPGGEITHGP-UHFFFAOYSA-N 2 2 260.381 2.435 20 30 CEEDLP CCNC(NC[C@H](c1ccco1)[NH+](CC)CC)=[NH+]CC ZINC000066243818 343709846 /nfs/dbraw/zinc/70/98/46/343709846.db2.gz UKWSMTPKIOJIJH-CYBMUJFWSA-N 2 2 280.416 2.238 20 30 CEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)n1 ZINC000602477108 347051034 /nfs/dbraw/zinc/05/10/34/347051034.db2.gz QDWKOZCYMOOKMZ-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)n1 ZINC000602477108 347051035 /nfs/dbraw/zinc/05/10/35/347051035.db2.gz QDWKOZCYMOOKMZ-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)n1 ZINC000602477108 347051037 /nfs/dbraw/zinc/05/10/37/347051037.db2.gz QDWKOZCYMOOKMZ-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)n1 ZINC000602477108 347051040 /nfs/dbraw/zinc/05/10/40/347051040.db2.gz QDWKOZCYMOOKMZ-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C=CCC[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320320407 344751946 /nfs/dbraw/zinc/75/19/46/344751946.db2.gz XCQRLYCOLAFOKH-OAHLLOKOSA-N 2 2 271.364 2.289 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602545446 347071998 /nfs/dbraw/zinc/07/19/98/347071998.db2.gz OBAXPDQYFZVTRB-HNNXBMFYSA-N 2 2 274.412 2.409 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]1 ZINC000591570757 345264724 /nfs/dbraw/zinc/26/47/24/345264724.db2.gz JIILSEJPIQHCMY-GJZGRUSLSA-N 2 2 261.344 2.318 20 30 CEEDLP Cc1[nH+]c2cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc2n1C ZINC000594438913 345630465 /nfs/dbraw/zinc/63/04/65/345630465.db2.gz MWRNHPLBUXRDMC-ZDUSSCGKSA-N 2 2 299.378 2.232 20 30 CEEDLP C[C@@]1(C#N)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000595842867 345895887 /nfs/dbraw/zinc/89/58/87/345895887.db2.gz VTJNYVQMFQLSKE-SFHVURJKSA-N 2 2 299.418 2.254 20 30 CEEDLP C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000595842867 345895893 /nfs/dbraw/zinc/89/58/93/345895893.db2.gz VTJNYVQMFQLSKE-SFHVURJKSA-N 2 2 299.418 2.254 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sccc1OC ZINC000295014119 539498329 /nfs/dbraw/zinc/49/83/29/539498329.db2.gz MYKAMGRKLHTKCE-LBPRGKRZSA-N 2 2 266.410 2.362 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sccc1OC ZINC000295014119 539498334 /nfs/dbraw/zinc/49/83/34/539498334.db2.gz MYKAMGRKLHTKCE-LBPRGKRZSA-N 2 2 266.410 2.362 20 30 CEEDLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(C#N)cc2)n1C ZINC000596978768 346111980 /nfs/dbraw/zinc/11/19/80/346111980.db2.gz CBQNYGDRIKUECA-UHFFFAOYSA-N 2 2 254.337 2.232 20 30 CEEDLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1C ZINC000596978768 346111982 /nfs/dbraw/zinc/11/19/82/346111982.db2.gz CBQNYGDRIKUECA-UHFFFAOYSA-N 2 2 254.337 2.232 20 30 CEEDLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(C#N)c2)n1C ZINC000596978776 346112103 /nfs/dbraw/zinc/11/21/03/346112103.db2.gz CHZRMSPMHSIFQM-UHFFFAOYSA-N 2 2 254.337 2.232 20 30 CEEDLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(C#N)c2)n1C ZINC000596978776 346112105 /nfs/dbraw/zinc/11/21/05/346112105.db2.gz CHZRMSPMHSIFQM-UHFFFAOYSA-N 2 2 254.337 2.232 20 30 CEEDLP N#CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000597154921 346137125 /nfs/dbraw/zinc/13/71/25/346137125.db2.gz SSGGCBIEAYQPQJ-UHFFFAOYSA-N 2 2 267.336 2.051 20 30 CEEDLP CC[N@H+](CC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000600718405 346677940 /nfs/dbraw/zinc/67/79/40/346677940.db2.gz GVBPOHJUTVQCFZ-UHFFFAOYSA-N 2 2 271.286 2.358 20 30 CEEDLP CC[N@@H+](CC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000600718405 346677941 /nfs/dbraw/zinc/67/79/41/346677941.db2.gz GVBPOHJUTVQCFZ-UHFFFAOYSA-N 2 2 271.286 2.358 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000600752834 346684543 /nfs/dbraw/zinc/68/45/43/346684543.db2.gz ZQSAJKGPPAUKCE-JKSUJKDBSA-N 2 2 291.439 2.038 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000600752834 346684545 /nfs/dbraw/zinc/68/45/45/346684545.db2.gz ZQSAJKGPPAUKCE-JKSUJKDBSA-N 2 2 291.439 2.038 20 30 CEEDLP C[NH+](C)CC1(C[NH2+]Cc2cccc(C#N)n2)CCCC1 ZINC000602615967 347104856 /nfs/dbraw/zinc/10/48/56/347104856.db2.gz JRZSOSKUINRMSS-UHFFFAOYSA-N 2 2 272.396 2.165 20 30 CEEDLP Cc1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1C#N ZINC000602752424 347185169 /nfs/dbraw/zinc/18/51/69/347185169.db2.gz PUSCXJXNHQPGKV-QGZVFWFLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1C#N ZINC000602752424 347185172 /nfs/dbraw/zinc/18/51/72/347185172.db2.gz PUSCXJXNHQPGKV-QGZVFWFLSA-N 2 2 269.392 2.393 20 30 CEEDLP C=C(C)C[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000362298395 539709595 /nfs/dbraw/zinc/70/95/95/539709595.db2.gz VFJZRGKIKVQOCW-HNNXBMFYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)C[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000362298395 539709601 /nfs/dbraw/zinc/70/96/01/539709601.db2.gz VFJZRGKIKVQOCW-HNNXBMFYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394821 351349148 /nfs/dbraw/zinc/34/91/48/351349148.db2.gz MJBZSXPIUJSBOF-HIFRSBDPSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629396706 351351017 /nfs/dbraw/zinc/35/10/17/351351017.db2.gz SRXKBXUCFLXXRU-ZFWWWQNUSA-N 2 2 260.381 2.482 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000335495101 283198625 /nfs/dbraw/zinc/19/86/25/283198625.db2.gz IVTRLPHENDICEV-GDBMZVCRSA-N 2 2 255.365 2.277 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176965231 189017324 /nfs/dbraw/zinc/01/73/24/189017324.db2.gz AKHWGWDLBVJXLM-UHFFFAOYSA-N 2 2 261.394 2.360 20 30 CEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)o1 ZINC000093660005 364210996 /nfs/dbraw/zinc/21/09/96/364210996.db2.gz GILRDRIWSJTRLR-ZDUSSCGKSA-N 2 2 261.369 2.457 20 30 CEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)o1 ZINC000093660005 364211006 /nfs/dbraw/zinc/21/10/06/364211006.db2.gz GILRDRIWSJTRLR-ZDUSSCGKSA-N 2 2 261.369 2.457 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)o1 ZINC000093660005 364211018 /nfs/dbraw/zinc/21/10/18/364211018.db2.gz GILRDRIWSJTRLR-ZDUSSCGKSA-N 2 2 261.369 2.457 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)o1 ZINC000093660005 364211021 /nfs/dbraw/zinc/21/10/21/364211021.db2.gz GILRDRIWSJTRLR-ZDUSSCGKSA-N 2 2 261.369 2.457 20 30 CEEDLP CCCCNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000104176234 364682222 /nfs/dbraw/zinc/68/22/22/364682222.db2.gz FADWNNVKGBTMDX-UHFFFAOYSA-N 2 2 271.368 2.077 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000113331900 364889707 /nfs/dbraw/zinc/88/97/07/364889707.db2.gz UTCMFOAWUJCRKS-INIZCTEOSA-N 2 2 295.386 2.308 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000113328593 364888780 /nfs/dbraw/zinc/88/87/80/364888780.db2.gz IUVHZJRZEPMJGZ-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000113328593 364888782 /nfs/dbraw/zinc/88/87/82/364888782.db2.gz IUVHZJRZEPMJGZ-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128632 /nfs/dbraw/zinc/12/86/32/367128632.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128638 /nfs/dbraw/zinc/12/86/38/367128638.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128644 /nfs/dbraw/zinc/12/86/44/367128644.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128650 /nfs/dbraw/zinc/12/86/50/367128650.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724225 370863853 /nfs/dbraw/zinc/86/38/53/370863853.db2.gz INNKDRAZNNRSFC-WFASDCNBSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724225 370863857 /nfs/dbraw/zinc/86/38/57/370863857.db2.gz INNKDRAZNNRSFC-WFASDCNBSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724225 370863861 /nfs/dbraw/zinc/86/38/61/370863861.db2.gz INNKDRAZNNRSFC-WFASDCNBSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724225 370863864 /nfs/dbraw/zinc/86/38/64/370863864.db2.gz INNKDRAZNNRSFC-WFASDCNBSA-N 2 2 261.369 2.313 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000181396491 368450564 /nfs/dbraw/zinc/45/05/64/368450564.db2.gz PMBUGSRYPNQRRS-GOSISDBHSA-N 2 2 299.418 2.291 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186714398 369026581 /nfs/dbraw/zinc/02/65/81/369026581.db2.gz BGIGFKVRBOBWFI-BHYGNILZSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186714398 369026586 /nfs/dbraw/zinc/02/65/86/369026586.db2.gz BGIGFKVRBOBWFI-BHYGNILZSA-N 2 2 274.408 2.176 20 30 CEEDLP CCC[N@H+](CC)C[C@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000353073239 370009002 /nfs/dbraw/zinc/00/90/02/370009002.db2.gz PBEFOSUCYAOJEA-AWEZNQCLSA-N 2 2 299.422 2.416 20 30 CEEDLP CCC[N@@H+](CC)C[C@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000353073239 370009004 /nfs/dbraw/zinc/00/90/04/370009004.db2.gz PBEFOSUCYAOJEA-AWEZNQCLSA-N 2 2 299.422 2.416 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)ns2)CC1 ZINC000638525275 370591783 /nfs/dbraw/zinc/59/17/83/370591783.db2.gz WMSWGAJVMRHJPC-UHFFFAOYSA-N 2 2 281.425 2.282 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCOC2)CC1 ZINC000361209660 371715976 /nfs/dbraw/zinc/71/59/76/371715976.db2.gz UEIHNWRGRKHFIY-DZGCQCFKSA-N 2 2 252.402 2.042 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264122915 371973614 /nfs/dbraw/zinc/97/36/14/371973614.db2.gz VOIPGLZXEUPNQB-STQMWFEESA-N 2 2 280.416 2.365 20 30 CEEDLP C=C(Br)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269626290 372511276 /nfs/dbraw/zinc/51/12/76/372511276.db2.gz JSXZLAPBYKPQFC-SNVBAGLBSA-N 2 2 270.174 2.498 20 30 CEEDLP C=C(Br)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269626290 372511278 /nfs/dbraw/zinc/51/12/78/372511278.db2.gz JSXZLAPBYKPQFC-SNVBAGLBSA-N 2 2 270.174 2.498 20 30 CEEDLP C=CCOCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000643479632 373146164 /nfs/dbraw/zinc/14/61/64/373146164.db2.gz XKWLUIJWCXJXHR-DLBZAZTESA-N 2 2 290.407 2.281 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc(C#N)cc1)CC2 ZINC000369385935 373403358 /nfs/dbraw/zinc/40/33/58/373403358.db2.gz ZIINOOHEBVLMBD-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc(C#N)cc1)CC2 ZINC000369385935 373403370 /nfs/dbraw/zinc/40/33/70/373403370.db2.gz ZIINOOHEBVLMBD-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP N#CCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000369708154 373495444 /nfs/dbraw/zinc/49/54/44/373495444.db2.gz ZPHWWAZAFAILTC-UHFFFAOYSA-N 2 2 270.380 2.334 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350288 376742604 /nfs/dbraw/zinc/74/26/04/376742604.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350288 376742611 /nfs/dbraw/zinc/74/26/11/376742611.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000290350288 376742618 /nfs/dbraw/zinc/74/26/18/376742618.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000290350288 376742628 /nfs/dbraw/zinc/74/26/28/376742628.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442788482 377996198 /nfs/dbraw/zinc/99/61/98/377996198.db2.gz FRTOCIUZLLPIGG-ZIAGYGMSSA-N 2 2 279.428 2.158 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000450500083 378453191 /nfs/dbraw/zinc/45/31/91/378453191.db2.gz LSFBIFMSBMDTHE-AWEZNQCLSA-N 2 2 257.337 2.229 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000450500083 378453197 /nfs/dbraw/zinc/45/31/97/378453197.db2.gz LSFBIFMSBMDTHE-AWEZNQCLSA-N 2 2 257.337 2.229 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450632623 378509453 /nfs/dbraw/zinc/50/94/53/378509453.db2.gz QSOVHQUVGCZZNG-CQSZACIVSA-N 2 2 272.396 2.368 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450632623 378509463 /nfs/dbraw/zinc/50/94/63/378509463.db2.gz QSOVHQUVGCZZNG-CQSZACIVSA-N 2 2 272.396 2.368 20 30 CEEDLP N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516494322 379287304 /nfs/dbraw/zinc/28/73/04/379287304.db2.gz HCTJFPMGBPHNEE-GZBFAFLISA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516494322 379287315 /nfs/dbraw/zinc/28/73/15/379287315.db2.gz HCTJFPMGBPHNEE-GZBFAFLISA-N 2 2 257.337 2.227 20 30 CEEDLP CC(C)(C#N)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119973732 262263318 /nfs/dbraw/zinc/26/33/18/262263318.db2.gz OVXGVPVPGOGIPB-CQSZACIVSA-N 2 2 259.353 2.475 20 30 CEEDLP CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119973732 262263320 /nfs/dbraw/zinc/26/33/20/262263320.db2.gz OVXGVPVPGOGIPB-CQSZACIVSA-N 2 2 259.353 2.475 20 30 CEEDLP C[NH+]=C(NCC1CCC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977937 394611611 /nfs/dbraw/zinc/61/16/11/394611611.db2.gz OEJHRTRCICFLMK-HIFRSBDPSA-N 2 2 289.427 2.142 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000289105790 395070175 /nfs/dbraw/zinc/07/01/75/395070175.db2.gz CMYTWRFLHFPTJZ-KRWDZBQOSA-N 2 2 271.408 2.293 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000290293820 395098418 /nfs/dbraw/zinc/09/84/18/395098418.db2.gz HFOJRZHGVRLOFA-CXAGYDPISA-N 2 2 254.377 2.240 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000290293820 395098422 /nfs/dbraw/zinc/09/84/22/395098422.db2.gz HFOJRZHGVRLOFA-CXAGYDPISA-N 2 2 254.377 2.240 20 30 CEEDLP C#CCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372570865 395043620 /nfs/dbraw/zinc/04/36/20/395043620.db2.gz FXHLKTOEXADMSF-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP C#CCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372570865 395043624 /nfs/dbraw/zinc/04/36/24/395043624.db2.gz FXHLKTOEXADMSF-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP C#CCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372570865 395043625 /nfs/dbraw/zinc/04/36/25/395043625.db2.gz FXHLKTOEXADMSF-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP C#CCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372570865 395043628 /nfs/dbraw/zinc/04/36/28/395043628.db2.gz FXHLKTOEXADMSF-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352795373 395268268 /nfs/dbraw/zinc/26/82/68/395268268.db2.gz JDXSTTAVIWMOMI-UHFFFAOYSA-N 2 2 258.350 2.051 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C#N)c1 ZINC000530217008 395455130 /nfs/dbraw/zinc/45/51/30/395455130.db2.gz DXWIXSBDSGWFOV-SWLSCSKDSA-N 2 2 255.365 2.493 20 30 CEEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000181782254 400289435 /nfs/dbraw/zinc/28/94/35/400289435.db2.gz WFSGSBIIZFDFNW-HUUCEWRRSA-N 2 2 287.407 2.177 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000651699370 401373766 /nfs/dbraw/zinc/37/37/66/401373766.db2.gz RPQTXBRLIXVYBQ-PMPSAXMXSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000651699370 401373770 /nfs/dbraw/zinc/37/37/70/401373770.db2.gz RPQTXBRLIXVYBQ-PMPSAXMXSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294986 415301352 /nfs/dbraw/zinc/30/13/52/415301352.db2.gz QJULQJSDAROOAS-OFQRWUPVSA-N 2 2 266.429 2.430 20 30 CEEDLP COCC#CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000656533454 415748248 /nfs/dbraw/zinc/74/82/48/415748248.db2.gz POIGLSXGQHMONJ-UHFFFAOYSA-N 2 2 295.386 2.007 20 30 CEEDLP N#Cc1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000356071141 228110027 /nfs/dbraw/zinc/11/00/27/228110027.db2.gz ZXMMWXDHYIAFJQ-UHFFFAOYSA-N 2 2 273.365 2.048 20 30 CEEDLP C#CCCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119519037 262274480 /nfs/dbraw/zinc/27/44/80/262274480.db2.gz MZXFAGIFVYECFH-UHFFFAOYSA-N 2 2 292.346 2.426 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)NC1CCCC1 ZINC000263266093 262808715 /nfs/dbraw/zinc/80/87/15/262808715.db2.gz VDZBZFYZRJGTTA-ZDUSSCGKSA-N 2 2 294.468 2.458 20 30 CEEDLP C=CCc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(OC)c1O ZINC000414786537 263048124 /nfs/dbraw/zinc/04/81/24/263048124.db2.gz KKLHLGFCYHIQKX-UHFFFAOYSA-N 2 2 290.407 2.443 20 30 CEEDLP C=CCc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(OC)c1O ZINC000414786537 263048125 /nfs/dbraw/zinc/04/81/25/263048125.db2.gz KKLHLGFCYHIQKX-UHFFFAOYSA-N 2 2 290.407 2.443 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000341279879 263329917 /nfs/dbraw/zinc/32/99/17/263329917.db2.gz SXSBBZRHWBIMBI-SZMVWBNQSA-N 2 2 288.435 2.281 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341279879 263329919 /nfs/dbraw/zinc/32/99/19/263329919.db2.gz SXSBBZRHWBIMBI-SZMVWBNQSA-N 2 2 288.435 2.281 20 30 CEEDLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1C#N ZINC000443988439 267997106 /nfs/dbraw/zinc/99/71/06/267997106.db2.gz OIQIKLDCABCYOZ-UHFFFAOYSA-N 2 2 254.337 2.243 20 30 CEEDLP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425261450 271149080 /nfs/dbraw/zinc/14/90/80/271149080.db2.gz QEMORGNIKZFQTE-CQSZACIVSA-N 2 2 258.369 2.182 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000335328656 278376309 /nfs/dbraw/zinc/37/63/09/278376309.db2.gz ZRXQKNTWWPARAT-BXUZGUMPSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000335328656 278376310 /nfs/dbraw/zinc/37/63/10/278376310.db2.gz ZRXQKNTWWPARAT-BXUZGUMPSA-N 2 2 266.348 2.489 20 30 CEEDLP CC(C)C[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000564444338 327075433 /nfs/dbraw/zinc/07/54/33/327075433.db2.gz NTLQUYIYBUVKHD-AWEZNQCLSA-N 2 2 262.401 2.140 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422913680 330160435 /nfs/dbraw/zinc/16/04/35/330160435.db2.gz ZCRNOBSHASKFJX-DZGCQCFKSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000423497417 330207947 /nfs/dbraw/zinc/20/79/47/330207947.db2.gz YTJXADVWJXXVJV-ZIAGYGMSSA-N 2 2 264.369 2.255 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174781828 333007316 /nfs/dbraw/zinc/00/73/16/333007316.db2.gz FYWXRQGDQNVUFS-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174781828 333007318 /nfs/dbraw/zinc/00/73/18/333007318.db2.gz FYWXRQGDQNVUFS-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174781828 333007320 /nfs/dbraw/zinc/00/73/20/333007320.db2.gz FYWXRQGDQNVUFS-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174781828 333007322 /nfs/dbraw/zinc/00/73/22/333007322.db2.gz FYWXRQGDQNVUFS-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP CCCC[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000576696358 335235756 /nfs/dbraw/zinc/23/57/56/335235756.db2.gz GZORDIMAYWRGST-CQSZACIVSA-N 2 2 262.401 2.284 20 30 CEEDLP C=C(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925635750 628333230 /nfs/dbraw/zinc/33/32/30/628333230.db2.gz OTFQNRQGUYDCKG-VIQHNZTISA-N 2 2 254.377 2.286 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000986542483 631256409 /nfs/dbraw/zinc/25/64/09/631256409.db2.gz GQFUKUOISRXYBM-ZIAGYGMSSA-N 2 2 298.390 2.103 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989033867 631718340 /nfs/dbraw/zinc/71/83/40/631718340.db2.gz AXIRNOSURPPFPA-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000903453627 635137085 /nfs/dbraw/zinc/13/70/85/635137085.db2.gz FIGFBHQXZOKDTL-UHFFFAOYSA-N 2 2 257.381 2.488 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000903453627 635137087 /nfs/dbraw/zinc/13/70/87/635137087.db2.gz FIGFBHQXZOKDTL-UHFFFAOYSA-N 2 2 257.381 2.488 20 30 CEEDLP N#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000903564076 635164880 /nfs/dbraw/zinc/16/48/80/635164880.db2.gz PIFGLNLEJRSIPR-CQSZACIVSA-N 2 2 255.365 2.068 20 30 CEEDLP N#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000903564076 635164881 /nfs/dbraw/zinc/16/48/81/635164881.db2.gz PIFGLNLEJRSIPR-CQSZACIVSA-N 2 2 255.365 2.068 20 30 CEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904469295 635647400 /nfs/dbraw/zinc/64/74/00/635647400.db2.gz LDSFQGCMVIYSPC-AWEZNQCLSA-N 2 2 263.410 2.441 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904469295 635647404 /nfs/dbraw/zinc/64/74/04/635647404.db2.gz LDSFQGCMVIYSPC-AWEZNQCLSA-N 2 2 263.410 2.441 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C)c2)CC1 ZINC000905094100 635829464 /nfs/dbraw/zinc/82/94/64/635829464.db2.gz CPBLFCXGWVFIMI-QGZVFWFLSA-N 2 2 274.408 2.268 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000237700911 641371709 /nfs/dbraw/zinc/37/17/09/641371709.db2.gz MUJVGNFLCRHZAO-DZGCQCFKSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000237700911 641371713 /nfs/dbraw/zinc/37/17/13/641371713.db2.gz MUJVGNFLCRHZAO-DZGCQCFKSA-N 2 2 273.380 2.161 20 30 CEEDLP C[NH+](C)CCC[N@H+](C)CC/N=C/c1cc(Cl)ccc1O ZINC000849170546 642278282 /nfs/dbraw/zinc/27/82/82/642278282.db2.gz QPXBIWJRGQXLIM-SFQUDFHCSA-N 2 2 297.830 2.348 20 30 CEEDLP C[NH+](C)CCC[N@@H+](C)CC/N=C/c1cc(Cl)ccc1O ZINC000849170546 642278287 /nfs/dbraw/zinc/27/82/87/642278287.db2.gz QPXBIWJRGQXLIM-SFQUDFHCSA-N 2 2 297.830 2.348 20 30 CEEDLP C=CC[NH+]1CCC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001001529761 642727748 /nfs/dbraw/zinc/72/77/48/642727748.db2.gz UTJVFKPGYZQAFG-UHFFFAOYSA-N 2 2 298.390 2.191 20 30 CEEDLP CCO[C@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)C[NH+](C)C ZINC000922752165 643241363 /nfs/dbraw/zinc/24/13/63/643241363.db2.gz ABHBVWURBDFBGH-MRXNPFEDSA-N 2 2 289.423 2.231 20 30 CEEDLP C=CC[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005713017 643432667 /nfs/dbraw/zinc/43/26/67/643432667.db2.gz NRGJOQSZWCGGDQ-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862276165 646390491 /nfs/dbraw/zinc/39/04/91/646390491.db2.gz CLUISHSFLONLPD-UHFFFAOYSA-N 2 2 263.360 2.269 20 30 CEEDLP C[C@H]1C[C@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000863458841 646731031 /nfs/dbraw/zinc/73/10/31/646731031.db2.gz GSDSDIUSSSWQOB-FZMZJTMJSA-N 2 2 261.369 2.041 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCO1 ZINC000775340829 646942669 /nfs/dbraw/zinc/94/26/69/646942669.db2.gz IKSCXKVODIBARR-HUUCEWRRSA-N 2 2 287.388 2.204 20 30 CEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865403299 647275685 /nfs/dbraw/zinc/27/56/85/647275685.db2.gz UCPQZTGKYUCSPU-INIZCTEOSA-N 2 2 286.423 2.198 20 30 CEEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865403299 647275687 /nfs/dbraw/zinc/27/56/87/647275687.db2.gz UCPQZTGKYUCSPU-INIZCTEOSA-N 2 2 286.423 2.198 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143148 651391623 /nfs/dbraw/zinc/39/16/23/651391623.db2.gz YKXNJCKZPCZGEN-IRXDYDNUSA-N 2 2 269.392 2.269 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143148 651391624 /nfs/dbraw/zinc/39/16/24/651391624.db2.gz YKXNJCKZPCZGEN-IRXDYDNUSA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000880143148 651391625 /nfs/dbraw/zinc/39/16/25/651391625.db2.gz YKXNJCKZPCZGEN-IRXDYDNUSA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC000880143148 651391627 /nfs/dbraw/zinc/39/16/27/651391627.db2.gz YKXNJCKZPCZGEN-IRXDYDNUSA-N 2 2 269.392 2.269 20 30 CEEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CCCO1 ZINC000883164850 652384493 /nfs/dbraw/zinc/38/44/93/652384493.db2.gz PLXHKIPMQQAOSF-KGLIPLIRSA-N 2 2 254.418 2.430 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052907 815193127 /nfs/dbraw/zinc/19/31/27/815193127.db2.gz AYFIEOCFNKJIRN-NVXWUHKLSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052907 815193130 /nfs/dbraw/zinc/19/31/30/815193130.db2.gz AYFIEOCFNKJIRN-NVXWUHKLSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC#Cc1ccccc1 ZINC001120052907 815193133 /nfs/dbraw/zinc/19/31/33/815193133.db2.gz AYFIEOCFNKJIRN-NVXWUHKLSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC001120052907 815193136 /nfs/dbraw/zinc/19/31/36/815193136.db2.gz AYFIEOCFNKJIRN-NVXWUHKLSA-N 2 2 256.393 2.310 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046416250 811752169 /nfs/dbraw/zinc/75/21/69/811752169.db2.gz XNOODBCYWHNVLC-KRWDZBQOSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046416250 811752177 /nfs/dbraw/zinc/75/21/77/811752177.db2.gz XNOODBCYWHNVLC-KRWDZBQOSA-N 2 2 298.390 2.333 20 30 CEEDLP Cc1[nH+]cn([C@@H]2CC[C@@H](C#N)C2)c1CSCC[NH3+] ZINC001254643181 812517051 /nfs/dbraw/zinc/51/70/51/812517051.db2.gz NBJATSKWAIYRSS-VXGBXAGGSA-N 2 2 264.398 2.248 20 30 CEEDLP C=CCCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130006656 812526068 /nfs/dbraw/zinc/52/60/68/812526068.db2.gz OCYCGXHRQGXJMJ-OAHLLOKOSA-N 2 2 292.427 2.142 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266043 812549860 /nfs/dbraw/zinc/54/98/60/812549860.db2.gz JQPLUBHETBUBEE-GFCCVEGCSA-N 2 2 286.379 2.237 20 30 CEEDLP Cc1ccccc1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000170905030 815566933 /nfs/dbraw/zinc/56/69/33/815566933.db2.gz NEDKRRGZVOOXQE-UHFFFAOYSA-N 2 2 257.341 2.008 20 30 CEEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037421 813356778 /nfs/dbraw/zinc/35/67/78/813356778.db2.gz IZJLHQPRFMNONL-OCCSQVGLSA-N 2 2 287.407 2.127 20 30 CEEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246240502 813748586 /nfs/dbraw/zinc/74/85/86/813748586.db2.gz OZMFSEZEHUJSAA-QLFBSQMISA-N 2 2 256.434 2.438 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171176392 814060695 /nfs/dbraw/zinc/06/06/95/814060695.db2.gz RQSAUFIBYIWVDG-CQSZACIVSA-N 2 2 259.397 2.421 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206198631 815711441 /nfs/dbraw/zinc/71/14/41/815711441.db2.gz NBYKGMQCCBUCKX-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206198631 815711449 /nfs/dbraw/zinc/71/14/49/815711449.db2.gz NBYKGMQCCBUCKX-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CCn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC001139771309 816111865 /nfs/dbraw/zinc/11/18/65/816111865.db2.gz WQKWXFGUSGNBRZ-INIZCTEOSA-N 2 2 284.363 2.117 20 30 CEEDLP C=CCn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC001139771309 816111866 /nfs/dbraw/zinc/11/18/66/816111866.db2.gz WQKWXFGUSGNBRZ-INIZCTEOSA-N 2 2 284.363 2.117 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3c(C)cccn23)CC1 ZINC001177683739 816601770 /nfs/dbraw/zinc/60/17/70/816601770.db2.gz RSTVEKCIFZVTQF-UHFFFAOYSA-N 2 2 284.407 2.383 20 30 CEEDLP N#Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353189 343470461 /nfs/dbraw/zinc/47/04/61/343470461.db2.gz UWVPSOVXRIKMSG-UHFFFAOYSA-N 2 2 254.337 2.325 20 30 CEEDLP N#Cc1ccc(F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125232961 344318781 /nfs/dbraw/zinc/31/87/81/344318781.db2.gz IXBBWWRTTMBIMS-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602548617 347072674 /nfs/dbraw/zinc/07/26/74/347072674.db2.gz UGCRFRSRJKAPII-CQSZACIVSA-N 2 2 281.444 2.405 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000589504414 345085159 /nfs/dbraw/zinc/08/51/59/345085159.db2.gz UJJQGVMORILMEE-STQMWFEESA-N 2 2 295.308 2.228 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000592084998 345320430 /nfs/dbraw/zinc/32/04/30/345320430.db2.gz YCCICARNFPLMMH-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000592084998 345320432 /nfs/dbraw/zinc/32/04/32/345320432.db2.gz YCCICARNFPLMMH-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000591577247 345266201 /nfs/dbraw/zinc/26/62/01/345266201.db2.gz GCCGQFAELGTTCI-ZBFHGGJFSA-N 2 2 255.365 2.277 20 30 CEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472183 346525918 /nfs/dbraw/zinc/52/59/18/346525918.db2.gz BWVSNRUPKNRVPW-UHFFFAOYSA-N 2 2 299.418 2.163 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000600730409 346680255 /nfs/dbraw/zinc/68/02/55/346680255.db2.gz FYSDPEPLKJEZOX-HNNXBMFYSA-N 2 2 296.374 2.017 20 30 CEEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602641204 347119163 /nfs/dbraw/zinc/11/91/63/347119163.db2.gz XUYUTBWEDOMQJH-UKRRQHHQSA-N 2 2 259.353 2.475 20 30 CEEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602641204 347119165 /nfs/dbraw/zinc/11/91/65/347119165.db2.gz XUYUTBWEDOMQJH-UKRRQHHQSA-N 2 2 259.353 2.475 20 30 CEEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713702 347166603 /nfs/dbraw/zinc/16/66/03/347166603.db2.gz QCLQGGAQPBKUJJ-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713702 347166606 /nfs/dbraw/zinc/16/66/06/347166606.db2.gz QCLQGGAQPBKUJJ-LSDHHAIUSA-N 2 2 279.428 2.159 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000616760901 348572853 /nfs/dbraw/zinc/57/28/53/348572853.db2.gz OYSHEADLVOKDGS-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000122319281 187026219 /nfs/dbraw/zinc/02/62/19/187026219.db2.gz PZNPKGJVZMTXNG-DOMZBBRYSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000122319281 187026220 /nfs/dbraw/zinc/02/62/20/187026220.db2.gz PZNPKGJVZMTXNG-DOMZBBRYSA-N 2 2 255.365 2.273 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072858086 363171077 /nfs/dbraw/zinc/17/10/77/363171077.db2.gz DTYKIDDOYJOVRJ-MRXNPFEDSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072858086 363171083 /nfs/dbraw/zinc/17/10/83/363171083.db2.gz DTYKIDDOYJOVRJ-MRXNPFEDSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072858086 363171092 /nfs/dbraw/zinc/17/10/92/363171092.db2.gz DTYKIDDOYJOVRJ-MRXNPFEDSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072858086 363171097 /nfs/dbraw/zinc/17/10/97/363171097.db2.gz DTYKIDDOYJOVRJ-MRXNPFEDSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000072860917 363172793 /nfs/dbraw/zinc/17/27/93/363172793.db2.gz OINSJQSSVHWQCT-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000072860917 363172796 /nfs/dbraw/zinc/17/27/96/363172796.db2.gz OINSJQSSVHWQCT-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000072860917 363172799 /nfs/dbraw/zinc/17/27/99/363172799.db2.gz OINSJQSSVHWQCT-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000072860917 363172802 /nfs/dbraw/zinc/17/28/02/363172802.db2.gz OINSJQSSVHWQCT-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337531260 366158892 /nfs/dbraw/zinc/15/88/92/366158892.db2.gz VHAVCGDZVQVSQN-HOCLYGCPSA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848833 366406415 /nfs/dbraw/zinc/40/64/15/366406415.db2.gz HZFYHIVIHVVQBF-RDTXWAMCSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)[NH+]1CCC(C)CC1 ZINC000578316337 366476494 /nfs/dbraw/zinc/47/64/94/366476494.db2.gz XEUFXEQYRQTBIV-HUUCEWRRSA-N 2 2 262.401 2.140 20 30 CEEDLP C=CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257691 189040358 /nfs/dbraw/zinc/04/03/58/189040358.db2.gz NNSJGJBUHCOFMV-UHFFFAOYSA-N 2 2 259.397 2.206 20 30 CEEDLP C=CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257691 189040359 /nfs/dbraw/zinc/04/03/59/189040359.db2.gz NNSJGJBUHCOFMV-UHFFFAOYSA-N 2 2 259.397 2.206 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000093644172 364207195 /nfs/dbraw/zinc/20/71/95/364207195.db2.gz HHPUWMUQUQUALS-ZFWWWQNUSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000093644172 364207197 /nfs/dbraw/zinc/20/71/97/364207197.db2.gz HHPUWMUQUQUALS-ZFWWWQNUSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644172 364207198 /nfs/dbraw/zinc/20/71/98/364207198.db2.gz HHPUWMUQUQUALS-ZFWWWQNUSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644172 364207200 /nfs/dbraw/zinc/20/72/00/364207200.db2.gz HHPUWMUQUQUALS-ZFWWWQNUSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000341470894 367347760 /nfs/dbraw/zinc/34/77/60/367347760.db2.gz BUJGPEMLDMMFMJ-CZUORRHYSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000341470894 367347765 /nfs/dbraw/zinc/34/77/65/367347765.db2.gz BUJGPEMLDMMFMJ-CZUORRHYSA-N 2 2 269.392 2.316 20 30 CEEDLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000171691866 367594191 /nfs/dbraw/zinc/59/41/91/367594191.db2.gz PTLQTHFPNHYMHQ-UHFFFAOYSA-N 2 2 287.407 2.399 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000346694689 368777678 /nfs/dbraw/zinc/77/76/78/368777678.db2.gz VRVAYUNPKRTHNJ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000346694689 368777684 /nfs/dbraw/zinc/77/76/84/368777684.db2.gz VRVAYUNPKRTHNJ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000352810730 369888268 /nfs/dbraw/zinc/88/82/68/369888268.db2.gz OOUYLYYUHJBOQN-GFCCVEGCSA-N 2 2 280.441 2.471 20 30 CEEDLP CC(C)(C[NH2+]Cc1nc(C#N)cs1)C[NH+]1CCCC1 ZINC000352862554 369920337 /nfs/dbraw/zinc/92/03/37/369920337.db2.gz OPRLCUCFPFBMAV-UHFFFAOYSA-N 2 2 278.425 2.226 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246829402 371016467 /nfs/dbraw/zinc/01/64/67/371016467.db2.gz JMVDRLXKXZQQIC-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246829402 371016473 /nfs/dbraw/zinc/01/64/73/371016473.db2.gz JMVDRLXKXZQQIC-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246829402 371016479 /nfs/dbraw/zinc/01/64/79/371016479.db2.gz JMVDRLXKXZQQIC-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246829402 371016485 /nfs/dbraw/zinc/01/64/85/371016485.db2.gz JMVDRLXKXZQQIC-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)[N@H+](C)C1CC1 ZINC000359892685 371492243 /nfs/dbraw/zinc/49/22/43/371492243.db2.gz ALTIWGMINPWWBW-GWFJUFKTSA-N 2 2 291.439 2.299 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)[N@@H+](C)C1CC1 ZINC000359892685 371492245 /nfs/dbraw/zinc/49/22/45/371492245.db2.gz ALTIWGMINPWWBW-GWFJUFKTSA-N 2 2 291.439 2.299 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccc(F)cc1 ZINC000264063843 371959177 /nfs/dbraw/zinc/95/91/77/371959177.db2.gz AJJQQSYYSWWZSF-OAHLLOKOSA-N 2 2 292.402 2.275 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264068140 371961376 /nfs/dbraw/zinc/96/13/76/371961376.db2.gz BZJXKVIWDYTQKM-AWEZNQCLSA-N 2 2 280.391 2.085 20 30 CEEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268656516 372170776 /nfs/dbraw/zinc/17/07/76/372170776.db2.gz LBBJRLJSLSVJQH-HZPDHXFCSA-N 2 2 296.374 2.194 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272706403 373623020 /nfs/dbraw/zinc/62/30/20/373623020.db2.gz ZUPFEZIWVDCORU-WBVHZDCISA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272706403 373623027 /nfs/dbraw/zinc/62/30/27/373623027.db2.gz ZUPFEZIWVDCORU-WBVHZDCISA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272706403 373623034 /nfs/dbraw/zinc/62/30/34/373623034.db2.gz ZUPFEZIWVDCORU-WBVHZDCISA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272706403 373623038 /nfs/dbraw/zinc/62/30/38/373623038.db2.gz ZUPFEZIWVDCORU-WBVHZDCISA-N 2 2 284.403 2.225 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350299 376743316 /nfs/dbraw/zinc/74/33/16/376743316.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350299 376743321 /nfs/dbraw/zinc/74/33/21/376743321.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000290350299 376743326 /nfs/dbraw/zinc/74/33/26/376743326.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000290350299 376743330 /nfs/dbraw/zinc/74/33/30/376743330.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCCCC1 ZINC000562986968 377045463 /nfs/dbraw/zinc/04/54/63/377045463.db2.gz FEUBTPWUOVCQRE-LSDHHAIUSA-N 2 2 262.401 2.142 20 30 CEEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000563351364 377179649 /nfs/dbraw/zinc/17/96/49/377179649.db2.gz ZNAVTKKAZUVMHK-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000563351364 377179657 /nfs/dbraw/zinc/17/96/57/377179657.db2.gz ZNAVTKKAZUVMHK-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000563351364 377179660 /nfs/dbraw/zinc/17/96/60/377179660.db2.gz ZNAVTKKAZUVMHK-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000563351364 377179667 /nfs/dbraw/zinc/17/96/67/377179667.db2.gz ZNAVTKKAZUVMHK-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267376 /nfs/dbraw/zinc/26/73/76/377267376.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267384 /nfs/dbraw/zinc/26/73/84/377267384.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267396 /nfs/dbraw/zinc/26/73/96/377267396.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628934 377267406 /nfs/dbraw/zinc/26/74/06/377267406.db2.gz DUMXKSMHGNRXEG-KRWDZBQOSA-N 2 2 289.423 2.081 20 30 CEEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449702323 378222620 /nfs/dbraw/zinc/22/26/20/378222620.db2.gz YTBHHXSOMYIAJH-CYBMUJFWSA-N 2 2 294.361 2.320 20 30 CEEDLP N#CCSCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266788771 394668799 /nfs/dbraw/zinc/66/87/99/394668799.db2.gz WRLVJCMPHGFLEL-UHFFFAOYSA-N 2 2 264.398 2.236 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1F ZINC000423392638 394912842 /nfs/dbraw/zinc/91/28/42/394912842.db2.gz XXDACDRAWXUZOG-MDZLAQPJSA-N 2 2 261.344 2.488 20 30 CEEDLP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)c(C#N)c[nH+]1 ZINC000425252176 395054724 /nfs/dbraw/zinc/05/47/24/395054724.db2.gz GXWKDIIBLXEORK-UHFFFAOYSA-N 2 2 294.402 2.400 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2COCC)CC1 ZINC000354329337 395326651 /nfs/dbraw/zinc/32/66/51/395326651.db2.gz KZGLBJAPEQFROI-HOCLYGCPSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000352921052 395277034 /nfs/dbraw/zinc/27/70/34/395277034.db2.gz FFHKKPKLDDEIKA-XJKSGUPXSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000352921052 395277038 /nfs/dbraw/zinc/27/70/38/395277038.db2.gz FFHKKPKLDDEIKA-XJKSGUPXSA-N 2 2 260.381 2.291 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C#N)CC3)CC2)cc1 ZINC000571716329 395584389 /nfs/dbraw/zinc/58/43/89/395584389.db2.gz JKVRJIXCXCGADQ-UHFFFAOYSA-N 2 2 294.402 2.416 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000368495675 156354473 /nfs/dbraw/zinc/35/44/73/156354473.db2.gz KNSYYQXJMOUDRW-UHFFFAOYSA-N 2 2 272.377 2.442 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000414943473 263152751 /nfs/dbraw/zinc/15/27/51/263152751.db2.gz LXDSCNMLUHMDPP-QGZVFWFLSA-N 2 2 290.407 2.110 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341876468 263361604 /nfs/dbraw/zinc/36/16/04/263361604.db2.gz JYIXKHRADSDRRV-ROUUACIJSA-N 2 2 288.435 2.425 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341876468 263361606 /nfs/dbraw/zinc/36/16/06/263361606.db2.gz JYIXKHRADSDRRV-ROUUACIJSA-N 2 2 288.435 2.425 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000442713825 264621558 /nfs/dbraw/zinc/62/15/58/264621558.db2.gz XHNUYTLQGWOATE-QWHCGFSZSA-N 2 2 254.337 2.159 20 30 CEEDLP CCc1ccccc1[C@H]([NH3+])CNc1cc(C)[nH+]cc1C#N ZINC000424415304 271053105 /nfs/dbraw/zinc/05/31/05/271053105.db2.gz SDCSDWAPUHUJCM-MRXNPFEDSA-N 2 2 280.375 2.358 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000335495102 274927086 /nfs/dbraw/zinc/92/70/86/274927086.db2.gz IVTRLPHENDICEV-GOEBONIOSA-N 2 2 255.365 2.277 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000354328991 275745257 /nfs/dbraw/zinc/74/52/57/275745257.db2.gz KNPUXZNBCHYZLM-CYBMUJFWSA-N 2 2 252.402 2.042 20 30 CEEDLP N#Cc1csc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000093492507 279712478 /nfs/dbraw/zinc/71/24/78/279712478.db2.gz NMITYLMAWLNVHJ-UHFFFAOYSA-N 2 2 260.366 2.386 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000570790832 314058317 /nfs/dbraw/zinc/05/83/17/314058317.db2.gz YCPYLMVEUJHCRV-DZGCQCFKSA-N 2 2 278.359 2.416 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000570790832 314058320 /nfs/dbraw/zinc/05/83/20/314058320.db2.gz YCPYLMVEUJHCRV-DZGCQCFKSA-N 2 2 278.359 2.416 20 30 CEEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)NC1CCCCCC1 ZINC000262027133 328144071 /nfs/dbraw/zinc/14/40/71/328144071.db2.gz ZZAWZUZLCSERJS-UHFFFAOYSA-N 2 2 289.427 2.347 20 30 CEEDLP C=CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375276360 329002594 /nfs/dbraw/zinc/00/25/94/329002594.db2.gz SXLVNRHDFHPDQN-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375276360 329002595 /nfs/dbraw/zinc/00/25/95/329002595.db2.gz SXLVNRHDFHPDQN-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375276360 329002596 /nfs/dbraw/zinc/00/25/96/329002596.db2.gz SXLVNRHDFHPDQN-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375276360 329002597 /nfs/dbraw/zinc/00/25/97/329002597.db2.gz SXLVNRHDFHPDQN-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377622752 329021296 /nfs/dbraw/zinc/02/12/96/329021296.db2.gz IONHZRMFJIRVAS-CQSZACIVSA-N 2 2 285.391 2.257 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377622752 329021297 /nfs/dbraw/zinc/02/12/97/329021297.db2.gz IONHZRMFJIRVAS-CQSZACIVSA-N 2 2 285.391 2.257 20 30 CEEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000378187187 329042733 /nfs/dbraw/zinc/04/27/33/329042733.db2.gz ZCTFJHDDRKLXFJ-CQSZACIVSA-N 2 2 257.381 2.047 20 30 CEEDLP C#CCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000178054095 329192018 /nfs/dbraw/zinc/19/20/18/329192018.db2.gz AZMROPHXZJRILE-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000178641709 329201595 /nfs/dbraw/zinc/20/15/95/329201595.db2.gz XEQJCTNPECBKEO-UHFFFAOYSA-N 2 2 272.396 2.329 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000583252972 329399701 /nfs/dbraw/zinc/39/97/01/329399701.db2.gz OWVSZZOREPTEQY-UHFFFAOYSA-N 2 2 281.363 2.359 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423109960 330170733 /nfs/dbraw/zinc/17/07/33/330170733.db2.gz UIYZZLPLFAIDJX-CJNGLKHVSA-N 2 2 260.381 2.482 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000328080600 330311809 /nfs/dbraw/zinc/31/18/09/330311809.db2.gz GPUSRSOWZHCZSS-CQSZACIVSA-N 2 2 263.360 2.217 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000328080600 330311810 /nfs/dbraw/zinc/31/18/10/330311810.db2.gz GPUSRSOWZHCZSS-CQSZACIVSA-N 2 2 263.360 2.217 20 30 CEEDLP CC#CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452109175 331054533 /nfs/dbraw/zinc/05/45/33/331054533.db2.gz GZRGEUWSMDIBIG-UHFFFAOYSA-N 2 2 262.319 2.358 20 30 CEEDLP CC#CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452109175 331054534 /nfs/dbraw/zinc/05/45/34/331054534.db2.gz GZRGEUWSMDIBIG-UHFFFAOYSA-N 2 2 262.319 2.358 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453345093 331119796 /nfs/dbraw/zinc/11/97/96/331119796.db2.gz HFRRWNRWGHCMHP-JQHSSLGASA-N 2 2 288.435 2.424 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453345093 331119797 /nfs/dbraw/zinc/11/97/97/331119797.db2.gz HFRRWNRWGHCMHP-JQHSSLGASA-N 2 2 288.435 2.424 20 30 CEEDLP C[C@@H]1C[NH+](CCC[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000174253327 335151475 /nfs/dbraw/zinc/15/14/75/335151475.db2.gz RFATVDJLNBACPF-HUUCEWRRSA-N 2 2 281.444 2.405 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]CC(C)C[NH2+][C@@H](CC)CC#N ZINC000580566956 335283347 /nfs/dbraw/zinc/28/33/47/335283347.db2.gz KTBVNURIUNZFRO-KBPBESRZSA-N 2 2 250.390 2.186 20 30 CEEDLP C=C(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615716 336112990 /nfs/dbraw/zinc/11/29/90/336112990.db2.gz QMCZBGHEAXUVEY-BBRMVZONSA-N 2 2 298.377 2.484 20 30 CEEDLP C=C(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615716 336112991 /nfs/dbraw/zinc/11/29/91/336112991.db2.gz QMCZBGHEAXUVEY-BBRMVZONSA-N 2 2 298.377 2.484 20 30 CEEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000347109249 526865310 /nfs/dbraw/zinc/86/53/10/526865310.db2.gz MZTWQFLRPLULOL-UHFFFAOYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000744738861 575125485 /nfs/dbraw/zinc/12/54/85/575125485.db2.gz PZJFNHFBEQMHLM-GOSISDBHSA-N 2 2 288.435 2.174 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000744738861 575125486 /nfs/dbraw/zinc/12/54/86/575125486.db2.gz PZJFNHFBEQMHLM-GOSISDBHSA-N 2 2 288.435 2.174 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023444832 625016023 /nfs/dbraw/zinc/01/60/23/625016023.db2.gz XKHRLPTWRYTOHH-ZDUSSCGKSA-N 2 2 298.390 2.191 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023444832 625016024 /nfs/dbraw/zinc/01/60/24/625016024.db2.gz XKHRLPTWRYTOHH-ZDUSSCGKSA-N 2 2 298.390 2.191 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000328292015 627873794 /nfs/dbraw/zinc/87/37/94/627873794.db2.gz RTIIYWFUFUFDIO-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000328292015 627873797 /nfs/dbraw/zinc/87/37/97/627873797.db2.gz RTIIYWFUFUFDIO-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742539 634805199 /nfs/dbraw/zinc/80/51/99/634805199.db2.gz RXNWABRRUZKSJV-GXTWGEPZSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742539 634805202 /nfs/dbraw/zinc/80/52/02/634805202.db2.gz RXNWABRRUZKSJV-GXTWGEPZSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C#N)ccn1 ZINC000902753785 634810335 /nfs/dbraw/zinc/81/03/35/634810335.db2.gz STWMGGGNVMITOR-QEJZJMRPSA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C#N)ccn1 ZINC000902753785 634810332 /nfs/dbraw/zinc/81/03/32/634810332.db2.gz STWMGGGNVMITOR-QEJZJMRPSA-N 2 2 270.380 2.231 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000809425006 632090519 /nfs/dbraw/zinc/09/05/19/632090519.db2.gz PQEOAZKIVUKWFS-AWEZNQCLSA-N 2 2 253.349 2.290 20 30 CEEDLP C=CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccncc1 ZINC000817893909 633755831 /nfs/dbraw/zinc/75/58/31/633755831.db2.gz HUPDTVYGWQUQQB-BPUTZDHNSA-N 2 2 275.396 2.055 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154553753 640923936 /nfs/dbraw/zinc/92/39/36/640923936.db2.gz BZLMIYPEWQDPMY-GOEBONIOSA-N 2 2 272.392 2.443 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154553753 640923938 /nfs/dbraw/zinc/92/39/38/640923938.db2.gz BZLMIYPEWQDPMY-GOEBONIOSA-N 2 2 272.392 2.443 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866363756 647757071 /nfs/dbraw/zinc/75/70/71/647757071.db2.gz NRLSDIUDWKPAFL-MRXNPFEDSA-N 2 2 259.397 2.323 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866363756 647757072 /nfs/dbraw/zinc/75/70/72/647757072.db2.gz NRLSDIUDWKPAFL-MRXNPFEDSA-N 2 2 259.397 2.323 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000873281035 649624160 /nfs/dbraw/zinc/62/41/60/649624160.db2.gz XBQIKCUYFBGOJT-GJZGRUSLSA-N 2 2 266.429 2.335 20 30 CEEDLP C#C[C@](C)(CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878661191 651156432 /nfs/dbraw/zinc/15/64/32/651156432.db2.gz ZVCGJBHGWJWPHM-MSOLQXFVSA-N 2 2 286.419 2.015 20 30 CEEDLP C#C[C@](C)(CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878661191 651156433 /nfs/dbraw/zinc/15/64/33/651156433.db2.gz ZVCGJBHGWJWPHM-MSOLQXFVSA-N 2 2 286.419 2.015 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1OC ZINC000883131294 652372558 /nfs/dbraw/zinc/37/25/58/652372558.db2.gz UYRHFWOTCWQTLC-UHFFFAOYSA-N 2 2 260.381 2.048 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1OC ZINC000883131294 652372561 /nfs/dbraw/zinc/37/25/61/652372561.db2.gz UYRHFWOTCWQTLC-UHFFFAOYSA-N 2 2 260.381 2.048 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000883217214 652403145 /nfs/dbraw/zinc/40/31/45/652403145.db2.gz DPZYXQYNINKWPH-KKUMJFAQSA-N 2 2 275.396 2.301 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000884613730 652943970 /nfs/dbraw/zinc/94/39/70/652943970.db2.gz URZVJXMDZCZLNE-LBPRGKRZSA-N 2 2 254.337 2.072 20 30 CEEDLP C#CC[N@H+]1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000884613730 652943973 /nfs/dbraw/zinc/94/39/73/652943973.db2.gz URZVJXMDZCZLNE-LBPRGKRZSA-N 2 2 254.337 2.072 20 30 CEEDLP N#Cc1cc2[nH]ccc2c(NC(=[NH2+])SCC[NH3+])c1 ZINC001167913001 803227731 /nfs/dbraw/zinc/22/77/31/803227731.db2.gz UYQCAXQYVKONOJ-UHFFFAOYSA-N 2 2 259.338 2.078 20 30 CEEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038904846 804512844 /nfs/dbraw/zinc/51/28/44/804512844.db2.gz XXOHRHHQZSCEBR-CVEARBPZSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038904846 804512849 /nfs/dbraw/zinc/51/28/49/804512849.db2.gz XXOHRHHQZSCEBR-CVEARBPZSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038904846 804512859 /nfs/dbraw/zinc/51/28/59/804512859.db2.gz XXOHRHHQZSCEBR-CVEARBPZSA-N 2 2 293.455 2.018 20 30 CEEDLP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268747803 804957775 /nfs/dbraw/zinc/95/77/75/804957775.db2.gz CIMSGMYFPHADOS-GJZGRUSLSA-N 2 2 292.427 2.237 20 30 CEEDLP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268747803 804957779 /nfs/dbraw/zinc/95/77/79/804957779.db2.gz CIMSGMYFPHADOS-GJZGRUSLSA-N 2 2 292.427 2.237 20 30 CEEDLP C#CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001270771560 805547305 /nfs/dbraw/zinc/54/73/05/805547305.db2.gz KFBKYMSMQCKQBD-UHFFFAOYSA-N 2 2 299.418 2.272 20 30 CEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001085271702 810711967 /nfs/dbraw/zinc/71/19/67/810711967.db2.gz SBLQDLXPOHBGQW-ZIAGYGMSSA-N 2 2 298.390 2.151 20 30 CEEDLP C#C[C@](C)(CC)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169700228 811631286 /nfs/dbraw/zinc/63/12/86/811631286.db2.gz KYPYJTCMJOTUHX-NVXWUHKLSA-N 2 2 271.408 2.433 20 30 CEEDLP C#C[C@](C)(CC)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169700228 811631288 /nfs/dbraw/zinc/63/12/88/811631288.db2.gz KYPYJTCMJOTUHX-NVXWUHKLSA-N 2 2 271.408 2.433 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046416251 811753406 /nfs/dbraw/zinc/75/34/06/811753406.db2.gz XNOODBCYWHNVLC-QGZVFWFLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046416251 811753409 /nfs/dbraw/zinc/75/34/09/811753409.db2.gz XNOODBCYWHNVLC-QGZVFWFLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001054921602 812667499 /nfs/dbraw/zinc/66/74/99/812667499.db2.gz BSIUEMNSIGWESB-WFASDCNBSA-N 2 2 287.407 2.243 20 30 CEEDLP C=C(C)CC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560493 812688333 /nfs/dbraw/zinc/68/83/33/812688333.db2.gz QAJDVIQUYKXGPB-UHFFFAOYSA-N 2 2 275.396 2.292 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246929547 814429863 /nfs/dbraw/zinc/42/98/63/814429863.db2.gz FVFBUPRWSPLSSZ-MELADBBJSA-N 2 2 270.417 2.168 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246929547 814429868 /nfs/dbraw/zinc/42/98/68/814429868.db2.gz FVFBUPRWSPLSSZ-MELADBBJSA-N 2 2 270.417 2.168 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246929546 814430087 /nfs/dbraw/zinc/43/00/87/814430087.db2.gz FVFBUPRWSPLSSZ-IHRRRGAJSA-N 2 2 270.417 2.168 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246929546 814430091 /nfs/dbraw/zinc/43/00/91/814430091.db2.gz FVFBUPRWSPLSSZ-IHRRRGAJSA-N 2 2 270.417 2.168 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206209224 815791710 /nfs/dbraw/zinc/79/17/10/815791710.db2.gz CRSNNSUQYJZVGE-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Cl ZINC001206209224 815791715 /nfs/dbraw/zinc/79/17/15/815791715.db2.gz CRSNNSUQYJZVGE-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463119 816204797 /nfs/dbraw/zinc/20/47/97/816204797.db2.gz XVRDCODYBNCEIV-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000042616566 362105816 /nfs/dbraw/zinc/10/58/16/362105816.db2.gz WTCZFYAJQNUOTG-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000042616566 362105825 /nfs/dbraw/zinc/10/58/25/362105825.db2.gz WTCZFYAJQNUOTG-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP C[N@H+](CC1(C#N)CC1)[C@@H]1CCC[NH+](CC2(C#N)CC2)CC1 ZINC000347492989 529853350 /nfs/dbraw/zinc/85/33/50/529853350.db2.gz WCKFRXKHYUWSGQ-OAHLLOKOSA-N 2 2 286.423 2.380 20 30 CEEDLP C[N@@H+](CC1(C#N)CC1)[C@@H]1CCC[NH+](CC2(C#N)CC2)CC1 ZINC000347492989 529853351 /nfs/dbraw/zinc/85/33/51/529853351.db2.gz WCKFRXKHYUWSGQ-OAHLLOKOSA-N 2 2 286.423 2.380 20 30 CEEDLP C[NH+](CC1(C#N)CC1)[C@@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000347492989 529853353 /nfs/dbraw/zinc/85/33/53/529853353.db2.gz WCKFRXKHYUWSGQ-OAHLLOKOSA-N 2 2 286.423 2.380 20 30 CEEDLP C[NH+](CC1(C#N)CC1)[C@@H]1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000347492989 529853354 /nfs/dbraw/zinc/85/33/54/529853354.db2.gz WCKFRXKHYUWSGQ-OAHLLOKOSA-N 2 2 286.423 2.380 20 30 CEEDLP C=CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000127156175 187286344 /nfs/dbraw/zinc/28/63/44/187286344.db2.gz FJYDUTRTRMGZLA-CQSZACIVSA-N 2 2 273.380 2.132 20 30 CEEDLP C=CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000127156175 187286345 /nfs/dbraw/zinc/28/63/45/187286345.db2.gz FJYDUTRTRMGZLA-CQSZACIVSA-N 2 2 273.380 2.132 20 30 CEEDLP C[NH+]=C(NCC(C)(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179225189 344504911 /nfs/dbraw/zinc/50/49/11/344504911.db2.gz VWLONUITCAUEIS-KGLIPLIRSA-N 2 2 291.443 2.388 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405109909 344883421 /nfs/dbraw/zinc/88/34/21/344883421.db2.gz MRXNVDHEQTVSDF-UHFFFAOYSA-N 2 2 266.348 2.240 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405109909 344883425 /nfs/dbraw/zinc/88/34/25/344883425.db2.gz MRXNVDHEQTVSDF-UHFFFAOYSA-N 2 2 266.348 2.240 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591577780 345265904 /nfs/dbraw/zinc/26/59/04/345265904.db2.gz GXLUKFXFEFMODT-BXUZGUMPSA-N 2 2 261.344 2.490 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517014 345641996 /nfs/dbraw/zinc/64/19/96/345641996.db2.gz UEAIJEOYZIXNLR-CZUORRHYSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517014 345641998 /nfs/dbraw/zinc/64/19/98/345641998.db2.gz UEAIJEOYZIXNLR-CZUORRHYSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000598598797 346381102 /nfs/dbraw/zinc/38/11/02/346381102.db2.gz VWSOIBSXOMHMCJ-RBSFLKMASA-N 2 2 290.411 2.067 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000598598797 346381106 /nfs/dbraw/zinc/38/11/06/346381106.db2.gz VWSOIBSXOMHMCJ-RBSFLKMASA-N 2 2 290.411 2.067 20 30 CEEDLP C[N@H+](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598700207 346403147 /nfs/dbraw/zinc/40/31/47/346403147.db2.gz LYHOGXBUJYOCRS-INIZCTEOSA-N 2 2 289.423 2.009 20 30 CEEDLP C[N@@H+](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598700207 346403149 /nfs/dbraw/zinc/40/31/49/346403149.db2.gz LYHOGXBUJYOCRS-INIZCTEOSA-N 2 2 289.423 2.009 20 30 CEEDLP COCC[NH2+]C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000600708252 346675037 /nfs/dbraw/zinc/67/50/37/346675037.db2.gz DTIXRCIENXGHHT-UHFFFAOYSA-N 2 2 287.407 2.067 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889836 347239830 /nfs/dbraw/zinc/23/98/30/347239830.db2.gz DYQCONBQWKSSCG-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889836 347239832 /nfs/dbraw/zinc/23/98/32/347239832.db2.gz DYQCONBQWKSSCG-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000610995107 347730414 /nfs/dbraw/zinc/73/04/14/347730414.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995107 347730418 /nfs/dbraw/zinc/73/04/18/347730418.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995107 347730428 /nfs/dbraw/zinc/73/04/28/347730428.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662759 180220116 /nfs/dbraw/zinc/22/01/16/180220116.db2.gz KUYLOCNOJVIVAB-IAOVAPTHSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662759 180220120 /nfs/dbraw/zinc/22/01/20/180220120.db2.gz KUYLOCNOJVIVAB-IAOVAPTHSA-N 2 2 285.391 2.072 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043435 180311084 /nfs/dbraw/zinc/31/10/84/180311084.db2.gz CSEKGOHCNYHLAZ-WFASDCNBSA-N 2 2 259.353 2.067 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043435 180311085 /nfs/dbraw/zinc/31/10/85/180311085.db2.gz CSEKGOHCNYHLAZ-WFASDCNBSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043435 180311087 /nfs/dbraw/zinc/31/10/87/180311087.db2.gz CSEKGOHCNYHLAZ-WFASDCNBSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043435 180311089 /nfs/dbraw/zinc/31/10/89/180311089.db2.gz CSEKGOHCNYHLAZ-WFASDCNBSA-N 2 2 259.353 2.067 20 30 CEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335498674 283191696 /nfs/dbraw/zinc/19/16/96/283191696.db2.gz SLKCZYAGMBZART-HOCLYGCPSA-N 2 2 255.365 2.277 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000151066700 366615749 /nfs/dbraw/zinc/61/57/49/366615749.db2.gz XYWBKCYTJHMNPK-SWLSCSKDSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C#N ZINC000151066700 366615757 /nfs/dbraw/zinc/61/57/57/366615757.db2.gz XYWBKCYTJHMNPK-SWLSCSKDSA-N 2 2 285.391 2.282 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151068816 366615896 /nfs/dbraw/zinc/61/58/96/366615896.db2.gz TUHCQWKORIODMX-ZBFHGGJFSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151068816 366615902 /nfs/dbraw/zinc/61/59/02/366615902.db2.gz TUHCQWKORIODMX-ZBFHGGJFSA-N 2 2 284.403 2.413 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000677819658 541046946 /nfs/dbraw/zinc/04/69/46/541046946.db2.gz ITRNMBDDKFMCEJ-INIZCTEOSA-N 2 2 297.402 2.459 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000677819658 541046944 /nfs/dbraw/zinc/04/69/44/541046944.db2.gz ITRNMBDDKFMCEJ-INIZCTEOSA-N 2 2 297.402 2.459 20 30 CEEDLP C#CCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090399147 364055697 /nfs/dbraw/zinc/05/56/97/364055697.db2.gz BPQHYTWWMZMVGO-UHFFFAOYSA-N 2 2 271.408 2.439 20 30 CEEDLP C=CCCOCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090884027 364066998 /nfs/dbraw/zinc/06/69/98/364066998.db2.gz AQZYBORUWNVATJ-UHFFFAOYSA-N 2 2 275.396 2.233 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000093644170 364207502 /nfs/dbraw/zinc/20/75/02/364207502.db2.gz HHPUWMUQUQUALS-DZGCQCFKSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000093644170 364207511 /nfs/dbraw/zinc/20/75/11/364207511.db2.gz HHPUWMUQUQUALS-DZGCQCFKSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644170 364207518 /nfs/dbraw/zinc/20/75/18/364207518.db2.gz HHPUWMUQUQUALS-DZGCQCFKSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644170 364207524 /nfs/dbraw/zinc/20/75/24/364207524.db2.gz HHPUWMUQUQUALS-DZGCQCFKSA-N 2 2 297.406 2.120 20 30 CEEDLP N#CC1(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000583271171 367025366 /nfs/dbraw/zinc/02/53/66/367025366.db2.gz UFYPBMSKQKYLTA-UHFFFAOYSA-N 2 2 287.411 2.396 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724219 370863602 /nfs/dbraw/zinc/86/36/02/370863602.db2.gz INNKDRAZNNRSFC-SWLSCSKDSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724219 370863608 /nfs/dbraw/zinc/86/36/08/370863608.db2.gz INNKDRAZNNRSFC-SWLSCSKDSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724219 370863614 /nfs/dbraw/zinc/86/36/14/370863614.db2.gz INNKDRAZNNRSFC-SWLSCSKDSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000245724219 370863615 /nfs/dbraw/zinc/86/36/15/370863615.db2.gz INNKDRAZNNRSFC-SWLSCSKDSA-N 2 2 261.369 2.313 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245971040 370896143 /nfs/dbraw/zinc/89/61/43/370896143.db2.gz ZRBIDSCBUPOPJT-BZUAXINKSA-N 2 2 278.440 2.430 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634960152 368994010 /nfs/dbraw/zinc/99/40/10/368994010.db2.gz KQYLTXPKQALPFI-UHFFFAOYSA-N 2 2 282.391 2.370 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000191442947 369714447 /nfs/dbraw/zinc/71/44/47/369714447.db2.gz XTPJZKBDLXUSFF-CJNGLKHVSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000191442947 369714452 /nfs/dbraw/zinc/71/44/52/369714452.db2.gz XTPJZKBDLXUSFF-CJNGLKHVSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+]1CCCCC1 ZINC000352854699 369915612 /nfs/dbraw/zinc/91/56/12/369915612.db2.gz RMOUMOUAKAVAAQ-LBPRGKRZSA-N 2 2 278.425 2.226 20 30 CEEDLP C=CCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193359405 369931701 /nfs/dbraw/zinc/93/17/01/369931701.db2.gz AKEZCXUWOADNKO-MRXNPFEDSA-N 2 2 266.429 2.387 20 30 CEEDLP C=CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193359405 369931708 /nfs/dbraw/zinc/93/17/08/369931708.db2.gz AKEZCXUWOADNKO-MRXNPFEDSA-N 2 2 266.429 2.387 20 30 CEEDLP C=C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639483361 371355234 /nfs/dbraw/zinc/35/52/34/371355234.db2.gz STOIKUOKFGPSKR-SFHVURJKSA-N 2 2 286.419 2.275 20 30 CEEDLP C=C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639483361 371355239 /nfs/dbraw/zinc/35/52/39/371355239.db2.gz STOIKUOKFGPSKR-SFHVURJKSA-N 2 2 286.419 2.275 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264109176 371971895 /nfs/dbraw/zinc/97/18/95/371971895.db2.gz OKMSUGTZOJRMIE-LLVKDONJSA-N 2 2 268.430 2.007 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264133291 371975807 /nfs/dbraw/zinc/97/58/07/371975807.db2.gz YROGSEHYIIYBTR-LBPRGKRZSA-N 2 2 271.368 2.075 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264136774 371976860 /nfs/dbraw/zinc/97/68/60/371976860.db2.gz ZXXGEIUPYZEIEH-NSHDSACASA-N 2 2 289.358 2.214 20 30 CEEDLP C=CCOCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000643479635 373147009 /nfs/dbraw/zinc/14/70/09/373147009.db2.gz XKWLUIJWCXJXHR-IAGOWNOFSA-N 2 2 290.407 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685036 373488812 /nfs/dbraw/zinc/48/88/12/373488812.db2.gz ZEQNTKJVKWZINA-AWEZNQCLSA-N 2 2 283.379 2.010 20 30 CEEDLP C=CCCC[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398180962 375348185 /nfs/dbraw/zinc/34/81/85/375348185.db2.gz NYXCVYFQNRYMKJ-GFCCVEGCSA-N 2 2 250.390 2.321 20 30 CEEDLP C=CCCC[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398180963 375348481 /nfs/dbraw/zinc/34/84/81/375348481.db2.gz NYXCVYFQNRYMKJ-LBPRGKRZSA-N 2 2 250.390 2.321 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000420324475 376684846 /nfs/dbraw/zinc/68/48/46/376684846.db2.gz ZTEAPZQVSCGMCF-KRWDZBQOSA-N 2 2 289.423 2.144 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000420324475 376684855 /nfs/dbraw/zinc/68/48/55/376684855.db2.gz ZTEAPZQVSCGMCF-KRWDZBQOSA-N 2 2 289.423 2.144 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527161 376821292 /nfs/dbraw/zinc/82/12/92/376821292.db2.gz QJBBPWMKJJKXBE-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527161 376821298 /nfs/dbraw/zinc/82/12/98/376821298.db2.gz QJBBPWMKJJKXBE-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000290527161 376821304 /nfs/dbraw/zinc/82/13/04/376821304.db2.gz QJBBPWMKJJKXBE-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290527161 376821310 /nfs/dbraw/zinc/82/13/10/376821310.db2.gz QJBBPWMKJJKXBE-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP COc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1C#N ZINC000423131497 377030417 /nfs/dbraw/zinc/03/04/17/377030417.db2.gz ZXRBBNCYQDIBCY-IUODEOHRSA-N 2 2 273.380 2.187 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)CC ZINC000564316696 377373136 /nfs/dbraw/zinc/37/31/36/377373136.db2.gz AIUAVQJYNMYVRP-QGZVFWFLSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)CC ZINC000564316696 377373140 /nfs/dbraw/zinc/37/31/40/377373140.db2.gz AIUAVQJYNMYVRP-QGZVFWFLSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)CC ZINC000564316696 377373146 /nfs/dbraw/zinc/37/31/46/377373146.db2.gz AIUAVQJYNMYVRP-QGZVFWFLSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)CC ZINC000564316696 377373149 /nfs/dbraw/zinc/37/31/49/377373149.db2.gz AIUAVQJYNMYVRP-QGZVFWFLSA-N 2 2 289.423 2.083 20 30 CEEDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1 ZINC000313246840 249388270 /nfs/dbraw/zinc/38/82/70/249388270.db2.gz AREVVAXNTIFAOF-GFCCVEGCSA-N 2 2 254.337 2.185 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446826173 378086067 /nfs/dbraw/zinc/08/60/67/378086067.db2.gz MNZNFXZABACVLL-INIZCTEOSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449485566 378213767 /nfs/dbraw/zinc/21/37/67/378213767.db2.gz NVLNPIAAKQSHEW-UHFFFAOYSA-N 2 2 282.428 2.206 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000268131169 190379392 /nfs/dbraw/zinc/37/93/92/190379392.db2.gz PTQFSKVTPZBGRR-MLGOLLRUSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000268131169 190379393 /nfs/dbraw/zinc/37/93/93/190379393.db2.gz PTQFSKVTPZBGRR-MLGOLLRUSA-N 2 2 285.391 2.139 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000529538089 380179225 /nfs/dbraw/zinc/17/92/25/380179225.db2.gz KHWABYDZZYJOAI-UHFFFAOYSA-N 2 2 263.360 2.351 20 30 CEEDLP CC(C)[N@@H+](C)C[C@@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000356238042 394568622 /nfs/dbraw/zinc/56/86/22/394568622.db2.gz LTZVVMZSDUYHOT-CYBMUJFWSA-N 2 2 285.395 2.024 20 30 CEEDLP CC(C)[N@H+](C)C[C@@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000356238042 394568625 /nfs/dbraw/zinc/56/86/25/394568625.db2.gz LTZVVMZSDUYHOT-CYBMUJFWSA-N 2 2 285.395 2.024 20 30 CEEDLP CC1=CC[N@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329539199 394570631 /nfs/dbraw/zinc/57/06/31/394570631.db2.gz CICMUQQWNRJMBH-CQSZACIVSA-N 2 2 288.395 2.054 20 30 CEEDLP CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329539199 394570633 /nfs/dbraw/zinc/57/06/33/394570633.db2.gz CICMUQQWNRJMBH-CQSZACIVSA-N 2 2 288.395 2.054 20 30 CEEDLP Cc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333586868 394648984 /nfs/dbraw/zinc/64/89/84/394648984.db2.gz ONNZRVOCDBECRI-KBPBESRZSA-N 2 2 270.380 2.088 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCSC1 ZINC000361432524 394828889 /nfs/dbraw/zinc/82/88/89/394828889.db2.gz PIOWDPULKLJTMX-MJBXVCDLSA-N 2 2 267.442 2.096 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1F ZINC000423392639 394912625 /nfs/dbraw/zinc/91/26/25/394912625.db2.gz XXDACDRAWXUZOG-NQBHXWOUSA-N 2 2 261.344 2.488 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000282244657 394914979 /nfs/dbraw/zinc/91/49/79/394914979.db2.gz JFWAKWOIOKYULI-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000282244657 394914982 /nfs/dbraw/zinc/91/49/82/394914982.db2.gz JFWAKWOIOKYULI-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000282244657 394914987 /nfs/dbraw/zinc/91/49/87/394914987.db2.gz JFWAKWOIOKYULI-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000282244657 394914993 /nfs/dbraw/zinc/91/49/93/394914993.db2.gz JFWAKWOIOKYULI-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP Cc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)c(C#N)c[nH+]1 ZINC000425221709 395051730 /nfs/dbraw/zinc/05/17/30/395051730.db2.gz FSEZRVMNBOXKEG-UHFFFAOYSA-N 2 2 298.365 2.496 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000373342064 395059625 /nfs/dbraw/zinc/05/96/25/395059625.db2.gz UXFSRWQIPVXUMR-MRXNPFEDSA-N 2 2 298.430 2.353 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000373342064 395059627 /nfs/dbraw/zinc/05/96/27/395059627.db2.gz UXFSRWQIPVXUMR-MRXNPFEDSA-N 2 2 298.430 2.353 20 30 CEEDLP C#C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000289324150 395074400 /nfs/dbraw/zinc/07/44/00/395074400.db2.gz GALFTGQCYCTPKO-AWEZNQCLSA-N 2 2 274.383 2.444 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000346142133 395088774 /nfs/dbraw/zinc/08/87/74/395088774.db2.gz OQGRNIDGGHFRFL-GFCCVEGCSA-N 2 2 269.352 2.310 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)CC#N ZINC000346142133 395088777 /nfs/dbraw/zinc/08/87/77/395088777.db2.gz OQGRNIDGGHFRFL-GFCCVEGCSA-N 2 2 269.352 2.310 20 30 CEEDLP CC[N@H+](CCC#N)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346201892 395091222 /nfs/dbraw/zinc/09/12/22/395091222.db2.gz HTBINKDLUGLUSF-UHFFFAOYSA-N 2 2 269.352 2.311 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346201892 395091223 /nfs/dbraw/zinc/09/12/23/395091223.db2.gz HTBINKDLUGLUSF-UHFFFAOYSA-N 2 2 269.352 2.311 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)CCC#N)CC2)c1 ZINC000411329154 395326405 /nfs/dbraw/zinc/32/64/05/395326405.db2.gz QMMYHPFXRWMTLH-CQSZACIVSA-N 2 2 258.369 2.204 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000352921050 395276952 /nfs/dbraw/zinc/27/69/52/395276952.db2.gz FFHKKPKLDDEIKA-CJNGLKHVSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000352921050 395276954 /nfs/dbraw/zinc/27/69/54/395276954.db2.gz FFHKKPKLDDEIKA-CJNGLKHVSA-N 2 2 260.381 2.291 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192057809 395371510 /nfs/dbraw/zinc/37/15/10/395371510.db2.gz KUVQQECACGQNHA-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192057809 395371513 /nfs/dbraw/zinc/37/15/13/395371513.db2.gz KUVQQECACGQNHA-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192057809 395371514 /nfs/dbraw/zinc/37/15/14/395371514.db2.gz KUVQQECACGQNHA-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192057809 395371517 /nfs/dbraw/zinc/37/15/17/395371517.db2.gz KUVQQECACGQNHA-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443985224 395408465 /nfs/dbraw/zinc/40/84/65/395408465.db2.gz YYHQLDSWSHKGBR-UHFFFAOYSA-N 2 2 257.381 2.441 20 30 CEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000181782233 400289992 /nfs/dbraw/zinc/28/99/92/400289992.db2.gz WFSGSBIIZFDFNW-LSDHHAIUSA-N 2 2 287.407 2.177 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000191448982 153173583 /nfs/dbraw/zinc/17/35/83/153173583.db2.gz DIASQCCYPYGANH-QAPCUYQASA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000191448982 153173586 /nfs/dbraw/zinc/17/35/86/153173586.db2.gz DIASQCCYPYGANH-QAPCUYQASA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000191448982 153173587 /nfs/dbraw/zinc/17/35/87/153173587.db2.gz DIASQCCYPYGANH-QAPCUYQASA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000191448982 153173590 /nfs/dbraw/zinc/17/35/90/153173590.db2.gz DIASQCCYPYGANH-QAPCUYQASA-N 2 2 298.434 2.345 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657353966 414880687 /nfs/dbraw/zinc/88/06/87/414880687.db2.gz XNUMGHNRWBIIMH-UHFFFAOYSA-N 2 2 274.412 2.033 20 30 CEEDLP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000185790609 262071489 /nfs/dbraw/zinc/07/14/89/262071489.db2.gz VEZSAJOTMAMSJJ-CABCVRRESA-N 2 2 299.422 2.328 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365609561 262373919 /nfs/dbraw/zinc/37/39/19/262373919.db2.gz ALLQWRCNHGHXOP-CQSZACIVSA-N 2 2 251.333 2.038 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365609561 262373921 /nfs/dbraw/zinc/37/39/21/262373921.db2.gz ALLQWRCNHGHXOP-CQSZACIVSA-N 2 2 251.333 2.038 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccco1 ZINC000273331195 263015545 /nfs/dbraw/zinc/01/55/45/263015545.db2.gz JTHYADWGYKTABV-CYBMUJFWSA-N 2 2 278.400 2.071 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414908909 263115271 /nfs/dbraw/zinc/11/52/71/263115271.db2.gz BODWACFQLHJWNF-CZUORRHYSA-N 2 2 260.381 2.339 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368221858 267154106 /nfs/dbraw/zinc/15/41/06/267154106.db2.gz JJMTWCKUEWOOKI-HNNXBMFYSA-N 2 2 295.386 2.459 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368221858 267154109 /nfs/dbraw/zinc/15/41/09/267154109.db2.gz JJMTWCKUEWOOKI-HNNXBMFYSA-N 2 2 295.386 2.459 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000368641001 267193822 /nfs/dbraw/zinc/19/38/22/267193822.db2.gz BYKPQEMQVURKRX-UKRRQHHQSA-N 2 2 281.363 2.439 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000295121390 275380579 /nfs/dbraw/zinc/38/05/79/275380579.db2.gz YRRJQVZYIZNIJR-OAHLLOKOSA-N 2 2 278.346 2.497 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000295121390 275380582 /nfs/dbraw/zinc/38/05/82/275380582.db2.gz YRRJQVZYIZNIJR-OAHLLOKOSA-N 2 2 278.346 2.497 20 30 CEEDLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C#N)cc1 ZINC000070143218 278359777 /nfs/dbraw/zinc/35/97/77/278359777.db2.gz AQWDJHDWXLXNLP-GFCCVEGCSA-N 2 2 283.379 2.209 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249281926 280390753 /nfs/dbraw/zinc/39/07/53/280390753.db2.gz NUGPNIRIWNTVPQ-RDJZCZTQSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249281926 280390755 /nfs/dbraw/zinc/39/07/55/280390755.db2.gz NUGPNIRIWNTVPQ-RDJZCZTQSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377622750 329021416 /nfs/dbraw/zinc/02/14/16/329021416.db2.gz IONHZRMFJIRVAS-AWEZNQCLSA-N 2 2 285.391 2.257 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377622750 329021418 /nfs/dbraw/zinc/02/14/18/329021418.db2.gz IONHZRMFJIRVAS-AWEZNQCLSA-N 2 2 285.391 2.257 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182640437 329243728 /nfs/dbraw/zinc/24/37/28/329243728.db2.gz HAVRTGLCGOBMRP-CYBMUJFWSA-N 2 2 282.428 2.347 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000584387564 329317379 /nfs/dbraw/zinc/31/73/79/329317379.db2.gz QKKIKAYHAIJPRH-UHFFFAOYSA-N 2 2 275.318 2.297 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245971036 329763437 /nfs/dbraw/zinc/76/34/37/329763437.db2.gz ZRBIDSCBUPOPJT-ARFHVFGLSA-N 2 2 278.440 2.430 20 30 CEEDLP CCc1[nH+]c2cc(CNC3=[NH+]CCN3C)ccc2n1C1CC1 ZINC000262672518 330025937 /nfs/dbraw/zinc/02/59/37/330025937.db2.gz RUWXVYBIGYDZCI-UHFFFAOYSA-N 2 2 297.406 2.325 20 30 CEEDLP C=CCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000423168857 330174169 /nfs/dbraw/zinc/17/41/69/330174169.db2.gz YWSXNMBFOFPDQT-JKSUJKDBSA-N 2 2 278.440 2.480 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248481558 334303688 /nfs/dbraw/zinc/30/36/88/334303688.db2.gz BGIGFKVRBOBWFI-UAGQMJEPSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248481558 334303689 /nfs/dbraw/zinc/30/36/89/334303689.db2.gz BGIGFKVRBOBWFI-UAGQMJEPSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248481557 334303811 /nfs/dbraw/zinc/30/38/11/334303811.db2.gz BGIGFKVRBOBWFI-OIISXLGYSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248481557 334303812 /nfs/dbraw/zinc/30/38/12/334303812.db2.gz BGIGFKVRBOBWFI-OIISXLGYSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000183272267 518860814 /nfs/dbraw/zinc/86/08/14/518860814.db2.gz KEGNOCBJRXWACN-OAHLLOKOSA-N 2 2 274.412 2.111 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353987299 527423951 /nfs/dbraw/zinc/42/39/51/527423951.db2.gz OPQBVYMFWSGFQA-WZYMTQMTSA-N 2 2 293.455 2.014 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353987299 527423960 /nfs/dbraw/zinc/42/39/60/527423960.db2.gz OPQBVYMFWSGFQA-WZYMTQMTSA-N 2 2 293.455 2.014 20 30 CEEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926702484 625775616 /nfs/dbraw/zinc/77/56/16/625775616.db2.gz HVBGCACZPWAKOH-HUUCEWRRSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926702484 625775632 /nfs/dbraw/zinc/77/56/32/625775632.db2.gz HVBGCACZPWAKOH-HUUCEWRRSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347395 634586242 /nfs/dbraw/zinc/58/62/42/634586242.db2.gz UBNXJVNYJZPWMU-HNNXBMFYSA-N 3 2 265.445 2.005 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000892881210 627827799 /nfs/dbraw/zinc/82/77/99/627827799.db2.gz RJKLIOANDLFWJX-UHFFFAOYSA-N 2 2 288.439 2.428 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000925815031 628869410 /nfs/dbraw/zinc/86/94/10/628869410.db2.gz SJUWUCVEGIKCRJ-LSDHHAIUSA-N 2 2 261.344 2.447 20 30 CEEDLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902725086 634794973 /nfs/dbraw/zinc/79/49/73/634794973.db2.gz PAYDXTGVGWXTFA-OAHLLOKOSA-N 2 2 254.337 2.496 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000815652329 633044066 /nfs/dbraw/zinc/04/40/66/633044066.db2.gz YPWDIENXLJMHNP-INIZCTEOSA-N 2 2 278.346 2.497 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000815652329 633044071 /nfs/dbraw/zinc/04/40/71/633044071.db2.gz YPWDIENXLJMHNP-INIZCTEOSA-N 2 2 278.346 2.497 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000903100058 634969549 /nfs/dbraw/zinc/96/95/49/634969549.db2.gz ICIOZQMBRPHZAW-GJZGRUSLSA-N 2 2 281.444 2.263 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C1 ZINC000903100058 634969550 /nfs/dbraw/zinc/96/95/50/634969550.db2.gz ICIOZQMBRPHZAW-GJZGRUSLSA-N 2 2 281.444 2.263 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000905096233 635830491 /nfs/dbraw/zinc/83/04/91/635830491.db2.gz KXTKQELTYUNILB-ZDUSSCGKSA-N 2 2 294.361 2.320 20 30 CEEDLP CC(C)(C)NC(NCCCCn1cc[nH+]c1)=[NH+]CC1CC1 ZINC000912507655 638713297 /nfs/dbraw/zinc/71/32/97/638713297.db2.gz ZEDPTYIDJNBGBT-UHFFFAOYSA-N 2 2 291.443 2.407 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848712650 642108636 /nfs/dbraw/zinc/10/86/36/642108636.db2.gz OMALPYQBXWCTCL-UHFFFAOYSA-N 2 2 288.395 2.038 20 30 CEEDLP C#CC[N@H+](C)CCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848712650 642108640 /nfs/dbraw/zinc/10/86/40/642108640.db2.gz OMALPYQBXWCTCL-UHFFFAOYSA-N 2 2 288.395 2.038 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929588 642198918 /nfs/dbraw/zinc/19/89/18/642198918.db2.gz HTEAALTYNIXMIU-IBGZPJMESA-N 2 2 298.430 2.355 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929588 642198922 /nfs/dbraw/zinc/19/89/22/642198922.db2.gz HTEAALTYNIXMIU-IBGZPJMESA-N 2 2 298.430 2.355 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000849003076 642220206 /nfs/dbraw/zinc/22/02/06/642220206.db2.gz AVOKTJVQQYIFOI-ZDUSSCGKSA-N 2 2 280.803 2.243 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921703312 642549488 /nfs/dbraw/zinc/54/94/88/642549488.db2.gz SYWNJWHYTXIXMC-HLLBOEOZSA-N 2 2 278.440 2.432 20 30 CEEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744582 650890765 /nfs/dbraw/zinc/89/07/65/650890765.db2.gz VQLUQAOORMBKQP-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744582 650890767 /nfs/dbraw/zinc/89/07/67/650890767.db2.gz VQLUQAOORMBKQP-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744582 650890771 /nfs/dbraw/zinc/89/07/71/650890771.db2.gz VQLUQAOORMBKQP-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744582 650890775 /nfs/dbraw/zinc/89/07/75/650890775.db2.gz VQLUQAOORMBKQP-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[C@@H](C#N)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000757905134 644855106 /nfs/dbraw/zinc/85/51/06/644855106.db2.gz DLTFLPSZSMGKAB-AWEZNQCLSA-N 2 2 286.423 2.471 20 30 CEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773006488 646694871 /nfs/dbraw/zinc/69/48/71/646694871.db2.gz YRLNKRGMYUUZMA-OCCSQVGLSA-N 2 2 274.836 2.466 20 30 CEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000773006488 646694873 /nfs/dbraw/zinc/69/48/73/646694873.db2.gz YRLNKRGMYUUZMA-OCCSQVGLSA-N 2 2 274.836 2.466 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000865399480 647274045 /nfs/dbraw/zinc/27/40/45/647274045.db2.gz OPEZFYXCAHNTHE-UHFFFAOYSA-N 2 2 283.379 2.001 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N ZINC000872148981 649297302 /nfs/dbraw/zinc/29/73/02/649297302.db2.gz JNDGRSFPWNJWMH-ZIAGYGMSSA-N 2 2 297.324 2.436 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C#N ZINC000872148981 649297304 /nfs/dbraw/zinc/29/73/04/649297304.db2.gz JNDGRSFPWNJWMH-ZIAGYGMSSA-N 2 2 297.324 2.436 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130352 651387212 /nfs/dbraw/zinc/38/72/12/651387212.db2.gz FTDQPALVVCQSGU-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130352 651387214 /nfs/dbraw/zinc/38/72/14/651387214.db2.gz FTDQPALVVCQSGU-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130352 651387216 /nfs/dbraw/zinc/38/72/16/651387216.db2.gz FTDQPALVVCQSGU-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130352 651387217 /nfs/dbraw/zinc/38/72/17/651387217.db2.gz FTDQPALVVCQSGU-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135411 651388768 /nfs/dbraw/zinc/38/87/68/651388768.db2.gz VJRMJDZKHMNYLF-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135411 651388769 /nfs/dbraw/zinc/38/87/69/651388769.db2.gz VJRMJDZKHMNYLF-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000880135411 651388770 /nfs/dbraw/zinc/38/87/70/651388770.db2.gz VJRMJDZKHMNYLF-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000880135411 651388771 /nfs/dbraw/zinc/38/87/71/651388771.db2.gz VJRMJDZKHMNYLF-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C=CCOCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569657 651462108 /nfs/dbraw/zinc/46/21/08/651462108.db2.gz NRIAHYPULONUMX-INIZCTEOSA-N 2 2 271.364 2.417 20 30 CEEDLP C=CCO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370897 815216664 /nfs/dbraw/zinc/21/66/64/815216664.db2.gz JASZLZFKGSCUNO-UONOGXRCSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CCO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370897 815216666 /nfs/dbraw/zinc/21/66/66/815216666.db2.gz JASZLZFKGSCUNO-UONOGXRCSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962439 810240950 /nfs/dbraw/zinc/24/09/50/810240950.db2.gz JXKDQKDYKUBAEM-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962439 810240955 /nfs/dbraw/zinc/24/09/55/810240955.db2.gz JXKDQKDYKUBAEM-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP Cc1[nH+]cn([C@H](C)Cc2ccc(C#N)cc2)c1CC[NH3+] ZINC001172295518 815386534 /nfs/dbraw/zinc/38/65/34/815386534.db2.gz SLYXJVJQOUOVLD-GFCCVEGCSA-N 2 2 268.364 2.368 20 30 CEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC001169116556 811383735 /nfs/dbraw/zinc/38/37/35/811383735.db2.gz RBCRHUDPBRWCAS-XYYAHUGASA-N 2 2 261.394 2.335 20 30 CEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC001169116556 811383748 /nfs/dbraw/zinc/38/37/48/811383748.db2.gz RBCRHUDPBRWCAS-XYYAHUGASA-N 2 2 261.394 2.335 20 30 CEEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCCC#N)CC2)c1 ZINC001172510085 815458744 /nfs/dbraw/zinc/45/87/44/815458744.db2.gz VGDXUQZGIMWVTA-CQSZACIVSA-N 2 2 288.395 2.295 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548244 813285606 /nfs/dbraw/zinc/28/56/06/813285606.db2.gz FSRDDLHMCOYEQP-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548244 813285613 /nfs/dbraw/zinc/28/56/13/813285613.db2.gz FSRDDLHMCOYEQP-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739755 813318886 /nfs/dbraw/zinc/31/88/86/813318886.db2.gz JOAQLWHDUYWNOE-CHWSQXEVSA-N 2 2 298.390 2.073 20 30 CEEDLP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246016789 813661862 /nfs/dbraw/zinc/66/18/62/813661862.db2.gz VIQRUNYAECFFSH-SJORKVTESA-N 2 2 299.503 2.029 20 30 CEEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707045 814311268 /nfs/dbraw/zinc/31/12/68/814311268.db2.gz NFBVLIGGUMSCBY-CABCVRRESA-N 2 2 292.427 2.112 20 30 CEEDLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173593457 815755065 /nfs/dbraw/zinc/75/50/65/815755065.db2.gz JGHRSYKJCYSISO-UHFFFAOYSA-N 2 2 258.369 2.480 20 30 CEEDLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173593457 815755071 /nfs/dbraw/zinc/75/50/71/815755071.db2.gz JGHRSYKJCYSISO-UHFFFAOYSA-N 2 2 258.369 2.480 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501785 816215088 /nfs/dbraw/zinc/21/50/88/816215088.db2.gz FUIUTWHBNADMOD-GJZGRUSLSA-N 2 2 292.427 2.285 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000121132496 365526533 /nfs/dbraw/zinc/52/65/33/365526533.db2.gz MATIKPLBBUXBQD-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000121132496 365526536 /nfs/dbraw/zinc/52/65/36/365526536.db2.gz MATIKPLBBUXBQD-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)CCC#N)CC2)c1 ZINC000602460663 347042304 /nfs/dbraw/zinc/04/23/04/347042304.db2.gz AKDVTXKEZRCLKF-CQSZACIVSA-N 2 2 288.395 2.152 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000602514714 347063554 /nfs/dbraw/zinc/06/35/54/347063554.db2.gz LQDXYZZNLBLOMV-HOTGVXAUSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000602514714 347063557 /nfs/dbraw/zinc/06/35/57/347063557.db2.gz LQDXYZZNLBLOMV-HOTGVXAUSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591577791 345266187 /nfs/dbraw/zinc/26/61/87/345266187.db2.gz GXLUKFXFEFMODT-RISCZKNCSA-N 2 2 261.344 2.490 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000591577310 345266285 /nfs/dbraw/zinc/26/62/85/345266285.db2.gz OJUYSKMTIBTZBT-MRXNPFEDSA-N 2 2 255.365 2.277 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CO1 ZINC000593691504 345521102 /nfs/dbraw/zinc/52/11/02/345521102.db2.gz ATYALBSKFIVWDK-RDTXWAMCSA-N 2 2 299.418 2.290 20 30 CEEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000594438981 345631472 /nfs/dbraw/zinc/63/14/72/345631472.db2.gz RWGPQUHYDVIBJT-AWEZNQCLSA-N 2 2 297.362 2.426 20 30 CEEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595468622 345790278 /nfs/dbraw/zinc/79/02/78/345790278.db2.gz AJRDSUJCRWEDAU-OAHLLOKOSA-N 2 2 279.428 2.113 20 30 CEEDLP CC(C)(C#N)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595468622 345790282 /nfs/dbraw/zinc/79/02/82/345790282.db2.gz AJRDSUJCRWEDAU-OAHLLOKOSA-N 2 2 279.428 2.113 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sccc1OC ZINC000295014116 539497970 /nfs/dbraw/zinc/49/79/70/539497970.db2.gz MYKAMGRKLHTKCE-GFCCVEGCSA-N 2 2 266.410 2.362 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sccc1OC ZINC000295014116 539497974 /nfs/dbraw/zinc/49/79/74/539497974.db2.gz MYKAMGRKLHTKCE-GFCCVEGCSA-N 2 2 266.410 2.362 20 30 CEEDLP C[C@@H](O)C1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000597234218 346156844 /nfs/dbraw/zinc/15/68/44/346156844.db2.gz INDHYDUWEBUHTL-CQSZACIVSA-N 2 2 299.418 2.026 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000599084040 346458092 /nfs/dbraw/zinc/45/80/92/346458092.db2.gz OWARVSDNNSGZNQ-CVEARBPZSA-N 2 2 291.439 2.255 20 30 CEEDLP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1C#N ZINC000600711632 346676033 /nfs/dbraw/zinc/67/60/33/346676033.db2.gz SWRIUADGYFWJBA-UHFFFAOYSA-N 2 2 255.365 2.195 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664481 347131542 /nfs/dbraw/zinc/13/15/42/347131542.db2.gz FDUZYYQNKCSDJK-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664481 347131543 /nfs/dbraw/zinc/13/15/43/347131543.db2.gz FDUZYYQNKCSDJK-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(F)c1C#N ZINC000602664481 347131544 /nfs/dbraw/zinc/13/15/44/347131544.db2.gz FDUZYYQNKCSDJK-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000602664481 347131546 /nfs/dbraw/zinc/13/15/46/347131546.db2.gz FDUZYYQNKCSDJK-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc(OC)c1O ZINC000603512207 347376736 /nfs/dbraw/zinc/37/67/36/347376736.db2.gz XAUVLURKFKACKR-HNNXBMFYSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000603512207 347376740 /nfs/dbraw/zinc/37/67/40/347376740.db2.gz XAUVLURKFKACKR-HNNXBMFYSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc(OC)c1O ZINC000603512208 347376894 /nfs/dbraw/zinc/37/68/94/347376894.db2.gz XAUVLURKFKACKR-OAHLLOKOSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000603512208 347376896 /nfs/dbraw/zinc/37/68/96/347376896.db2.gz XAUVLURKFKACKR-OAHLLOKOSA-N 2 2 290.407 2.313 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000611372136 347770823 /nfs/dbraw/zinc/77/08/23/347770823.db2.gz MIPFAYIOAYUROW-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1C1CC1 ZINC000404674735 233194603 /nfs/dbraw/zinc/19/46/03/233194603.db2.gz FSQCJKDBSBOUEC-BXUZGUMPSA-N 2 2 273.355 2.412 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1C1CC1 ZINC000404674735 233194604 /nfs/dbraw/zinc/19/46/04/233194604.db2.gz FSQCJKDBSBOUEC-BXUZGUMPSA-N 2 2 273.355 2.412 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748956 349232331 /nfs/dbraw/zinc/23/23/31/349232331.db2.gz ZLRQYUPXORWABM-HZMBPMFUSA-N 2 2 263.772 2.251 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748956 349232333 /nfs/dbraw/zinc/23/23/33/349232333.db2.gz ZLRQYUPXORWABM-HZMBPMFUSA-N 2 2 263.772 2.251 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011236 /nfs/dbraw/zinc/01/12/36/350011236.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 3 2 279.472 2.489 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720155 180030837 /nfs/dbraw/zinc/03/08/37/180030837.db2.gz AYIAMRDARNBMDH-HOCLYGCPSA-N 2 2 272.392 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720155 180030839 /nfs/dbraw/zinc/03/08/39/180030839.db2.gz AYIAMRDARNBMDH-HOCLYGCPSA-N 2 2 272.392 2.271 20 30 CEEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086755 350189536 /nfs/dbraw/zinc/18/95/36/350189536.db2.gz UVRQTVLNBVCRMK-XHSDSOJGSA-N 2 2 293.455 2.051 20 30 CEEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086755 350189539 /nfs/dbraw/zinc/18/95/39/350189539.db2.gz UVRQTVLNBVCRMK-XHSDSOJGSA-N 2 2 293.455 2.051 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091960625 180292455 /nfs/dbraw/zinc/29/24/55/180292455.db2.gz NQRUMYIVNHJWJK-DOMZBBRYSA-N 2 2 270.336 2.431 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091960625 180292457 /nfs/dbraw/zinc/29/24/57/180292457.db2.gz NQRUMYIVNHJWJK-DOMZBBRYSA-N 2 2 270.336 2.431 20 30 CEEDLP CCC#C[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088721 350651239 /nfs/dbraw/zinc/65/12/39/350651239.db2.gz KRJFCSURCGJBKS-MRXNPFEDSA-N 2 2 278.440 2.365 20 30 CEEDLP C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152278583 188006305 /nfs/dbraw/zinc/00/63/05/188006305.db2.gz FZYGDCNIIOIRGK-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152278583 188006306 /nfs/dbraw/zinc/00/63/06/188006306.db2.gz FZYGDCNIIOIRGK-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152278583 188006307 /nfs/dbraw/zinc/00/63/07/188006307.db2.gz FZYGDCNIIOIRGK-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152278583 188006309 /nfs/dbraw/zinc/00/63/09/188006309.db2.gz FZYGDCNIIOIRGK-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848831 366406267 /nfs/dbraw/zinc/40/62/67/366406267.db2.gz HZFYHIVIHVVQBF-KDOFPFPSSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@H](CC[NH2+]C[C@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000577948732 366419737 /nfs/dbraw/zinc/41/97/37/366419737.db2.gz XLCOEHUUNGONLD-CABCVRRESA-N 2 2 262.401 2.284 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000578518623 366506407 /nfs/dbraw/zinc/50/64/07/366506407.db2.gz BDSXSIOPXGODCV-AWEZNQCLSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000578518623 366506408 /nfs/dbraw/zinc/50/64/08/366506408.db2.gz BDSXSIOPXGODCV-AWEZNQCLSA-N 2 2 284.338 2.420 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151121036 366622725 /nfs/dbraw/zinc/62/27/25/366622725.db2.gz SXGVCAGKDLANBU-GDBMZVCRSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151121036 366622731 /nfs/dbraw/zinc/62/27/31/366622731.db2.gz SXGVCAGKDLANBU-GDBMZVCRSA-N 2 2 284.403 2.413 20 30 CEEDLP C=C(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000153541411 366736605 /nfs/dbraw/zinc/73/66/05/366736605.db2.gz UQGJADBDDULQAW-UHFFFAOYSA-N 2 2 266.308 2.199 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512768 367855179 /nfs/dbraw/zinc/85/51/79/367855179.db2.gz NLEADTOFOUPVIQ-DYVFJYSZSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512768 367855182 /nfs/dbraw/zinc/85/51/82/367855182.db2.gz NLEADTOFOUPVIQ-DYVFJYSZSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346091884 368541990 /nfs/dbraw/zinc/54/19/90/368541990.db2.gz YREUMXAXCWEKLZ-GFCCVEGCSA-N 2 2 261.344 2.444 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246002014 370898522 /nfs/dbraw/zinc/89/85/22/370898522.db2.gz OZJVNOCTAJAZBP-CABCVRRESA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246002014 370898526 /nfs/dbraw/zinc/89/85/26/370898526.db2.gz OZJVNOCTAJAZBP-CABCVRRESA-N 2 2 273.355 2.414 20 30 CEEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186687567 369019314 /nfs/dbraw/zinc/01/93/14/369019314.db2.gz QUFYBTVDWLEOGD-SFHVURJKSA-N 2 2 299.418 2.049 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(C)CC)nc2)CC1 ZINC000190977501 369664691 /nfs/dbraw/zinc/66/46/91/369664691.db2.gz YNUZBHFAMZMUOS-UHFFFAOYSA-N 2 2 288.439 2.278 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264073875 371963615 /nfs/dbraw/zinc/96/36/15/371963615.db2.gz GRCWDSGCAVBVFN-CQSZACIVSA-N 2 2 280.391 2.133 20 30 CEEDLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000344288014 217134124 /nfs/dbraw/zinc/13/41/24/217134124.db2.gz JMYXVKDMIIIRQU-LSDHHAIUSA-N 2 2 287.407 2.320 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613432 373168269 /nfs/dbraw/zinc/16/82/69/373168269.db2.gz FNHXZXSCENXGGJ-KZNAEPCWSA-N 3 2 291.483 2.489 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613432 373168276 /nfs/dbraw/zinc/16/82/76/373168276.db2.gz FNHXZXSCENXGGJ-KZNAEPCWSA-N 3 2 291.483 2.489 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692017 373616983 /nfs/dbraw/zinc/61/69/83/373616983.db2.gz XFPFRJOZQBLOMY-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692017 373616992 /nfs/dbraw/zinc/61/69/92/373616992.db2.gz XFPFRJOZQBLOMY-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692017 373616995 /nfs/dbraw/zinc/61/69/95/373616995.db2.gz XFPFRJOZQBLOMY-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692017 373617002 /nfs/dbraw/zinc/61/70/02/373617002.db2.gz XFPFRJOZQBLOMY-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000371642887 373939372 /nfs/dbraw/zinc/93/93/72/373939372.db2.gz RPOHBXMHIJJDKO-RDJZCZTQSA-N 2 2 274.408 2.299 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000371642887 373939377 /nfs/dbraw/zinc/93/93/77/373939377.db2.gz RPOHBXMHIJJDKO-RDJZCZTQSA-N 2 2 274.408 2.299 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000371882610 373998098 /nfs/dbraw/zinc/99/80/98/373998098.db2.gz CWDVYWAHJXWSLE-NSHDSACASA-N 2 2 272.377 2.229 20 30 CEEDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000377015888 374774610 /nfs/dbraw/zinc/77/46/10/374774610.db2.gz TYRQRIWLVQNSHF-CQSZACIVSA-N 2 2 286.423 2.345 20 30 CEEDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000377015888 374774612 /nfs/dbraw/zinc/77/46/12/374774612.db2.gz TYRQRIWLVQNSHF-CQSZACIVSA-N 2 2 286.423 2.345 20 30 CEEDLP C[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000334328211 206378360 /nfs/dbraw/zinc/37/83/60/206378360.db2.gz HXQRAXLSAMBAKX-UHFFFAOYSA-N 2 2 255.365 2.231 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000558508408 376616333 /nfs/dbraw/zinc/61/63/33/376616333.db2.gz FSWGTDZROLEEMI-GDBMZVCRSA-N 2 2 278.359 2.347 20 30 CEEDLP C=CC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915901 376735733 /nfs/dbraw/zinc/73/57/33/376735733.db2.gz GLIAJXCFFCBKEZ-UHFFFAOYSA-N 2 2 260.381 2.137 20 30 CEEDLP C=CC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915901 376735740 /nfs/dbraw/zinc/73/57/40/376735740.db2.gz GLIAJXCFFCBKEZ-UHFFFAOYSA-N 2 2 260.381 2.137 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000314568522 376776710 /nfs/dbraw/zinc/77/67/10/376776710.db2.gz MOEJXZOUPNYAKK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000314568522 376776717 /nfs/dbraw/zinc/77/67/17/376776717.db2.gz MOEJXZOUPNYAKK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000314568522 376776722 /nfs/dbraw/zinc/77/67/22/376776722.db2.gz MOEJXZOUPNYAKK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000314568522 376776726 /nfs/dbraw/zinc/77/67/26/376776726.db2.gz MOEJXZOUPNYAKK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305026 /nfs/dbraw/zinc/30/50/26/377305026.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305036 /nfs/dbraw/zinc/30/50/36/377305036.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305038 /nfs/dbraw/zinc/30/50/38/377305038.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305045 /nfs/dbraw/zinc/30/50/45/377305045.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C=CCCCCC[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431107854 377601942 /nfs/dbraw/zinc/60/19/42/377601942.db2.gz SMXSJOPLHWKTMB-UHFFFAOYSA-N 2 2 266.389 2.442 20 30 CEEDLP C=CCCCCC[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431107854 377601949 /nfs/dbraw/zinc/60/19/49/377601949.db2.gz SMXSJOPLHWKTMB-UHFFFAOYSA-N 2 2 266.389 2.442 20 30 CEEDLP C=CC[NH+]1CCC(Nc2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443496335 378055727 /nfs/dbraw/zinc/05/57/27/378055727.db2.gz BCEKJAROAGLBBA-UHFFFAOYSA-N 2 2 288.370 2.197 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393683 378211351 /nfs/dbraw/zinc/21/13/51/378211351.db2.gz MRSPKMWDNKGIHD-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393683 378211357 /nfs/dbraw/zinc/21/13/57/378211357.db2.gz MRSPKMWDNKGIHD-CABCVRRESA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000515433721 379218132 /nfs/dbraw/zinc/21/81/32/379218132.db2.gz YXRMDXGEUSHGRQ-UHFFFAOYSA-N 2 2 260.381 2.434 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000516469702 379281552 /nfs/dbraw/zinc/28/15/52/379281552.db2.gz KVPMWULWOLOOEZ-CJNGLKHVSA-N 2 2 257.381 2.373 20 30 CEEDLP C=C(Cl)CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262015874 394612403 /nfs/dbraw/zinc/61/24/03/394612403.db2.gz XTTAFCIMTWVCNI-AAEUAGOBSA-N 2 2 295.818 2.094 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147438 394689612 /nfs/dbraw/zinc/68/96/12/394689612.db2.gz VNHMDICLROJURQ-WBMJQRKESA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147438 394689616 /nfs/dbraw/zinc/68/96/16/394689616.db2.gz VNHMDICLROJURQ-WBMJQRKESA-N 2 2 255.365 2.131 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336560057 394864403 /nfs/dbraw/zinc/86/44/03/394864403.db2.gz LUTIUIOXSOVTRQ-HOCLYGCPSA-N 2 2 255.365 2.229 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336560057 394864407 /nfs/dbraw/zinc/86/44/07/394864407.db2.gz LUTIUIOXSOVTRQ-HOCLYGCPSA-N 2 2 255.365 2.229 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1C#N ZINC000130362484 394886779 /nfs/dbraw/zinc/88/67/79/394886779.db2.gz WFCQZYQAPYCOFJ-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1C#N ZINC000130362484 394886783 /nfs/dbraw/zinc/88/67/83/394886783.db2.gz WFCQZYQAPYCOFJ-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000286084775 395010451 /nfs/dbraw/zinc/01/04/51/395010451.db2.gz MLNVSIUSNJLBGJ-LSDHHAIUSA-N 2 2 278.396 2.333 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989632 395050866 /nfs/dbraw/zinc/05/08/66/395050866.db2.gz LJKWRQGGLAZZSS-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989632 395050869 /nfs/dbraw/zinc/05/08/69/395050869.db2.gz LJKWRQGGLAZZSS-CVEARBPZSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989634 395051080 /nfs/dbraw/zinc/05/10/80/395051080.db2.gz LJKWRQGGLAZZSS-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989634 395051083 /nfs/dbraw/zinc/05/10/83/395051083.db2.gz LJKWRQGGLAZZSS-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289784856 395086263 /nfs/dbraw/zinc/08/62/63/395086263.db2.gz MWUKOTJXHMLXJR-OCCSQVGLSA-N 2 2 257.337 2.070 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000346225251 395091782 /nfs/dbraw/zinc/09/17/82/395091782.db2.gz WBLPHJCQDYMEGI-GFCCVEGCSA-N 2 2 269.352 2.167 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000346225251 395091785 /nfs/dbraw/zinc/09/17/85/395091785.db2.gz WBLPHJCQDYMEGI-GFCCVEGCSA-N 2 2 269.352 2.167 20 30 CEEDLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)Cc2ccccc2C1 ZINC000442790853 395394838 /nfs/dbraw/zinc/39/48/38/395394838.db2.gz MJFDOAKWEILUEO-RHSMWYFYSA-N 2 2 283.419 2.367 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530219456 395455279 /nfs/dbraw/zinc/45/52/79/395455279.db2.gz LTUYKCOFRHYOGH-SWLSCSKDSA-N 2 2 255.365 2.493 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413969 395520229 /nfs/dbraw/zinc/52/02/29/395520229.db2.gz KFDQZVAQLNPQLJ-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413969 395520231 /nfs/dbraw/zinc/52/02/31/395520231.db2.gz KFDQZVAQLNPQLJ-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000566413969 395520234 /nfs/dbraw/zinc/52/02/34/395520234.db2.gz KFDQZVAQLNPQLJ-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000566413969 395520236 /nfs/dbraw/zinc/52/02/36/395520236.db2.gz KFDQZVAQLNPQLJ-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000651720224 401377905 /nfs/dbraw/zinc/37/79/05/401377905.db2.gz UBXGMYQIYNZRPM-OAGGEKHMSA-N 2 2 266.429 2.289 20 30 CEEDLP N#Cc1cccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000367587107 156210294 /nfs/dbraw/zinc/21/02/94/156210294.db2.gz HSAXGILMZLVIQU-KRWDZBQOSA-N 2 2 296.374 2.218 20 30 CEEDLP N#Cc1cccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000367587107 156210296 /nfs/dbraw/zinc/21/02/96/156210296.db2.gz HSAXGILMZLVIQU-KRWDZBQOSA-N 2 2 296.374 2.218 20 30 CEEDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000037249470 173061701 /nfs/dbraw/zinc/06/17/01/173061701.db2.gz VQERIKOZEDMHRO-CYBMUJFWSA-N 2 2 254.337 2.496 20 30 CEEDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000037249468 173061925 /nfs/dbraw/zinc/06/19/25/173061925.db2.gz VQERIKOZEDMHRO-ZDUSSCGKSA-N 2 2 254.337 2.496 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)nn1 ZINC000657317575 414855459 /nfs/dbraw/zinc/85/54/59/414855459.db2.gz ZINFHXPDFZOYIQ-OAHLLOKOSA-N 2 2 291.443 2.066 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)nn1 ZINC000657348464 414877239 /nfs/dbraw/zinc/87/72/39/414877239.db2.gz WXQDJACUMWJJBJ-HNNXBMFYSA-N 2 2 291.443 2.064 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)nn1 ZINC000657348464 414877246 /nfs/dbraw/zinc/87/72/46/414877246.db2.gz WXQDJACUMWJJBJ-HNNXBMFYSA-N 2 2 291.443 2.064 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657352257 414879260 /nfs/dbraw/zinc/87/92/60/414879260.db2.gz HIDIPJYSJJEGMY-UHFFFAOYSA-N 2 2 289.427 2.133 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657352235 414879706 /nfs/dbraw/zinc/87/97/06/414879706.db2.gz GKQFEXSZXAIZCF-UHFFFAOYSA-N 2 2 274.412 2.038 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655713279 415403331 /nfs/dbraw/zinc/40/33/31/415403331.db2.gz WZLGJBPQMGKBQF-OAHLLOKOSA-N 2 2 274.412 2.348 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665230412 415632065 /nfs/dbraw/zinc/63/20/65/415632065.db2.gz OGFSNUKSEGJRDR-JJXSEGSLSA-N 2 2 266.429 2.478 20 30 CEEDLP Cn1c[nH+]cc1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000330036487 228023166 /nfs/dbraw/zinc/02/31/66/228023166.db2.gz YGRWSJNFOZNTAM-UHFFFAOYSA-N 2 2 292.427 2.430 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000192654415 262207215 /nfs/dbraw/zinc/20/72/15/262207215.db2.gz AHEPBTJTFNSTHQ-DZGCQCFKSA-N 2 2 281.363 2.439 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340514055 263182764 /nfs/dbraw/zinc/18/27/64/263182764.db2.gz XQAKKCMZWGDWRZ-YJBOKZPZSA-N 2 2 288.435 2.350 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340514055 263182766 /nfs/dbraw/zinc/18/27/66/263182766.db2.gz XQAKKCMZWGDWRZ-YJBOKZPZSA-N 2 2 288.435 2.350 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000341279874 263330018 /nfs/dbraw/zinc/33/00/18/263330018.db2.gz SXSBBZRHWBIMBI-BPQIPLTHSA-N 2 2 288.435 2.281 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000341279874 263330021 /nfs/dbraw/zinc/33/00/21/263330021.db2.gz SXSBBZRHWBIMBI-BPQIPLTHSA-N 2 2 288.435 2.281 20 30 CEEDLP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C#N)[NH2+][C@H]1CCC[C@H]1C#N ZINC000332269446 278173974 /nfs/dbraw/zinc/17/39/74/278173974.db2.gz CDVRPFNUGRWVQX-LJIZCISZSA-N 2 2 274.412 2.329 20 30 CEEDLP C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCOCC1 ZINC000353255106 278287244 /nfs/dbraw/zinc/28/72/44/278287244.db2.gz NPBVCPQWMWAAAV-KSSFIOAISA-N 2 2 299.418 2.103 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000547979516 313552210 /nfs/dbraw/zinc/55/22/10/313552210.db2.gz DYZTXXXMZSLOHB-WFASDCNBSA-N 2 2 266.348 2.420 20 30 CEEDLP CSCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267038647 328172143 /nfs/dbraw/zinc/17/21/43/328172143.db2.gz YDMXNVFKMUNBKZ-UHFFFAOYSA-N 2 2 281.425 2.138 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)c1 ZINC000414946188 328279166 /nfs/dbraw/zinc/27/91/66/328279166.db2.gz RWKIQBHDNGZTMH-KRWDZBQOSA-N 2 2 290.407 2.110 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422983460 330162815 /nfs/dbraw/zinc/16/28/15/330162815.db2.gz ZOQAQIIQSZANDJ-ZDUSSCGKSA-N 3 2 274.412 2.185 20 30 CEEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689157 332286711 /nfs/dbraw/zinc/28/67/11/332286711.db2.gz GVMCMMFURVHGPC-MJGOQNOKSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689157 332286712 /nfs/dbraw/zinc/28/67/12/332286712.db2.gz GVMCMMFURVHGPC-MJGOQNOKSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689157 332286713 /nfs/dbraw/zinc/28/67/13/332286713.db2.gz GVMCMMFURVHGPC-MJGOQNOKSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689157 332286714 /nfs/dbraw/zinc/28/67/14/332286714.db2.gz GVMCMMFURVHGPC-MJGOQNOKSA-N 2 2 298.430 2.064 20 30 CEEDLP C[C@@H]([NH2+]CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000566110428 334624205 /nfs/dbraw/zinc/62/42/05/334624205.db2.gz INTYREJGFOKNLC-CYBMUJFWSA-N 2 2 290.386 2.142 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000156670706 521722485 /nfs/dbraw/zinc/72/24/85/521722485.db2.gz BSDXUMZSPQLRMX-SQNIBIBYSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000156670706 521722487 /nfs/dbraw/zinc/72/24/87/521722487.db2.gz BSDXUMZSPQLRMX-SQNIBIBYSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000156670706 521722488 /nfs/dbraw/zinc/72/24/88/521722488.db2.gz BSDXUMZSPQLRMX-SQNIBIBYSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000156670706 521722489 /nfs/dbraw/zinc/72/24/89/521722489.db2.gz BSDXUMZSPQLRMX-SQNIBIBYSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000067500521 524740040 /nfs/dbraw/zinc/74/00/40/524740040.db2.gz PCTOZZRFKGVTIC-ZDUSSCGKSA-N 2 2 254.337 2.181 20 30 CEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)CCC2 ZINC000365131844 525937471 /nfs/dbraw/zinc/93/74/71/525937471.db2.gz BKUMYOUCERJJRD-CQSZACIVSA-N 2 2 283.379 2.069 20 30 CEEDLP C=CCC[NH+]1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950628516 613479773 /nfs/dbraw/zinc/47/97/73/613479773.db2.gz ZOUHUUPUTOFANA-UHFFFAOYSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924986417 629322874 /nfs/dbraw/zinc/32/28/74/629322874.db2.gz MAGPSAZAIFRCCX-CYBMUJFWSA-N 2 2 260.385 2.168 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000986427786 631239524 /nfs/dbraw/zinc/23/95/24/631239524.db2.gz UKCKUWQZEOXFGW-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+](C)C ZINC000926957359 632384279 /nfs/dbraw/zinc/38/42/79/632384279.db2.gz AIHWPRQQTOGPGQ-SWLSCSKDSA-N 2 2 293.386 2.315 20 30 CEEDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+](C)C ZINC000926957360 632384684 /nfs/dbraw/zinc/38/46/84/632384684.db2.gz AIHWPRQQTOGPGQ-WFASDCNBSA-N 2 2 293.386 2.315 20 30 CEEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819078307 634062105 /nfs/dbraw/zinc/06/21/05/634062105.db2.gz IOFRZCNASQCMNH-SJORKVTESA-N 2 2 287.407 2.056 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccnc1 ZINC000903380749 635093260 /nfs/dbraw/zinc/09/32/60/635093260.db2.gz OTIHBJBSJFRIKR-BMFZPTHFSA-N 2 2 272.396 2.356 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000171562847 639722974 /nfs/dbraw/zinc/72/29/74/639722974.db2.gz PFDDAXCERFQILV-AWEZNQCLSA-N 2 2 273.380 2.163 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579706 641572061 /nfs/dbraw/zinc/57/20/61/641572061.db2.gz JCJMSFQGWYRVST-DZGCQCFKSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579706 641572064 /nfs/dbraw/zinc/57/20/64/641572064.db2.gz JCJMSFQGWYRVST-DZGCQCFKSA-N 2 2 273.380 2.334 20 30 CEEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000851900650 643215273 /nfs/dbraw/zinc/21/52/73/643215273.db2.gz GMFRPOAVCUKXAW-SJORKVTESA-N 2 2 274.408 2.042 20 30 CEEDLP C#CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000851900650 643215277 /nfs/dbraw/zinc/21/52/77/643215277.db2.gz GMFRPOAVCUKXAW-SJORKVTESA-N 2 2 274.408 2.042 20 30 CEEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877653198 650834636 /nfs/dbraw/zinc/83/46/36/650834636.db2.gz BQZZZOCIQGVIIO-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877653198 650834639 /nfs/dbraw/zinc/83/46/39/650834639.db2.gz BQZZZOCIQGVIIO-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000775574228 646968449 /nfs/dbraw/zinc/96/84/49/646968449.db2.gz OKJYGDGHWUEYPS-CABCVRRESA-N 2 2 264.413 2.020 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000779063739 647284649 /nfs/dbraw/zinc/28/46/49/647284649.db2.gz DJAHHOGDCBRAJA-DZGCQCFKSA-N 2 2 296.374 2.451 20 30 CEEDLP C[C@H]1C[NH+]=C(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)N1 ZINC000779795946 647355202 /nfs/dbraw/zinc/35/52/02/647355202.db2.gz ZKAMBBBXFURMST-GCMNNUBYSA-N 2 2 297.406 2.221 20 30 CEEDLP C[C@H](C#N)OCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569870 651462014 /nfs/dbraw/zinc/46/20/14/651462014.db2.gz QZFHVSRKYLZTQJ-ZBFHGGJFSA-N 2 2 284.363 2.143 20 30 CEEDLP C=C(C)C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001266597269 802754902 /nfs/dbraw/zinc/75/49/02/802754902.db2.gz XVNQQXLGCNNEPZ-UHFFFAOYSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001266597269 802754907 /nfs/dbraw/zinc/75/49/07/802754907.db2.gz XVNQQXLGCNNEPZ-UHFFFAOYSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001269438244 805164443 /nfs/dbraw/zinc/16/44/43/805164443.db2.gz QAYRMPDJUPFIBC-ZDUSSCGKSA-N 2 2 286.379 2.008 20 30 CEEDLP C=CCO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370898 815217439 /nfs/dbraw/zinc/21/74/39/815217439.db2.gz JASZLZFKGSCUNO-ZIAGYGMSSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CCO[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370898 815217443 /nfs/dbraw/zinc/21/74/43/815217443.db2.gz JASZLZFKGSCUNO-ZIAGYGMSSA-N 2 2 254.418 2.417 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118881 815306789 /nfs/dbraw/zinc/30/67/89/815306789.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118881 815306795 /nfs/dbraw/zinc/30/67/95/815306795.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118881 815306801 /nfs/dbraw/zinc/30/68/01/815306801.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118881 815306807 /nfs/dbraw/zinc/30/68/07/815306807.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118881 815306813 /nfs/dbraw/zinc/30/68/13/815306813.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118881 815306818 /nfs/dbraw/zinc/30/68/18/815306818.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118881 815306825 /nfs/dbraw/zinc/30/68/25/815306825.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118881 815306830 /nfs/dbraw/zinc/30/68/30/815306830.db2.gz RCNPMPFJIGOJCP-LXTVHRRPSA-N 2 2 292.448 2.276 20 30 CEEDLP COCCC[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC001172243448 815356206 /nfs/dbraw/zinc/35/62/06/815356206.db2.gz LSDOROJCERGPRI-UHFFFAOYSA-N 2 2 279.428 2.161 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000385587235 813140422 /nfs/dbraw/zinc/14/04/22/813140422.db2.gz HGYFBSOGDUPRCG-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000385587235 813140426 /nfs/dbraw/zinc/14/04/26/813140426.db2.gz HGYFBSOGDUPRCG-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(F)c1F ZINC000385859230 813146963 /nfs/dbraw/zinc/14/69/63/813146963.db2.gz WNLCSVVXVMOTOU-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1F ZINC000385859230 813146967 /nfs/dbraw/zinc/14/69/67/813146967.db2.gz WNLCSVVXVMOTOU-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548245 813286377 /nfs/dbraw/zinc/28/63/77/813286377.db2.gz FSRDDLHMCOYEQP-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548245 813286379 /nfs/dbraw/zinc/28/63/79/813286379.db2.gz FSRDDLHMCOYEQP-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1O ZINC001246102206 813693393 /nfs/dbraw/zinc/69/33/93/813693393.db2.gz RPRXRKMCGSUUNM-ZNMIVQPWSA-N 2 2 256.434 2.438 20 30 CEEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707048 814310674 /nfs/dbraw/zinc/31/06/74/814310674.db2.gz NFBVLIGGUMSCBY-LSDHHAIUSA-N 2 2 292.427 2.112 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206209221 815792005 /nfs/dbraw/zinc/79/20/05/815792005.db2.gz CRSNNSUQYJZVGE-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206209221 815792009 /nfs/dbraw/zinc/79/20/09/815792009.db2.gz CRSNNSUQYJZVGE-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579838 816038217 /nfs/dbraw/zinc/03/82/17/816038217.db2.gz CDVCOAOJLDFXLT-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP C=CC[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139762983 816108720 /nfs/dbraw/zinc/10/87/20/816108720.db2.gz DPLRUBYJTIVMMJ-UHFFFAOYSA-N 2 2 290.407 2.015 20 30 CEEDLP C=CC[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139762983 816108723 /nfs/dbraw/zinc/10/87/23/816108723.db2.gz DPLRUBYJTIVMMJ-UHFFFAOYSA-N 2 2 290.407 2.015 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333111 346823067 /nfs/dbraw/zinc/82/30/67/346823067.db2.gz AJOKGJJFOFZTEI-GOEBONIOSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333111 346823070 /nfs/dbraw/zinc/82/30/70/346823070.db2.gz AJOKGJJFOFZTEI-GOEBONIOSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996575 361879995 /nfs/dbraw/zinc/87/99/95/361879995.db2.gz OATLZACSWJMGIV-JKSUJKDBSA-N 2 2 255.365 2.275 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996575 361879999 /nfs/dbraw/zinc/87/99/99/361879999.db2.gz OATLZACSWJMGIV-JKSUJKDBSA-N 2 2 255.365 2.275 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860613 343870036 /nfs/dbraw/zinc/87/00/36/343870036.db2.gz GRCRCSCYAXJGEM-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860613 343870038 /nfs/dbraw/zinc/87/00/38/343870038.db2.gz GRCRCSCYAXJGEM-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860613 343870039 /nfs/dbraw/zinc/87/00/39/343870039.db2.gz GRCRCSCYAXJGEM-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860613 343870041 /nfs/dbraw/zinc/87/00/41/343870041.db2.gz GRCRCSCYAXJGEM-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP N#Cc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351567754 219129193 /nfs/dbraw/zinc/12/91/93/219129193.db2.gz IWGCKLCMTVTEER-UHFFFAOYSA-N 2 2 289.342 2.232 20 30 CEEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602502096 347059370 /nfs/dbraw/zinc/05/93/70/347059370.db2.gz IGHQPLXUDSSEJS-AWEZNQCLSA-N 2 2 272.396 2.307 20 30 CEEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602502096 347059371 /nfs/dbraw/zinc/05/93/71/347059371.db2.gz IGHQPLXUDSSEJS-AWEZNQCLSA-N 2 2 272.396 2.307 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000237844603 344604664 /nfs/dbraw/zinc/60/46/64/344604664.db2.gz TYNBQDKTPOCPAT-UHFFFAOYSA-N 2 2 299.422 2.017 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602548615 347072638 /nfs/dbraw/zinc/07/26/38/347072638.db2.gz UGCRFRSRJKAPII-AWEZNQCLSA-N 2 2 281.444 2.405 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000602543444 347071063 /nfs/dbraw/zinc/07/10/63/347071063.db2.gz JJLOYUAPYDRNME-ZIAGYGMSSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000602543444 347071066 /nfs/dbraw/zinc/07/10/66/347071066.db2.gz JJLOYUAPYDRNME-ZIAGYGMSSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000602570967 347082500 /nfs/dbraw/zinc/08/25/00/347082500.db2.gz VMPXSYBMFXKLFN-KFWWJZLASA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000602570967 347082503 /nfs/dbraw/zinc/08/25/03/347082503.db2.gz VMPXSYBMFXKLFN-KFWWJZLASA-N 2 2 291.439 2.300 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000491413928 344911585 /nfs/dbraw/zinc/91/15/85/344911585.db2.gz AHLQCOAJWWERSC-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000491413928 344911586 /nfs/dbraw/zinc/91/15/86/344911586.db2.gz AHLQCOAJWWERSC-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000592083376 345319775 /nfs/dbraw/zinc/31/97/75/345319775.db2.gz OSUYWJPTWGBPEF-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000592083376 345319777 /nfs/dbraw/zinc/31/97/77/345319777.db2.gz OSUYWJPTWGBPEF-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1-c1ccccc1 ZINC000592523087 345366283 /nfs/dbraw/zinc/36/62/83/345366283.db2.gz VOQCYDODSBWNHA-KRWDZBQOSA-N 2 2 296.374 2.031 20 30 CEEDLP Cc1[nH+]cc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1-c1ccccc1 ZINC000592523087 345366286 /nfs/dbraw/zinc/36/62/86/345366286.db2.gz VOQCYDODSBWNHA-KRWDZBQOSA-N 2 2 296.374 2.031 20 30 CEEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923288 345703769 /nfs/dbraw/zinc/70/37/69/345703769.db2.gz IJPMDSVYXLIWIC-INIZCTEOSA-N 2 2 269.392 2.426 20 30 CEEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923288 345703770 /nfs/dbraw/zinc/70/37/70/345703770.db2.gz IJPMDSVYXLIWIC-INIZCTEOSA-N 2 2 269.392 2.426 20 30 CEEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1C#N)C2 ZINC000595508211 345799423 /nfs/dbraw/zinc/79/94/23/345799423.db2.gz VNLFNKHRQIXBNZ-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1C#N)C2 ZINC000595508211 345799425 /nfs/dbraw/zinc/79/94/25/345799425.db2.gz VNLFNKHRQIXBNZ-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1C#N)C2 ZINC000595508211 345799429 /nfs/dbraw/zinc/79/94/29/345799429.db2.gz VNLFNKHRQIXBNZ-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC000595508211 345799430 /nfs/dbraw/zinc/79/94/30/345799430.db2.gz VNLFNKHRQIXBNZ-KRWDZBQOSA-N 2 2 269.392 2.476 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1C#N ZINC000600708488 346675204 /nfs/dbraw/zinc/67/52/04/346675204.db2.gz CYSZGWQZWQGFGL-DVOMOZLQSA-N 2 2 257.381 2.343 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000610995108 347729861 /nfs/dbraw/zinc/72/98/61/347729861.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995108 347729863 /nfs/dbraw/zinc/72/98/63/347729863.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995108 347729867 /nfs/dbraw/zinc/72/98/67/347729867.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807248 349044874 /nfs/dbraw/zinc/04/48/74/349044874.db2.gz TYMNAWOVPTUZCW-HFBAOOFYSA-N 2 2 255.365 2.085 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807248 349044875 /nfs/dbraw/zinc/04/48/75/349044875.db2.gz TYMNAWOVPTUZCW-HFBAOOFYSA-N 2 2 255.365 2.085 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623889167 350135133 /nfs/dbraw/zinc/13/51/33/350135133.db2.gz GDPCMLXDBDTBBT-UKRRQHHQSA-N 2 2 252.402 2.184 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000091666401 180222643 /nfs/dbraw/zinc/22/26/43/180222643.db2.gz HEIRMWHGYUHUAG-IAOVAPTHSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000091666401 180222644 /nfs/dbraw/zinc/22/26/44/180222644.db2.gz HEIRMWHGYUHUAG-IAOVAPTHSA-N 2 2 285.391 2.072 20 30 CEEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000092165508 180336755 /nfs/dbraw/zinc/33/67/55/180336755.db2.gz GPMZKCQNGLCHQP-UHFFFAOYSA-N 2 2 261.369 2.457 20 30 CEEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000092165508 180336757 /nfs/dbraw/zinc/33/67/57/180336757.db2.gz GPMZKCQNGLCHQP-UHFFFAOYSA-N 2 2 261.369 2.457 20 30 CEEDLP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000105903633 186087604 /nfs/dbraw/zinc/08/76/04/186087604.db2.gz ATTBBKJBCGAHCX-HNNXBMFYSA-N 2 2 285.395 2.118 20 30 CEEDLP C=CCOc1ccc(C[N@H+](CC)CC[NH3+])cc1OC ZINC000629652711 351450052 /nfs/dbraw/zinc/45/00/52/351450052.db2.gz ARLSTIUFAYPICU-UHFFFAOYSA-N 2 2 264.369 2.041 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1OC ZINC000629652711 351450055 /nfs/dbraw/zinc/45/00/55/351450055.db2.gz ARLSTIUFAYPICU-UHFFFAOYSA-N 2 2 264.369 2.041 20 30 CEEDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000020043121 361574079 /nfs/dbraw/zinc/57/40/79/361574079.db2.gz GIKHAJVZYPJTIH-UHFFFAOYSA-N 2 2 263.360 2.375 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638979 364203823 /nfs/dbraw/zinc/20/38/23/364203823.db2.gz INNKDRAZNNRSFC-IUODEOHRSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638979 364203830 /nfs/dbraw/zinc/20/38/30/364203830.db2.gz INNKDRAZNNRSFC-IUODEOHRSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638979 364203836 /nfs/dbraw/zinc/20/38/36/364203836.db2.gz INNKDRAZNNRSFC-IUODEOHRSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638979 364203841 /nfs/dbraw/zinc/20/38/41/364203841.db2.gz INNKDRAZNNRSFC-IUODEOHRSA-N 2 2 261.369 2.313 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1F ZINC000341136518 367190418 /nfs/dbraw/zinc/19/04/18/367190418.db2.gz ZQPGIZNLQXVLCC-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1F ZINC000341136518 367190420 /nfs/dbraw/zinc/19/04/20/367190420.db2.gz ZQPGIZNLQXVLCC-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954197 /nfs/dbraw/zinc/95/41/97/367954197.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954202 /nfs/dbraw/zinc/95/42/02/367954202.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954205 /nfs/dbraw/zinc/95/42/05/367954205.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954211 /nfs/dbraw/zinc/95/42/11/367954211.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000183830528 368652798 /nfs/dbraw/zinc/65/27/98/368652798.db2.gz AFQYXTZONHCHIA-JTQLQIEISA-N 2 2 263.307 2.152 20 30 CEEDLP C[N@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193613841 369962730 /nfs/dbraw/zinc/96/27/30/369962730.db2.gz YOSOTGWXEVMOMQ-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[N@@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193613841 369962731 /nfs/dbraw/zinc/96/27/31/369962731.db2.gz YOSOTGWXEVMOMQ-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[NH+]1C[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193613841 369962733 /nfs/dbraw/zinc/96/27/33/369962733.db2.gz YOSOTGWXEVMOMQ-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[NH+]1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193613841 369962734 /nfs/dbraw/zinc/96/27/34/369962734.db2.gz YOSOTGWXEVMOMQ-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](CC=C)C1 ZINC000639963205 371700439 /nfs/dbraw/zinc/70/04/39/371700439.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](CC=C)C1 ZINC000639963205 371700444 /nfs/dbraw/zinc/70/04/44/371700444.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@H+](CC=C)C1 ZINC000639963205 371700448 /nfs/dbraw/zinc/70/04/48/371700448.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@@H+](CC=C)C1 ZINC000639963205 371700454 /nfs/dbraw/zinc/70/04/54/371700454.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)NC1CCCC1 ZINC000263266092 371932382 /nfs/dbraw/zinc/93/23/82/371932382.db2.gz VDZBZFYZRJGTTA-CYBMUJFWSA-N 2 2 294.468 2.458 20 30 CEEDLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1C#N ZINC000376726506 374723243 /nfs/dbraw/zinc/72/32/43/374723243.db2.gz UXDDNJQLPYAJNY-UHFFFAOYSA-N 2 2 296.374 2.389 20 30 CEEDLP C[C@@H](CF)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290083624 376635180 /nfs/dbraw/zinc/63/51/80/376635180.db2.gz GPJVAQCDVQESQD-ZDUSSCGKSA-N 2 2 275.371 2.470 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882959 /nfs/dbraw/zinc/88/29/59/376882959.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882962 /nfs/dbraw/zinc/88/29/62/376882962.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882968 /nfs/dbraw/zinc/88/29/68/376882968.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882974 /nfs/dbraw/zinc/88/29/74/376882974.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156306 377575876 /nfs/dbraw/zinc/57/58/76/377575876.db2.gz HTYLCWOVUJNXLQ-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156306 377575883 /nfs/dbraw/zinc/57/58/83/377575883.db2.gz HTYLCWOVUJNXLQ-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000294957032 378031812 /nfs/dbraw/zinc/03/18/12/378031812.db2.gz IZYSWMFSUBXTHA-MRXNPFEDSA-N 3 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000294957032 378031820 /nfs/dbraw/zinc/03/18/20/378031820.db2.gz IZYSWMFSUBXTHA-MRXNPFEDSA-N 3 2 296.418 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000295092746 378040585 /nfs/dbraw/zinc/04/05/85/378040585.db2.gz UZJOSGBHAKWHKD-AWEZNQCLSA-N 2 2 260.381 2.301 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000295092746 378040588 /nfs/dbraw/zinc/04/05/88/378040588.db2.gz UZJOSGBHAKWHKD-AWEZNQCLSA-N 2 2 260.381 2.301 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)ncc2F)CC1 ZINC000295151193 378044759 /nfs/dbraw/zinc/04/47/59/378044759.db2.gz JOHKFABSEFKONZ-UHFFFAOYSA-N 2 2 267.323 2.100 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449121456 378197121 /nfs/dbraw/zinc/19/71/21/378197121.db2.gz HTDSUHZZKJUCHR-HNNXBMFYSA-N 2 2 264.413 2.328 20 30 CEEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NC1CCCC1 ZINC000261685780 394605615 /nfs/dbraw/zinc/60/56/15/394605615.db2.gz AJIROFFQPMYWAO-UHFFFAOYSA-N 2 2 283.379 2.219 20 30 CEEDLP C[NH+]=C(NCC1CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977936 394610972 /nfs/dbraw/zinc/61/09/72/394610972.db2.gz OEJHRTRCICFLMK-DZGCQCFKSA-N 2 2 289.427 2.142 20 30 CEEDLP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(C#N)c[nH+]1 ZINC000333332470 394644364 /nfs/dbraw/zinc/64/43/64/394644364.db2.gz WKKVHPBWHGDFKY-OAHLLOKOSA-N 2 2 270.380 2.230 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC(C)(C)C ZINC000104157232 394718578 /nfs/dbraw/zinc/71/85/78/394718578.db2.gz IGTBTOFUEHNSLD-UHFFFAOYSA-N 2 2 273.384 2.048 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000284055361 394940602 /nfs/dbraw/zinc/94/06/02/394940602.db2.gz SSEBZAUSBBTYPE-UHFFFAOYSA-N 2 2 284.407 2.383 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373812844 395066079 /nfs/dbraw/zinc/06/60/79/395066079.db2.gz PIZUELRYTBCXLP-QYZOEREBSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373812844 395066083 /nfs/dbraw/zinc/06/60/83/395066083.db2.gz PIZUELRYTBCXLP-QYZOEREBSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373812844 395066085 /nfs/dbraw/zinc/06/60/85/395066085.db2.gz PIZUELRYTBCXLP-QYZOEREBSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373812844 395066092 /nfs/dbraw/zinc/06/60/92/395066092.db2.gz PIZUELRYTBCXLP-QYZOEREBSA-N 2 2 280.415 2.454 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC#N ZINC000346813585 395108671 /nfs/dbraw/zinc/10/86/71/395108671.db2.gz YJCPILHVNQYYJD-HOCLYGCPSA-N 2 2 272.396 2.185 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC#N ZINC000346813585 395108673 /nfs/dbraw/zinc/10/86/73/395108673.db2.gz YJCPILHVNQYYJD-HOCLYGCPSA-N 2 2 272.396 2.185 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000346852994 395110569 /nfs/dbraw/zinc/11/05/69/395110569.db2.gz XOJRVKYXCRYXTD-CVEARBPZSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000346852994 395110572 /nfs/dbraw/zinc/11/05/72/395110572.db2.gz XOJRVKYXCRYXTD-CVEARBPZSA-N 2 2 290.407 2.190 20 30 CEEDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000528732210 395294087 /nfs/dbraw/zinc/29/40/87/395294087.db2.gz YHRRSNFQUZNVAH-UHFFFAOYSA-N 2 2 299.418 2.245 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2COCC)CC1 ZINC000354329339 395326420 /nfs/dbraw/zinc/32/64/20/395326420.db2.gz KZGLBJAPEQFROI-ZBFHGGJFSA-N 2 2 266.429 2.432 20 30 CEEDLP C[N@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442714246 395392426 /nfs/dbraw/zinc/39/24/26/395392426.db2.gz YITVGHWXHXAZFI-JKSUJKDBSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442714246 395392428 /nfs/dbraw/zinc/39/24/28/395392428.db2.gz YITVGHWXHXAZFI-JKSUJKDBSA-N 2 2 257.381 2.400 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443955411 395407168 /nfs/dbraw/zinc/40/71/68/395407168.db2.gz CYEWISWVDBERTB-KRWDZBQOSA-N 2 2 287.407 2.067 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443955411 395407169 /nfs/dbraw/zinc/40/71/69/395407169.db2.gz CYEWISWVDBERTB-KRWDZBQOSA-N 2 2 287.407 2.067 20 30 CEEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000573068625 395599458 /nfs/dbraw/zinc/59/94/58/395599458.db2.gz WXXJMJMGLZEOHX-UONOGXRCSA-N 2 2 262.401 2.140 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000367698550 156224674 /nfs/dbraw/zinc/22/46/74/156224674.db2.gz PPFUJVVONQVIHE-ZWKOTPCHSA-N 2 2 299.418 2.026 20 30 CEEDLP C=CCOCCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000657658173 415038917 /nfs/dbraw/zinc/03/89/17/415038917.db2.gz ODBGIOPGTYWESF-UHFFFAOYSA-N 2 2 259.353 2.325 20 30 CEEDLP C=CC[N@H+](CC1CCCCC1)C[C@@H]1C[NH2+]CCO1 ZINC000662254140 415720769 /nfs/dbraw/zinc/72/07/69/415720769.db2.gz GAGRXNXSCMAKSX-HNNXBMFYSA-N 2 2 252.402 2.043 20 30 CEEDLP C=CC[N@@H+](CC1CCCCC1)C[C@@H]1C[NH2+]CCO1 ZINC000662254140 415720774 /nfs/dbraw/zinc/72/07/74/415720774.db2.gz GAGRXNXSCMAKSX-HNNXBMFYSA-N 2 2 252.402 2.043 20 30 CEEDLP C=CC[NH+](CCc1ccco1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660225686 415929953 /nfs/dbraw/zinc/92/99/53/415929953.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[NH+](CCc1ccco1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660225686 415929957 /nfs/dbraw/zinc/92/99/57/415929957.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[N@@H+](CCc1ccco1)C[C@H](O)C[NH+](C)C(C)C ZINC000660225686 415929959 /nfs/dbraw/zinc/92/99/59/415929959.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[N@H+](CCc1ccco1)C[C@H](O)C[NH+](C)C(C)C ZINC000660225686 415929963 /nfs/dbraw/zinc/92/99/63/415929963.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 2 280.412 2.011 20 30 CEEDLP Oc1cccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1O ZINC000278256421 263046211 /nfs/dbraw/zinc/04/62/11/263046211.db2.gz XHUXWEFSSWIFKA-GZTJUZNOSA-N 2 2 274.364 2.391 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc(OC)c1O ZINC000414950028 263156979 /nfs/dbraw/zinc/15/69/79/263156979.db2.gz HBEJLYDCAFAWQN-IUODEOHRSA-N 2 2 290.407 2.359 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415031772 263256819 /nfs/dbraw/zinc/25/68/19/263256819.db2.gz FKAMKFFJFYPLOA-INIZCTEOSA-N 2 2 290.407 2.490 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc(OC)c1O ZINC000414940836 328277598 /nfs/dbraw/zinc/27/75/98/328277598.db2.gz YBWDDJPPBOSXJY-DOMZBBRYSA-N 2 2 290.407 2.217 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422913488 330160360 /nfs/dbraw/zinc/16/03/60/330160360.db2.gz YONMZZZXDMUSOS-HIFRSBDPSA-N 2 2 260.381 2.339 20 30 CEEDLP C=C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423025119 330165869 /nfs/dbraw/zinc/16/58/69/330165869.db2.gz KQUPECHIFASLCG-DLBZAZTESA-N 2 2 272.392 2.056 20 30 CEEDLP C[NH+](C)[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCSC1 ZINC000449175660 330903715 /nfs/dbraw/zinc/90/37/15/330903715.db2.gz KRTYFDHNLKCWBV-YMAMQOFZSA-N 2 2 281.469 2.486 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449548756 330935773 /nfs/dbraw/zinc/93/57/73/330935773.db2.gz QKJCBLPGPTXMQA-CABCVRRESA-N 2 2 271.364 2.466 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ncccc1CC ZINC000491210309 332166945 /nfs/dbraw/zinc/16/69/45/332166945.db2.gz SCTMMYUCCKIHPW-AWEZNQCLSA-N 2 2 259.397 2.250 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ncccc1CC ZINC000491210309 332166946 /nfs/dbraw/zinc/16/69/46/332166946.db2.gz SCTMMYUCCKIHPW-AWEZNQCLSA-N 2 2 259.397 2.250 20 30 CEEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689158 332286772 /nfs/dbraw/zinc/28/67/72/332286772.db2.gz GVMCMMFURVHGPC-PKOBYXMFSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689158 332286773 /nfs/dbraw/zinc/28/67/73/332286773.db2.gz GVMCMMFURVHGPC-PKOBYXMFSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689158 332286774 /nfs/dbraw/zinc/28/67/74/332286774.db2.gz GVMCMMFURVHGPC-PKOBYXMFSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689158 332286775 /nfs/dbraw/zinc/28/67/75/332286775.db2.gz GVMCMMFURVHGPC-PKOBYXMFSA-N 2 2 298.430 2.064 20 30 CEEDLP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc1F ZINC000579344538 335736282 /nfs/dbraw/zinc/73/62/82/335736282.db2.gz DGGJYRZDWZYMRN-CQSZACIVSA-N 2 2 288.370 2.420 20 30 CEEDLP C[NH+](C)Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)ccc1F ZINC000579344537 335736322 /nfs/dbraw/zinc/73/63/22/335736322.db2.gz DGGJYRZDWZYMRN-AWEZNQCLSA-N 2 2 288.370 2.420 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000581833569 336149713 /nfs/dbraw/zinc/14/97/13/336149713.db2.gz PYFNLZCRQTVMIC-UHFFFAOYSA-N 2 2 298.390 2.023 20 30 CEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000062254368 524487173 /nfs/dbraw/zinc/48/71/73/524487173.db2.gz PCTOZZRFKGVTIC-CYBMUJFWSA-N 2 2 254.337 2.181 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184432 613751100 /nfs/dbraw/zinc/75/11/00/613751100.db2.gz SZBQWCIPQQFYJZ-TZMCWYRMSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184432 613751103 /nfs/dbraw/zinc/75/11/03/613751103.db2.gz SZBQWCIPQQFYJZ-TZMCWYRMSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974737345 613810315 /nfs/dbraw/zinc/81/03/15/613810315.db2.gz RHWMQONPIKYALO-OAHLLOKOSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974737345 613810317 /nfs/dbraw/zinc/81/03/17/613810317.db2.gz RHWMQONPIKYALO-OAHLLOKOSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CCCCCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000310659730 625795035 /nfs/dbraw/zinc/79/50/35/625795035.db2.gz FOFONEDVOROZQS-CABCVRRESA-N 2 2 254.418 2.480 20 30 CEEDLP COCCC[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892801205 627783434 /nfs/dbraw/zinc/78/34/34/627783434.db2.gz MDBVFICWTOEPAR-UHFFFAOYSA-N 2 2 286.419 2.129 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813298 /nfs/dbraw/zinc/81/32/98/628813298.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813300 /nfs/dbraw/zinc/81/33/00/628813300.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813303 /nfs/dbraw/zinc/81/33/03/628813303.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813306 /nfs/dbraw/zinc/81/33/06/628813306.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000925836821 628934297 /nfs/dbraw/zinc/93/42/97/628934297.db2.gz DJMWJZJTQXEWSA-CVEARBPZSA-N 2 2 257.381 2.487 20 30 CEEDLP CSc1ccc([C@H](CNC(=[NH2+])N2CCC2)[NH+](C)C)cc1 ZINC000263169499 631353330 /nfs/dbraw/zinc/35/33/30/631353330.db2.gz RVBLBYGNOQCFPJ-AWEZNQCLSA-N 2 2 292.452 2.032 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000817914862 633775035 /nfs/dbraw/zinc/77/50/35/633775035.db2.gz AHTCZJUHYYFPDV-GJZGRUSLSA-N 2 2 273.380 2.187 20 30 CEEDLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817932573 633785800 /nfs/dbraw/zinc/78/58/00/633785800.db2.gz UACDFVXSVCOTNY-CXAGYDPISA-N 2 2 280.375 2.001 20 30 CEEDLP CCCCCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818340194 633911663 /nfs/dbraw/zinc/91/16/63/633911663.db2.gz KMAWETRMBIXXRZ-LSDHHAIUSA-N 2 2 264.417 2.117 20 30 CEEDLP CCCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818340194 633911668 /nfs/dbraw/zinc/91/16/68/633911668.db2.gz KMAWETRMBIXXRZ-LSDHHAIUSA-N 2 2 264.417 2.117 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793311 634835888 /nfs/dbraw/zinc/83/58/88/634835888.db2.gz HEIMBFNOJLQJFQ-BZSNNMDCSA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793311 634835892 /nfs/dbraw/zinc/83/58/92/634835892.db2.gz HEIMBFNOJLQJFQ-BZSNNMDCSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903394585 635091358 /nfs/dbraw/zinc/09/13/58/635091358.db2.gz DYGLIMZSMYFBGX-RDTXWAMCSA-N 2 2 299.418 2.147 20 30 CEEDLP C=C(C)C[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000996798076 642139112 /nfs/dbraw/zinc/13/91/12/642139112.db2.gz FEPCGMXYUIPOFB-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP CCNC(NC[C@H]([NH2+][C@@H](C)CC)c1ccco1)=[NH+]CC ZINC000849023333 642236537 /nfs/dbraw/zinc/23/65/37/642236537.db2.gz KJMRFFFBSJONRN-STQMWFEESA-N 2 2 280.416 2.284 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921703314 642549814 /nfs/dbraw/zinc/54/98/14/642549814.db2.gz SYWNJWHYTXIXMC-ZMSDIMECSA-N 2 2 278.440 2.432 20 30 CEEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742179 650885516 /nfs/dbraw/zinc/88/55/16/650885516.db2.gz CFOGTNBDRMWDET-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742179 650885519 /nfs/dbraw/zinc/88/55/19/650885519.db2.gz CFOGTNBDRMWDET-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742179 650885523 /nfs/dbraw/zinc/88/55/23/650885523.db2.gz CFOGTNBDRMWDET-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742179 650885530 /nfs/dbraw/zinc/88/55/30/650885530.db2.gz CFOGTNBDRMWDET-JKSUJKDBSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000113311844 644332693 /nfs/dbraw/zinc/33/26/93/644332693.db2.gz HGBMJNQCSXLYDH-UHFFFAOYSA-N 2 2 269.348 2.075 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863546263 646753737 /nfs/dbraw/zinc/75/37/37/646753737.db2.gz HXERHXXRXTUEKG-HEHGZKQESA-N 2 2 258.365 2.100 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865403300 647275713 /nfs/dbraw/zinc/27/57/13/647275713.db2.gz UCPQZTGKYUCSPU-MRXNPFEDSA-N 2 2 286.423 2.198 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865403300 647275716 /nfs/dbraw/zinc/27/57/16/647275716.db2.gz UCPQZTGKYUCSPU-MRXNPFEDSA-N 2 2 286.423 2.198 20 30 CEEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccnc(F)c1 ZINC000781132297 647501742 /nfs/dbraw/zinc/50/17/42/647501742.db2.gz BXQXJHLGKMCUTD-UHFFFAOYSA-N 2 2 259.288 2.128 20 30 CEEDLP N#Cc1ccc(NC(=[NH2+])SCC[NH3+])c2cc[nH]c21 ZINC001167912515 802320094 /nfs/dbraw/zinc/32/00/94/802320094.db2.gz PBSONLMZZJPFND-UHFFFAOYSA-N 2 2 259.338 2.078 20 30 CEEDLP C=CC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001267843128 803769547 /nfs/dbraw/zinc/76/95/47/803769547.db2.gz FKOLLKGXRJFZJK-CQSZACIVSA-N 2 2 290.411 2.039 20 30 CEEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038904847 804512327 /nfs/dbraw/zinc/51/23/27/804512327.db2.gz XXOHRHHQZSCEBR-HOTGVXAUSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038904847 804512332 /nfs/dbraw/zinc/51/23/32/804512332.db2.gz XXOHRHHQZSCEBR-HOTGVXAUSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038904847 804512346 /nfs/dbraw/zinc/51/23/46/804512346.db2.gz XXOHRHHQZSCEBR-HOTGVXAUSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086154538 811046321 /nfs/dbraw/zinc/04/63/21/811046321.db2.gz MNPKOHPIRJMICA-GASCZTMLSA-N 2 2 287.407 2.291 20 30 CEEDLP CC[NH+]1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001169245183 811460345 /nfs/dbraw/zinc/46/03/45/811460345.db2.gz BJOGGLPSJICWOZ-UHFFFAOYSA-N 2 2 269.392 2.401 20 30 CEEDLP CC[NH+]1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001169245183 811460351 /nfs/dbraw/zinc/46/03/51/811460351.db2.gz BJOGGLPSJICWOZ-UHFFFAOYSA-N 2 2 269.392 2.401 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553760 813005091 /nfs/dbraw/zinc/00/50/91/813005091.db2.gz HZJNRIIRTQRMHB-AWEZNQCLSA-N 2 2 298.390 2.105 20 30 CEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553760 813005099 /nfs/dbraw/zinc/00/50/99/813005099.db2.gz HZJNRIIRTQRMHB-AWEZNQCLSA-N 2 2 298.390 2.105 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000385614866 813140014 /nfs/dbraw/zinc/14/00/14/813140014.db2.gz OOUAYFSKAOMIOS-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000392826605 813308188 /nfs/dbraw/zinc/30/81/88/813308188.db2.gz ZAHDIYQOFGVFMV-UHFFFAOYSA-N 2 2 279.453 2.485 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000392826605 813308195 /nfs/dbraw/zinc/30/81/95/813308195.db2.gz ZAHDIYQOFGVFMV-UHFFFAOYSA-N 2 2 279.453 2.485 20 30 CEEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246102205 813692769 /nfs/dbraw/zinc/69/27/69/813692769.db2.gz RPRXRKMCGSUUNM-SOUVJXGZSA-N 2 2 256.434 2.438 20 30 CEEDLP CCCCCCC[C@@H](C)[N@@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246624150 814222980 /nfs/dbraw/zinc/22/29/80/814222980.db2.gz CGKIELRDXBKIHT-SJORKVTESA-N 2 2 298.471 2.426 20 30 CEEDLP CCCCCCC[C@@H](C)[N@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246624150 814222990 /nfs/dbraw/zinc/22/29/90/814222990.db2.gz CGKIELRDXBKIHT-SJORKVTESA-N 2 2 298.471 2.426 20 30 CEEDLP C=CCOC1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC001173308921 815662241 /nfs/dbraw/zinc/66/22/41/815662241.db2.gz PJVNWVVOVRUHLR-UHFFFAOYSA-N 2 2 263.385 2.377 20 30 CEEDLP O=C1C=C2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]2S1 ZINC001140801733 816360014 /nfs/dbraw/zinc/36/00/14/816360014.db2.gz YMYAIYSTLFMOTJ-AWEZNQCLSA-N 2 2 285.372 2.337 20 30 CEEDLP O=C1C=C2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]2S1 ZINC001140801733 816360018 /nfs/dbraw/zinc/36/00/18/816360018.db2.gz YMYAIYSTLFMOTJ-AWEZNQCLSA-N 2 2 285.372 2.337 20 30 CEEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccoc2)CC1 ZINC001204245007 816862761 /nfs/dbraw/zinc/86/27/61/816862761.db2.gz VSQWFYOXQWCGOO-UHFFFAOYSA-N 2 2 289.423 2.071 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309867952 539273407 /nfs/dbraw/zinc/27/34/07/539273407.db2.gz OCUWAWGTQHGUFR-QGZVFWFLSA-N 2 2 274.408 2.443 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309867952 539273408 /nfs/dbraw/zinc/27/34/08/539273408.db2.gz OCUWAWGTQHGUFR-QGZVFWFLSA-N 2 2 274.408 2.443 20 30 CEEDLP CCNC(NCCCn1c(C)[nH+]c2ccccc21)=[NH+]CC ZINC000066242539 343709473 /nfs/dbraw/zinc/70/94/73/343709473.db2.gz DTJANOJVUKOYEA-UHFFFAOYSA-N 2 2 287.411 2.310 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](C)CCC#N)CC2)c1 ZINC000602454112 347039586 /nfs/dbraw/zinc/03/95/86/347039586.db2.gz OPVSJJZFCSWQIE-OAHLLOKOSA-N 2 2 272.396 2.452 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(F)c1 ZINC000591570859 345264586 /nfs/dbraw/zinc/26/45/86/345264586.db2.gz XTYQBDPYEACHGI-HUUCEWRRSA-N 2 2 261.344 2.447 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728762 345276105 /nfs/dbraw/zinc/27/61/05/345276105.db2.gz GKESAYLCLQJOQF-CYBMUJFWSA-N 2 2 263.410 2.463 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728762 345276107 /nfs/dbraw/zinc/27/61/07/345276107.db2.gz GKESAYLCLQJOQF-CYBMUJFWSA-N 2 2 263.410 2.463 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cn21 ZINC000592402399 345350621 /nfs/dbraw/zinc/35/06/21/345350621.db2.gz HRLFNOVNZSFTGN-UONOGXRCSA-N 2 2 268.364 2.467 20 30 CEEDLP N#Cc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594956671 345715721 /nfs/dbraw/zinc/71/57/21/345715721.db2.gz YKYHPZWDXJSFFT-UHFFFAOYSA-N 2 2 266.348 2.033 20 30 CEEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549757 345810164 /nfs/dbraw/zinc/81/01/64/345810164.db2.gz MJYHJXHUTVMYIX-PBHICJAKSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549757 345810168 /nfs/dbraw/zinc/81/01/68/345810168.db2.gz MJYHJXHUTVMYIX-PBHICJAKSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549757 345810172 /nfs/dbraw/zinc/81/01/72/345810172.db2.gz MJYHJXHUTVMYIX-PBHICJAKSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549757 345810176 /nfs/dbraw/zinc/81/01/76/345810176.db2.gz MJYHJXHUTVMYIX-PBHICJAKSA-N 2 2 289.423 2.252 20 30 CEEDLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678912 346562188 /nfs/dbraw/zinc/56/21/88/346562188.db2.gz ZGDTVMHDBYEJOX-UHFFFAOYSA-N 2 2 280.375 2.316 20 30 CEEDLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678912 346562191 /nfs/dbraw/zinc/56/21/91/346562191.db2.gz ZGDTVMHDBYEJOX-UHFFFAOYSA-N 2 2 280.375 2.316 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104342 365824999 /nfs/dbraw/zinc/82/49/99/365824999.db2.gz HDUMRQZAVCSCCR-SJORKVTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104342 365825005 /nfs/dbraw/zinc/82/50/05/365825005.db2.gz HDUMRQZAVCSCCR-SJORKVTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104342 365825008 /nfs/dbraw/zinc/82/50/08/365825008.db2.gz HDUMRQZAVCSCCR-SJORKVTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104342 365825015 /nfs/dbraw/zinc/82/50/15/365825015.db2.gz HDUMRQZAVCSCCR-SJORKVTESA-N 2 2 269.392 2.474 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600607413 346660914 /nfs/dbraw/zinc/66/09/14/346660914.db2.gz YBPHTWSDTPKMSH-GOEBONIOSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600607413 346660917 /nfs/dbraw/zinc/66/09/17/346660917.db2.gz YBPHTWSDTPKMSH-GOEBONIOSA-N 2 2 274.412 2.427 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664483 347131408 /nfs/dbraw/zinc/13/14/08/347131408.db2.gz FDUZYYQNKCSDJK-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664483 347131411 /nfs/dbraw/zinc/13/14/11/347131411.db2.gz FDUZYYQNKCSDJK-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(F)c1C#N ZINC000602664483 347131413 /nfs/dbraw/zinc/13/14/13/347131413.db2.gz FDUZYYQNKCSDJK-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000602664483 347131415 /nfs/dbraw/zinc/13/14/15/347131415.db2.gz FDUZYYQNKCSDJK-WBMJQRKESA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000602794338 347200766 /nfs/dbraw/zinc/20/07/66/347200766.db2.gz ACQSENQYVWUSAW-KGLIPLIRSA-N 2 2 258.369 2.460 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602919924 347247173 /nfs/dbraw/zinc/24/71/73/347247173.db2.gz YNAUJDODBXDSNQ-UHFFFAOYSA-N 2 2 291.439 2.257 20 30 CEEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729231 /nfs/dbraw/zinc/72/92/31/347729231.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729234 /nfs/dbraw/zinc/72/92/34/347729234.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729236 /nfs/dbraw/zinc/72/92/36/347729236.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729239 /nfs/dbraw/zinc/72/92/39/347729239.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 2 284.407 2.117 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994355 347729803 /nfs/dbraw/zinc/72/98/03/347729803.db2.gz FBYJGADVCZBNFF-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994355 347729806 /nfs/dbraw/zinc/72/98/06/347729806.db2.gz FBYJGADVCZBNFF-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994355 347729808 /nfs/dbraw/zinc/72/98/08/347729808.db2.gz FBYJGADVCZBNFF-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994355 347729811 /nfs/dbraw/zinc/72/98/11/347729811.db2.gz FBYJGADVCZBNFF-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000273431809 192147493 /nfs/dbraw/zinc/14/74/93/192147493.db2.gz UKFWBNQIRWFBPY-UHFFFAOYSA-N 2 2 292.379 2.196 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271318694 191070270 /nfs/dbraw/zinc/07/02/70/191070270.db2.gz STCSVJRYVNDXCI-QLFBSQMISA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271318694 191070272 /nfs/dbraw/zinc/07/02/72/191070272.db2.gz STCSVJRYVNDXCI-QLFBSQMISA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(OC)c1O ZINC000629395847 351348898 /nfs/dbraw/zinc/34/88/98/351348898.db2.gz GLPHPVRTQVYHJL-IUODEOHRSA-N 2 2 290.407 2.359 20 30 CEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)o1)C[NH+]1CCCCC1 ZINC000135154281 366402535 /nfs/dbraw/zinc/40/25/35/366402535.db2.gz MSOZKYDYRUJFQW-ZDUSSCGKSA-N 2 2 261.369 2.363 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578335069 366480712 /nfs/dbraw/zinc/48/07/12/366480712.db2.gz AXIDDBOIVHANNF-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(C)CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578335069 366480714 /nfs/dbraw/zinc/48/07/14/366480714.db2.gz AXIDDBOIVHANNF-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP COCC#CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723623 540492998 /nfs/dbraw/zinc/49/29/98/540492998.db2.gz RJDZUHUPORRJKD-LJQANCHMSA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723623 540493000 /nfs/dbraw/zinc/49/30/00/540493000.db2.gz RJDZUHUPORRJKD-LJQANCHMSA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723623 540493002 /nfs/dbraw/zinc/49/30/02/540493002.db2.gz RJDZUHUPORRJKD-LJQANCHMSA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723623 540493006 /nfs/dbraw/zinc/49/30/06/540493006.db2.gz RJDZUHUPORRJKD-LJQANCHMSA-N 2 2 298.430 2.234 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179464 364583812 /nfs/dbraw/zinc/58/38/12/364583812.db2.gz SPJMFSYLCQZIHZ-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179464 364583818 /nfs/dbraw/zinc/58/38/18/364583818.db2.gz SPJMFSYLCQZIHZ-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179464 364583824 /nfs/dbraw/zinc/58/38/24/364583824.db2.gz SPJMFSYLCQZIHZ-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179464 364583827 /nfs/dbraw/zinc/58/38/27/364583827.db2.gz SPJMFSYLCQZIHZ-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356870597 370799240 /nfs/dbraw/zinc/79/92/40/370799240.db2.gz OGAUOAWJVILAJQ-KGLIPLIRSA-N 2 2 252.402 2.042 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1cccs1 ZINC000170906229 367444792 /nfs/dbraw/zinc/44/47/92/367444792.db2.gz JUYYHIRDHGAPKN-NSHDSACASA-N 2 2 289.408 2.173 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000172116624 367675879 /nfs/dbraw/zinc/67/58/79/367675879.db2.gz XMXQUUHIHMIFPW-HNNXBMFYSA-N 2 2 283.375 2.321 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221155655 370238736 /nfs/dbraw/zinc/23/87/36/370238736.db2.gz QWJHWZGRVLISGZ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221155655 370238739 /nfs/dbraw/zinc/23/87/39/370238739.db2.gz QWJHWZGRVLISGZ-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546737 371454262 /nfs/dbraw/zinc/45/42/62/371454262.db2.gz KUYLOCNOJVIVAB-JQFCIGGWSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546737 371454268 /nfs/dbraw/zinc/45/42/68/371454268.db2.gz KUYLOCNOJVIVAB-JQFCIGGWSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000252543528 371454587 /nfs/dbraw/zinc/45/45/87/371454587.db2.gz HEIRMWHGYUHUAG-JQFCIGGWSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000252543528 371454591 /nfs/dbraw/zinc/45/45/91/371454591.db2.gz HEIRMWHGYUHUAG-JQFCIGGWSA-N 2 2 285.391 2.072 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000264099902 371969235 /nfs/dbraw/zinc/96/92/35/371969235.db2.gz NTGLVAMWZZTZHJ-UHFFFAOYSA-N 2 2 294.468 2.057 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000264099902 371969238 /nfs/dbraw/zinc/96/92/38/371969238.db2.gz NTGLVAMWZZTZHJ-UHFFFAOYSA-N 2 2 294.468 2.057 20 30 CEEDLP CCCCCCNC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000264251178 371988020 /nfs/dbraw/zinc/98/80/20/371988020.db2.gz HBNBSCBALMMRJU-UHFFFAOYSA-N 2 2 277.416 2.204 20 30 CEEDLP C#CCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000268493008 372118156 /nfs/dbraw/zinc/11/81/56/372118156.db2.gz OCOKGZQSZHCBNR-UHFFFAOYSA-N 2 2 272.396 2.054 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270226383 372709001 /nfs/dbraw/zinc/70/90/01/372709001.db2.gz DJUCXCICDZHCKZ-UHFFFAOYSA-N 2 2 287.411 2.361 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494031 372874056 /nfs/dbraw/zinc/87/40/56/372874056.db2.gz PWLQYHOYKYRBDR-SQNIBIBYSA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494031 372874063 /nfs/dbraw/zinc/87/40/63/372874063.db2.gz PWLQYHOYKYRBDR-SQNIBIBYSA-N 2 2 299.418 2.462 20 30 CEEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365837014 372947130 /nfs/dbraw/zinc/94/71/30/372947130.db2.gz KAVZGDSIQXZXHU-INIZCTEOSA-N 2 2 293.455 2.147 20 30 CEEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365837014 372947140 /nfs/dbraw/zinc/94/71/40/372947140.db2.gz KAVZGDSIQXZXHU-INIZCTEOSA-N 2 2 293.455 2.147 20 30 CEEDLP C[N@@H+](CC#Cc1ccccc1)CCC[NH+]1CCCC1 ZINC000281382206 375376216 /nfs/dbraw/zinc/37/62/16/375376216.db2.gz PGJAKMSHVYXZJZ-UHFFFAOYSA-N 2 2 256.393 2.456 20 30 CEEDLP C[N@H+](CC#Cc1ccccc1)CCC[NH+]1CCCC1 ZINC000281382206 375376222 /nfs/dbraw/zinc/37/62/22/375376222.db2.gz PGJAKMSHVYXZJZ-UHFFFAOYSA-N 2 2 256.393 2.456 20 30 CEEDLP C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897480 376733766 /nfs/dbraw/zinc/73/37/66/376733766.db2.gz AXAWKUHSMIWOPP-HNNXBMFYSA-N 2 2 287.407 2.110 20 30 CEEDLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1=CC[N@H+](C)CC1 ZINC000329301282 376940647 /nfs/dbraw/zinc/94/06/47/376940647.db2.gz MWCVZUUNMMUPQN-JSGCOSHPSA-N 2 2 288.395 2.052 20 30 CEEDLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1=CC[N@@H+](C)CC1 ZINC000329301282 376940655 /nfs/dbraw/zinc/94/06/55/376940655.db2.gz MWCVZUUNMMUPQN-JSGCOSHPSA-N 2 2 288.395 2.052 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875755 378011414 /nfs/dbraw/zinc/01/14/14/378011414.db2.gz PIFQQOZHEKHPQP-WOICTCIZSA-N 2 2 261.413 2.389 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875755 378011419 /nfs/dbraw/zinc/01/14/19/378011419.db2.gz PIFQQOZHEKHPQP-WOICTCIZSA-N 2 2 261.413 2.389 20 30 CEEDLP C=CCC[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449697072 378221994 /nfs/dbraw/zinc/22/19/94/378221994.db2.gz JXHGWYGHFSQXGU-GFCCVEGCSA-N 2 2 277.393 2.351 20 30 CEEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(F)cc2C#N)CC1 ZINC000267235648 190313985 /nfs/dbraw/zinc/31/39/85/190313985.db2.gz WPVXJCZIMWICJK-UHFFFAOYSA-N 2 2 290.386 2.135 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]c(C)n1)C(C)C ZINC000360226622 394794383 /nfs/dbraw/zinc/79/43/83/394794383.db2.gz XLHBAJSQIBCUDA-HNNXBMFYSA-N 2 2 274.412 2.317 20 30 CEEDLP C=CCC[C@@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285756030 394963138 /nfs/dbraw/zinc/96/31/38/394963138.db2.gz RXHITLHTLQZHSU-OAHLLOKOSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285756030 394963141 /nfs/dbraw/zinc/96/31/41/394963141.db2.gz RXHITLHTLQZHSU-OAHLLOKOSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285756030 394963143 /nfs/dbraw/zinc/96/31/43/394963143.db2.gz RXHITLHTLQZHSU-OAHLLOKOSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285756030 394963145 /nfs/dbraw/zinc/96/31/45/394963145.db2.gz RXHITLHTLQZHSU-OAHLLOKOSA-N 2 2 280.412 2.360 20 30 CEEDLP Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)c(C#N)c[nH+]1 ZINC000425204695 395051920 /nfs/dbraw/zinc/05/19/20/395051920.db2.gz HGOWFJAVLXPNEG-UHFFFAOYSA-N 2 2 292.386 2.154 20 30 CEEDLP Cc1cc(NCC[N@H+]2CCc3ccccc3C2)c(C#N)c[nH+]1 ZINC000425204695 395051922 /nfs/dbraw/zinc/05/19/22/395051922.db2.gz HGOWFJAVLXPNEG-UHFFFAOYSA-N 2 2 292.386 2.154 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442708584 395390613 /nfs/dbraw/zinc/39/06/13/395390613.db2.gz JSXQPONMBWCERU-MAUKXSAKSA-N 2 2 299.418 2.301 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1OC ZINC000569742867 395580294 /nfs/dbraw/zinc/58/02/94/395580294.db2.gz BAVSZUQRQNFJQO-UHFFFAOYSA-N 2 2 290.407 2.442 20 30 CEEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000657867918 415109567 /nfs/dbraw/zinc/10/95/67/415109567.db2.gz VYPVKHKPNLRVJC-GJZGRUSLSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000657867918 415109568 /nfs/dbraw/zinc/10/95/68/415109568.db2.gz VYPVKHKPNLRVJC-GJZGRUSLSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340301173 263106989 /nfs/dbraw/zinc/10/69/89/263106989.db2.gz RJJJJHGZVDPVFC-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340301173 263106990 /nfs/dbraw/zinc/10/69/90/263106990.db2.gz RJJJJHGZVDPVFC-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(OC)c1O ZINC000415064806 263259459 /nfs/dbraw/zinc/25/94/59/263259459.db2.gz DQFJLQJKELTYEY-OAHLLOKOSA-N 2 2 290.407 2.361 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341876469 263361506 /nfs/dbraw/zinc/36/15/06/263361506.db2.gz JYIXKHRADSDRRV-ZWKOTPCHSA-N 2 2 288.435 2.425 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341876469 263361507 /nfs/dbraw/zinc/36/15/07/263361507.db2.gz JYIXKHRADSDRRV-ZWKOTPCHSA-N 2 2 288.435 2.425 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530244652 268263300 /nfs/dbraw/zinc/26/33/00/268263300.db2.gz PDJWOMZDFGLLRL-MSOLQXFVSA-N 2 2 299.418 2.198 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530244652 268263301 /nfs/dbraw/zinc/26/33/01/268263301.db2.gz PDJWOMZDFGLLRL-MSOLQXFVSA-N 2 2 299.418 2.198 20 30 CEEDLP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425261449 271149266 /nfs/dbraw/zinc/14/92/66/271149266.db2.gz QEMORGNIKZFQTE-AWEZNQCLSA-N 2 2 258.369 2.182 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000535315451 313390969 /nfs/dbraw/zinc/39/09/69/313390969.db2.gz XHTNQSOPWUMOLQ-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000535315451 313390974 /nfs/dbraw/zinc/39/09/74/313390974.db2.gz XHTNQSOPWUMOLQ-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP CC[NH+]=C(NC1CCC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019296 328143805 /nfs/dbraw/zinc/14/38/05/328143805.db2.gz YLSVSJPJFYQRNE-HIFRSBDPSA-N 2 2 289.427 2.284 20 30 CEEDLP CC#CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000157487970 327431780 /nfs/dbraw/zinc/43/17/80/327431780.db2.gz GCXQTARHEYCBGH-UHFFFAOYSA-N 2 2 272.396 2.054 20 30 CEEDLP CC(C)(C#N)CCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582249157 328848944 /nfs/dbraw/zinc/84/89/44/328848944.db2.gz GWIPMLFKRYZPPI-UHFFFAOYSA-N 2 2 275.400 2.252 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857284 330157848 /nfs/dbraw/zinc/15/78/48/330157848.db2.gz GQMDDUCSNBXIKS-BRWVUGGUSA-N 3 2 277.456 2.147 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423113065 330170744 /nfs/dbraw/zinc/17/07/44/330170744.db2.gz YHTLMSLQUIYIFO-GOEBONIOSA-N 2 2 290.407 2.108 20 30 CEEDLP C=C(C)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727538 333453857 /nfs/dbraw/zinc/45/38/57/333453857.db2.gz UROMDXNXRZDKEO-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568857408 334843435 /nfs/dbraw/zinc/84/34/35/334843435.db2.gz CKIVNNIWSPPFCG-HNNXBMFYSA-N 2 2 293.374 2.465 20 30 CEEDLP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1F ZINC000581899553 336162826 /nfs/dbraw/zinc/16/28/26/336162826.db2.gz YMIWDVURTZANJS-AWEZNQCLSA-N 2 2 288.370 2.420 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000582013871 336192377 /nfs/dbraw/zinc/19/23/77/336192377.db2.gz ZJJSLPSPFRRZJS-UHFFFAOYSA-N 2 2 260.381 2.434 20 30 CEEDLP O=C1/C(=C/c2[nH]cc[nH+]2)CCC/C1=C\c1[nH]cc[nH+]1 ZINC000731156060 574590408 /nfs/dbraw/zinc/59/04/08/574590408.db2.gz ZJHKTEAMAVSKGF-GFULKKFKSA-N 2 2 254.293 2.353 20 30 CEEDLP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510737 625590184 /nfs/dbraw/zinc/59/01/84/625590184.db2.gz VHHWOMQUXMQKRN-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510737 625590185 /nfs/dbraw/zinc/59/01/85/625590185.db2.gz VHHWOMQUXMQKRN-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250534216 629834696 /nfs/dbraw/zinc/83/46/96/629834696.db2.gz WPFKVOIWEVEULI-MNOVXSKESA-N 2 2 259.191 2.111 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250534216 629834700 /nfs/dbraw/zinc/83/47/00/629834700.db2.gz WPFKVOIWEVEULI-MNOVXSKESA-N 2 2 259.191 2.111 20 30 CEEDLP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988845592 631700650 /nfs/dbraw/zinc/70/06/50/631700650.db2.gz SZWAXAFKCHVLJJ-IUODEOHRSA-N 2 2 298.390 2.021 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000809602204 632107348 /nfs/dbraw/zinc/10/73/48/632107348.db2.gz KWXCCFVGUOSVHO-GOSISDBHSA-N 2 2 286.419 2.114 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000809602204 632107352 /nfs/dbraw/zinc/10/73/52/632107352.db2.gz KWXCCFVGUOSVHO-GOSISDBHSA-N 2 2 286.419 2.114 20 30 CEEDLP C#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000809608961 632110284 /nfs/dbraw/zinc/11/02/84/632110284.db2.gz ZAOFXNZXSOJSCW-UHFFFAOYSA-N 2 2 253.349 2.434 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809783034 632145576 /nfs/dbraw/zinc/14/55/76/632145576.db2.gz PPNRIAJCZZFDSP-GFCCVEGCSA-N 2 2 265.426 2.342 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000815651777 633043990 /nfs/dbraw/zinc/04/39/90/633043990.db2.gz CLVJQELPSGQQBV-UHFFFAOYSA-N 3 2 291.483 2.328 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000815651777 633043993 /nfs/dbraw/zinc/04/39/93/633043993.db2.gz CLVJQELPSGQQBV-UHFFFAOYSA-N 3 2 291.483 2.328 20 30 CEEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000900101807 633403284 /nfs/dbraw/zinc/40/32/84/633403284.db2.gz VPJHQPLMBKXAAV-UHFFFAOYSA-N 2 2 284.363 2.319 20 30 CEEDLP C=C(Cl)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817288481 633620506 /nfs/dbraw/zinc/62/05/06/633620506.db2.gz YKZJCXJWIFOFRQ-UHFFFAOYSA-N 2 2 285.863 2.231 20 30 CEEDLP C=C(Cl)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817288481 633620510 /nfs/dbraw/zinc/62/05/10/633620510.db2.gz YKZJCXJWIFOFRQ-UHFFFAOYSA-N 2 2 285.863 2.231 20 30 CEEDLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1C#N ZINC000817915252 633774379 /nfs/dbraw/zinc/77/43/79/633774379.db2.gz JUKBTGSAUIMKDZ-IUODEOHRSA-N 2 2 273.380 2.187 20 30 CEEDLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000817915256 633774616 /nfs/dbraw/zinc/77/46/16/633774616.db2.gz JUKBTGSAUIMKDZ-WFASDCNBSA-N 2 2 273.380 2.187 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000817968416 633811147 /nfs/dbraw/zinc/81/11/47/633811147.db2.gz SEANWNJZMPHZEU-GRDNDAEWSA-N 2 2 272.392 2.347 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000817968418 633811717 /nfs/dbraw/zinc/81/17/17/633811717.db2.gz SEANWNJZMPHZEU-KEYYUXOJSA-N 2 2 272.392 2.347 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000817973476 633817474 /nfs/dbraw/zinc/81/74/74/633817474.db2.gz UGEVALHMNZNVFP-KGLIPLIRSA-N 2 2 260.381 2.347 20 30 CEEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819078305 634061726 /nfs/dbraw/zinc/06/17/26/634061726.db2.gz IOFRZCNASQCMNH-IAGOWNOFSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451796 635135664 /nfs/dbraw/zinc/13/56/64/635135664.db2.gz DSJHYUJHMJGOJJ-AWEZNQCLSA-N 2 2 263.772 2.382 20 30 CEEDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451796 635135665 /nfs/dbraw/zinc/13/56/65/635135665.db2.gz DSJHYUJHMJGOJJ-AWEZNQCLSA-N 2 2 263.772 2.382 20 30 CEEDLP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CC[N@H+]2C)c(O)c1 ZINC000905003907 635774814 /nfs/dbraw/zinc/77/48/14/635774814.db2.gz XYFGHVPUJNLWOU-ZCQLHAAUSA-N 2 2 275.396 2.361 20 30 CEEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876964210 650510111 /nfs/dbraw/zinc/51/01/11/650510111.db2.gz VGQAXAXRUJFRPC-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876964210 650510115 /nfs/dbraw/zinc/51/01/15/650510115.db2.gz VGQAXAXRUJFRPC-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000877154692 650599783 /nfs/dbraw/zinc/59/97/83/650599783.db2.gz XDWAUEKULUVVJR-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000877154692 650599785 /nfs/dbraw/zinc/59/97/85/650599785.db2.gz XDWAUEKULUVVJR-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N)cc1 ZINC000915974658 640711710 /nfs/dbraw/zinc/71/17/10/640711710.db2.gz VSYRUBNMNIPNQM-UHFFFAOYSA-N 2 2 260.385 2.068 20 30 CEEDLP C#C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000847034597 641539967 /nfs/dbraw/zinc/53/99/67/641539967.db2.gz JRTITTHPAHKQRB-KRWDZBQOSA-N 2 2 298.430 2.364 20 30 CEEDLP C#C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000847034597 641539969 /nfs/dbraw/zinc/53/99/69/641539969.db2.gz JRTITTHPAHKQRB-KRWDZBQOSA-N 2 2 298.430 2.364 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877545589 650779915 /nfs/dbraw/zinc/77/99/15/650779915.db2.gz JCQOAGVWFQLQMW-GOSISDBHSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877545589 650779918 /nfs/dbraw/zinc/77/99/18/650779918.db2.gz JCQOAGVWFQLQMW-GOSISDBHSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000877545589 650779920 /nfs/dbraw/zinc/77/99/20/650779920.db2.gz JCQOAGVWFQLQMW-GOSISDBHSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000877545589 650779922 /nfs/dbraw/zinc/77/99/22/650779922.db2.gz JCQOAGVWFQLQMW-GOSISDBHSA-N 2 2 298.434 2.152 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000759749221 645071161 /nfs/dbraw/zinc/07/11/61/645071161.db2.gz OVRXWXDHDPUYFL-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000759749221 645071164 /nfs/dbraw/zinc/07/11/64/645071164.db2.gz OVRXWXDHDPUYFL-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP Cc1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc[nH+]1 ZINC000863159299 646658379 /nfs/dbraw/zinc/65/83/79/646658379.db2.gz KRXPHPQTWMFJGY-UHFFFAOYSA-N 2 2 281.363 2.253 20 30 CEEDLP C[NH+](C)C[C@@](C)(C=[NH+]n1cccn1)c1ccccc1 ZINC000863163451 646660609 /nfs/dbraw/zinc/66/06/09/646660609.db2.gz DJGFFAPVLYFWIB-OAHLLOKOSA-N 2 2 256.353 2.237 20 30 CEEDLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866237753 647686839 /nfs/dbraw/zinc/68/68/39/647686839.db2.gz LJHURYRQMPJRGL-OLZOCXBDSA-N 2 2 273.380 2.256 20 30 CEEDLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866237753 647686840 /nfs/dbraw/zinc/68/68/40/647686840.db2.gz LJHURYRQMPJRGL-OLZOCXBDSA-N 2 2 273.380 2.256 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000873280718 649623309 /nfs/dbraw/zinc/62/33/09/649623309.db2.gz VJIOYHXVMVOMBZ-ZIAGYGMSSA-N 2 2 254.418 2.335 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(C#N)c1 ZINC000879433549 651303166 /nfs/dbraw/zinc/30/31/66/651303166.db2.gz WRQUTGRVWBEQGU-UHFFFAOYSA-N 2 2 268.364 2.319 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(C#N)c1 ZINC000879433549 651303168 /nfs/dbraw/zinc/30/31/68/651303168.db2.gz WRQUTGRVWBEQGU-UHFFFAOYSA-N 2 2 268.364 2.319 20 30 CEEDLP C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883401251 652457212 /nfs/dbraw/zinc/45/72/12/652457212.db2.gz HQXZDKCLKVVTQE-OAHLLOKOSA-N 2 2 271.364 2.289 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[NH2+]CCC2(C)C)cc1C#N ZINC000712561854 814766846 /nfs/dbraw/zinc/76/68/46/814766846.db2.gz MQNQEZOWENQYMT-UHFFFAOYSA-N 2 2 257.381 2.441 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1C#N ZINC000712561854 814766849 /nfs/dbraw/zinc/76/68/49/814766849.db2.gz MQNQEZOWENQYMT-UHFFFAOYSA-N 2 2 257.381 2.441 20 30 CEEDLP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267956161 803848824 /nfs/dbraw/zinc/84/88/24/803848824.db2.gz WXCIYLJOJWBZLH-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001119345472 815096337 /nfs/dbraw/zinc/09/63/37/815096337.db2.gz SYOVYTHAOMSUJY-UHFFFAOYSA-N 2 2 282.391 2.121 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001119345472 815096344 /nfs/dbraw/zinc/09/63/44/815096344.db2.gz SYOVYTHAOMSUJY-UHFFFAOYSA-N 2 2 282.391 2.121 20 30 CEEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001031237257 807827747 /nfs/dbraw/zinc/82/77/47/807827747.db2.gz XOLLAOGLHHFCDN-MRXNPFEDSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031237257 807827755 /nfs/dbraw/zinc/82/77/55/807827755.db2.gz XOLLAOGLHHFCDN-MRXNPFEDSA-N 2 2 293.455 2.018 20 30 CEEDLP CC[NH2+]CC[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001235787904 807858817 /nfs/dbraw/zinc/85/88/17/807858817.db2.gz AAOXXXMMGBEOLG-UHFFFAOYSA-N 2 2 271.408 2.422 20 30 CEEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477754 808632057 /nfs/dbraw/zinc/63/20/57/808632057.db2.gz RQMHGMVNHLPCIC-KBPBESRZSA-N 2 2 296.374 2.038 20 30 CEEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477754 808632097 /nfs/dbraw/zinc/63/20/97/808632097.db2.gz RQMHGMVNHLPCIC-KBPBESRZSA-N 2 2 296.374 2.038 20 30 CEEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940684 810246571 /nfs/dbraw/zinc/24/65/71/810246571.db2.gz LELJINKGGVGEBV-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940684 810246577 /nfs/dbraw/zinc/24/65/77/810246577.db2.gz LELJINKGGVGEBV-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085244652 810702529 /nfs/dbraw/zinc/70/25/29/810702529.db2.gz PNSPYRUZVDHPNK-HUUCEWRRSA-N 2 2 298.390 2.380 20 30 CEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC#Cc1ccccc1)C2 ZINC001169108415 811404639 /nfs/dbraw/zinc/40/46/39/811404639.db2.gz SLYRYLAJCBYGSA-BJWYYQGGSA-N 2 2 254.377 2.253 20 30 CEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC#Cc1ccccc1)C2 ZINC001169108415 811404645 /nfs/dbraw/zinc/40/46/45/811404645.db2.gz SLYRYLAJCBYGSA-BJWYYQGGSA-N 2 2 254.377 2.253 20 30 CEEDLP Cc1[nH+]cn([C@@H]2CC[C@H](C#N)C2)c1CSCC[NH3+] ZINC001254643179 812517535 /nfs/dbraw/zinc/51/75/35/812517535.db2.gz NBJATSKWAIYRSS-NWDGAFQWSA-N 2 2 264.398 2.248 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C#N)c1 ZINC001206187538 815571970 /nfs/dbraw/zinc/57/19/70/815571970.db2.gz UFTOKIABHSOIKV-HUUCEWRRSA-N 2 2 261.344 2.128 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C#N)c1 ZINC001206187538 815571974 /nfs/dbraw/zinc/57/19/74/815571974.db2.gz UFTOKIABHSOIKV-HUUCEWRRSA-N 2 2 261.344 2.128 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC[NH+]1CCCC1 ZINC001171176063 814060263 /nfs/dbraw/zinc/06/02/63/814060263.db2.gz OWWSQMXBHLFEGY-AWEZNQCLSA-N 2 2 257.381 2.175 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001206213906 815799556 /nfs/dbraw/zinc/79/95/56/815799556.db2.gz WOACVKZZBXRVHX-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001206213906 815799558 /nfs/dbraw/zinc/79/95/58/815799558.db2.gz WOACVKZZBXRVHX-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206213904 815800302 /nfs/dbraw/zinc/80/03/02/815800302.db2.gz WOACVKZZBXRVHX-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206213904 815800311 /nfs/dbraw/zinc/80/03/11/815800311.db2.gz WOACVKZZBXRVHX-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501784 816215194 /nfs/dbraw/zinc/21/51/94/816215194.db2.gz FUIUTWHBNADMOD-CABCVRRESA-N 2 2 292.427 2.285 20 30 CEEDLP C[N@H+](CC1(C#N)CC1)[C@H]1CCC[NH+](CC2(C#N)CC2)CC1 ZINC000347492977 529853095 /nfs/dbraw/zinc/85/30/95/529853095.db2.gz WCKFRXKHYUWSGQ-HNNXBMFYSA-N 2 2 286.423 2.380 20 30 CEEDLP C[N@@H+](CC1(C#N)CC1)[C@H]1CCC[NH+](CC2(C#N)CC2)CC1 ZINC000347492977 529853096 /nfs/dbraw/zinc/85/30/96/529853096.db2.gz WCKFRXKHYUWSGQ-HNNXBMFYSA-N 2 2 286.423 2.380 20 30 CEEDLP C[NH+](CC1(C#N)CC1)[C@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000347492977 529853097 /nfs/dbraw/zinc/85/30/97/529853097.db2.gz WCKFRXKHYUWSGQ-HNNXBMFYSA-N 2 2 286.423 2.380 20 30 CEEDLP C[NH+](CC1(C#N)CC1)[C@H]1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000347492977 529853098 /nfs/dbraw/zinc/85/30/98/529853098.db2.gz WCKFRXKHYUWSGQ-HNNXBMFYSA-N 2 2 286.423 2.380 20 30 CEEDLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602448590 347037272 /nfs/dbraw/zinc/03/72/72/347037272.db2.gz NDTCQYVNWXCUIM-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602448590 347037273 /nfs/dbraw/zinc/03/72/73/347037273.db2.gz NDTCQYVNWXCUIM-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000602483938 347054767 /nfs/dbraw/zinc/05/47/67/347054767.db2.gz KHJJMYWPIPJFKI-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000602483938 347054768 /nfs/dbraw/zinc/05/47/68/347054768.db2.gz KHJJMYWPIPJFKI-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP COc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1C#N ZINC000315232290 344747688 /nfs/dbraw/zinc/74/76/88/344747688.db2.gz CGBRQKXORSRNAV-INIZCTEOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1C#N ZINC000315232290 344747691 /nfs/dbraw/zinc/74/76/91/344747691.db2.gz CGBRQKXORSRNAV-INIZCTEOSA-N 2 2 285.391 2.093 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000404001714 344877516 /nfs/dbraw/zinc/87/75/16/344877516.db2.gz NHPUIGLLAQMNSR-MRXNPFEDSA-N 2 2 273.355 2.223 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000404001714 344877517 /nfs/dbraw/zinc/87/75/17/344877517.db2.gz NHPUIGLLAQMNSR-MRXNPFEDSA-N 2 2 273.355 2.223 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573257 345265189 /nfs/dbraw/zinc/26/51/89/345265189.db2.gz BQTPWFVGJBPOIH-QMTHXVAHSA-N 2 2 263.772 2.299 20 30 CEEDLP Cc1[nH+]c2cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc2n1C ZINC000594438912 345630349 /nfs/dbraw/zinc/63/03/49/345630349.db2.gz MWRNHPLBUXRDMC-CYBMUJFWSA-N 2 2 299.378 2.232 20 30 CEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584670 345652059 /nfs/dbraw/zinc/65/20/59/345652059.db2.gz ALODLVNVBSQNGA-PBHICJAKSA-N 2 2 299.418 2.294 20 30 CEEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594935634 345708834 /nfs/dbraw/zinc/70/88/34/345708834.db2.gz BNIBMJREHLGWAK-INIZCTEOSA-N 2 2 278.359 2.478 20 30 CEEDLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632642 345833497 /nfs/dbraw/zinc/83/34/97/345833497.db2.gz IBUMFVCZXMCDSI-MRXNPFEDSA-N 2 2 289.423 2.084 20 30 CEEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632642 345833498 /nfs/dbraw/zinc/83/34/98/345833498.db2.gz IBUMFVCZXMCDSI-MRXNPFEDSA-N 2 2 289.423 2.084 20 30 CEEDLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)c(F)c1 ZINC000596654476 346072889 /nfs/dbraw/zinc/07/28/89/346072889.db2.gz PLPGHXRYWDZZGB-NLTNOIMHSA-N 2 2 259.328 2.100 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000597247862 346161609 /nfs/dbraw/zinc/16/16/09/346161609.db2.gz GMIGNFIHKTWZRM-CQSZACIVSA-N 2 2 293.436 2.162 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000597247862 346161612 /nfs/dbraw/zinc/16/16/12/346161612.db2.gz GMIGNFIHKTWZRM-CQSZACIVSA-N 2 2 293.436 2.162 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1C#N ZINC000600708494 346675182 /nfs/dbraw/zinc/67/51/82/346675182.db2.gz CYSZGWQZWQGFGL-HEHGZKQESA-N 2 2 257.381 2.343 20 30 CEEDLP C[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000129471893 365863035 /nfs/dbraw/zinc/86/30/35/365863035.db2.gz ZHFNAUSNGNGQNT-KKUMJFAQSA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000129471893 365863038 /nfs/dbraw/zinc/86/30/38/365863038.db2.gz ZHFNAUSNGNGQNT-KKUMJFAQSA-N 2 2 271.368 2.210 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000610995109 347730188 /nfs/dbraw/zinc/73/01/88/347730188.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995109 347730189 /nfs/dbraw/zinc/73/01/89/347730189.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995109 347730191 /nfs/dbraw/zinc/73/01/91/347730191.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407835 350010955 /nfs/dbraw/zinc/01/09/55/350010955.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 3 2 265.445 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407835 350010957 /nfs/dbraw/zinc/01/09/57/350010957.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 3 2 265.445 2.099 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000120171908 186880074 /nfs/dbraw/zinc/88/00/74/186880074.db2.gz WWFBRXLKPWPZOQ-UKRRQHHQSA-N 2 2 285.391 2.152 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000120171908 186880075 /nfs/dbraw/zinc/88/00/75/186880075.db2.gz WWFBRXLKPWPZOQ-UKRRQHHQSA-N 2 2 285.391 2.152 20 30 CEEDLP C=CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631174136 351999788 /nfs/dbraw/zinc/99/97/88/351999788.db2.gz VZHITNNAUOXYDH-UHFFFAOYSA-N 2 2 290.407 2.063 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000156636866 188273504 /nfs/dbraw/zinc/27/35/04/188273504.db2.gz GUFOECICUGBZRV-JQFCIGGWSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000156636866 188273505 /nfs/dbraw/zinc/27/35/05/188273505.db2.gz GUFOECICUGBZRV-JQFCIGGWSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636866 188273506 /nfs/dbraw/zinc/27/35/06/188273506.db2.gz GUFOECICUGBZRV-JQFCIGGWSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636866 188273508 /nfs/dbraw/zinc/27/35/08/188273508.db2.gz GUFOECICUGBZRV-JQFCIGGWSA-N 2 2 287.407 2.006 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337242112 366100325 /nfs/dbraw/zinc/10/03/25/366100325.db2.gz HANQUTNSDRZXIR-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337242112 366100329 /nfs/dbraw/zinc/10/03/29/366100329.db2.gz HANQUTNSDRZXIR-MRXNPFEDSA-N 2 2 295.471 2.217 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccccc1C#N ZINC000177334701 189044318 /nfs/dbraw/zinc/04/43/18/189044318.db2.gz WUUIBIRPFPZSFJ-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccccc1C#N ZINC000177334701 189044319 /nfs/dbraw/zinc/04/43/19/189044319.db2.gz WUUIBIRPFPZSFJ-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC000177334701 189044320 /nfs/dbraw/zinc/04/43/20/189044320.db2.gz WUUIBIRPFPZSFJ-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1C#N ZINC000177334701 189044321 /nfs/dbraw/zinc/04/43/21/189044321.db2.gz WUUIBIRPFPZSFJ-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(C#N)cs2)CC1 ZINC000356400455 370694430 /nfs/dbraw/zinc/69/44/30/370694430.db2.gz VEXPYOFVXONALB-UHFFFAOYSA-N 2 2 276.409 2.075 20 30 CEEDLP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(C#N)cs2)CC1 ZINC000356400455 370694434 /nfs/dbraw/zinc/69/44/34/370694434.db2.gz VEXPYOFVXONALB-UHFFFAOYSA-N 2 2 276.409 2.075 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936238 365183266 /nfs/dbraw/zinc/18/32/66/365183266.db2.gz HPKGHRKRHAULCJ-SWLSCSKDSA-N 2 2 255.365 2.087 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936238 365183269 /nfs/dbraw/zinc/18/32/69/365183269.db2.gz HPKGHRKRHAULCJ-SWLSCSKDSA-N 2 2 255.365 2.087 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000120171594 365383073 /nfs/dbraw/zinc/38/30/73/365383073.db2.gz WWFBRXLKPWPZOQ-HIFRSBDPSA-N 2 2 285.391 2.152 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000120171594 365383074 /nfs/dbraw/zinc/38/30/74/365383074.db2.gz WWFBRXLKPWPZOQ-HIFRSBDPSA-N 2 2 285.391 2.152 20 30 CEEDLP C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000172351025 367724435 /nfs/dbraw/zinc/72/44/35/367724435.db2.gz MKXCFSJDFIABSF-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000172351025 367724437 /nfs/dbraw/zinc/72/44/37/367724437.db2.gz MKXCFSJDFIABSF-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351025 367724441 /nfs/dbraw/zinc/72/44/41/367724441.db2.gz MKXCFSJDFIABSF-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP C[NH+](Cc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351025 367724443 /nfs/dbraw/zinc/72/44/43/367724443.db2.gz MKXCFSJDFIABSF-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C1CC1 ZINC000245959678 370893609 /nfs/dbraw/zinc/89/36/09/370893609.db2.gz RVBSHCNQXXIIIE-JKSUJKDBSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C1CC1 ZINC000245959678 370893612 /nfs/dbraw/zinc/89/36/12/370893612.db2.gz RVBSHCNQXXIIIE-JKSUJKDBSA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177682758 368278567 /nfs/dbraw/zinc/27/85/67/368278567.db2.gz DTTRVCIZMOLBOI-BETUJISGSA-N 2 2 293.436 2.209 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177682758 368278574 /nfs/dbraw/zinc/27/85/74/368278574.db2.gz DTTRVCIZMOLBOI-BETUJISGSA-N 2 2 293.436 2.209 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccn(C(F)F)n2)CC1 ZINC000346685095 368768005 /nfs/dbraw/zinc/76/80/05/368768005.db2.gz IHZZHEARRVCLDJ-UHFFFAOYSA-N 2 2 284.354 2.408 20 30 CEEDLP C=CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000348262812 368974404 /nfs/dbraw/zinc/97/44/04/368974404.db2.gz QDAILLPRKYKGDW-UHFFFAOYSA-N 2 2 251.399 2.355 20 30 CEEDLP C=CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000348262812 368974408 /nfs/dbraw/zinc/97/44/08/368974408.db2.gz QDAILLPRKYKGDW-UHFFFAOYSA-N 2 2 251.399 2.355 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000574338233 335011878 /nfs/dbraw/zinc/01/18/78/335011878.db2.gz SXJOIPVWQWOCOG-ZBFHGGJFSA-N 2 2 284.407 2.328 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187701665 369207182 /nfs/dbraw/zinc/20/71/82/369207182.db2.gz NUGPNIRIWNTVPQ-NVXWUHKLSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187701665 369207189 /nfs/dbraw/zinc/20/71/89/369207189.db2.gz NUGPNIRIWNTVPQ-NVXWUHKLSA-N 2 2 299.418 2.273 20 30 CEEDLP N#Cc1csc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n1 ZINC000352882067 369930314 /nfs/dbraw/zinc/93/03/14/369930314.db2.gz CHRZPQFKLNPGLK-UHFFFAOYSA-N 2 2 296.359 2.267 20 30 CEEDLP CCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264079811 371964751 /nfs/dbraw/zinc/96/47/51/371964751.db2.gz GYBZVQIVDQEOMD-UHFFFAOYSA-N 2 2 289.358 2.216 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269449873 372453437 /nfs/dbraw/zinc/45/34/37/372453437.db2.gz VLHGVPVRUOBHBO-UHFFFAOYSA-N 2 2 273.355 2.437 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000273076453 373746469 /nfs/dbraw/zinc/74/64/69/373746469.db2.gz PNBMMPGIUPHSBE-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000273076453 373746478 /nfs/dbraw/zinc/74/64/78/373746478.db2.gz PNBMMPGIUPHSBE-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000371403243 373870533 /nfs/dbraw/zinc/87/05/33/373870533.db2.gz MIWKMMSRRVPRQA-KCXAZCMYSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000371403243 373870536 /nfs/dbraw/zinc/87/05/36/373870536.db2.gz MIWKMMSRRVPRQA-KCXAZCMYSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000371403243 373870539 /nfs/dbraw/zinc/87/05/39/373870539.db2.gz MIWKMMSRRVPRQA-KCXAZCMYSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000371403243 373870543 /nfs/dbraw/zinc/87/05/43/373870543.db2.gz MIWKMMSRRVPRQA-KCXAZCMYSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000558508409 376616727 /nfs/dbraw/zinc/61/67/27/376616727.db2.gz FSWGTDZROLEEMI-GOEBONIOSA-N 2 2 278.359 2.347 20 30 CEEDLP C[C@H](CF)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290083609 376635209 /nfs/dbraw/zinc/63/52/09/376635209.db2.gz GPJVAQCDVQESQD-CYBMUJFWSA-N 2 2 275.371 2.470 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761639 376693431 /nfs/dbraw/zinc/69/34/31/376693431.db2.gz FWZNMPRKJBSXJC-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761639 376693438 /nfs/dbraw/zinc/69/34/38/376693438.db2.gz FWZNMPRKJBSXJC-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000566474363 377762176 /nfs/dbraw/zinc/76/21/76/377762176.db2.gz FOTFTXQWTPKUPQ-UHFFFAOYSA-N 2 2 260.381 2.434 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000566473476 377762228 /nfs/dbraw/zinc/76/22/28/377762228.db2.gz BFFJUWZIKPCFTB-AWEZNQCLSA-N 2 2 274.412 2.476 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000442675002 377979581 /nfs/dbraw/zinc/97/95/81/377979581.db2.gz ASKCSBONZTWBTP-CQSZACIVSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000442675002 377979587 /nfs/dbraw/zinc/97/95/87/377979587.db2.gz ASKCSBONZTWBTP-CQSZACIVSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000299189799 378929147 /nfs/dbraw/zinc/92/91/47/378929147.db2.gz CKCIRBBXOKKOPB-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000299189799 378929153 /nfs/dbraw/zinc/92/91/53/378929153.db2.gz CKCIRBBXOKKOPB-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268149367 190381303 /nfs/dbraw/zinc/38/13/03/190381303.db2.gz WDJCSTPYSBYGKH-KSSFIOAISA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268149367 190381304 /nfs/dbraw/zinc/38/13/04/190381304.db2.gz WDJCSTPYSBYGKH-KSSFIOAISA-N 2 2 284.403 2.271 20 30 CEEDLP C#C[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165369 380283955 /nfs/dbraw/zinc/28/39/55/380283955.db2.gz KOJQYEJFASCGCX-FUHWJXTLSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165369 380283961 /nfs/dbraw/zinc/28/39/61/380283961.db2.gz KOJQYEJFASCGCX-FUHWJXTLSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000491165369 380283965 /nfs/dbraw/zinc/28/39/65/380283965.db2.gz KOJQYEJFASCGCX-FUHWJXTLSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000491165369 380283972 /nfs/dbraw/zinc/28/39/72/380283972.db2.gz KOJQYEJFASCGCX-FUHWJXTLSA-N 2 2 286.419 2.231 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000554834301 380796614 /nfs/dbraw/zinc/79/66/14/380796614.db2.gz XWMSLFFKNLEKIH-HNNXBMFYSA-N 2 2 297.406 2.079 20 30 CEEDLP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970591 394610394 /nfs/dbraw/zinc/61/03/94/394610394.db2.gz MOWQRQFQLLPIRH-HZSPNIEDSA-N 2 2 289.427 2.140 20 30 CEEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)NC(C)(C)C ZINC000103895431 394716839 /nfs/dbraw/zinc/71/68/39/394716839.db2.gz XLRNRLOCJMXDSR-LLVKDONJSA-N 2 2 282.457 2.314 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1cccs1 ZINC000104154726 394717890 /nfs/dbraw/zinc/71/78/90/394717890.db2.gz PDLQLTGLRNQVQR-JTQLQIEISA-N 2 2 268.430 2.054 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000282221344 394914065 /nfs/dbraw/zinc/91/40/65/394914065.db2.gz OXKYDFUMTORCRA-ZDUSSCGKSA-N 2 2 262.401 2.030 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367619897 394966992 /nfs/dbraw/zinc/96/69/92/394966992.db2.gz PSJFEKVBTDHPKL-BRWVUGGUSA-N 3 2 277.456 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367619897 394966995 /nfs/dbraw/zinc/96/69/95/394966995.db2.gz PSJFEKVBTDHPKL-BRWVUGGUSA-N 3 2 277.456 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367619881 394967047 /nfs/dbraw/zinc/96/70/47/394967047.db2.gz PSJFEKVBTDHPKL-BBWFWOEESA-N 3 2 277.456 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367619881 394967050 /nfs/dbraw/zinc/96/70/50/394967050.db2.gz PSJFEKVBTDHPKL-BBWFWOEESA-N 3 2 277.456 2.099 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000373342063 395059445 /nfs/dbraw/zinc/05/94/45/395059445.db2.gz UXFSRWQIPVXUMR-INIZCTEOSA-N 2 2 298.430 2.353 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000373342063 395059447 /nfs/dbraw/zinc/05/94/47/395059447.db2.gz UXFSRWQIPVXUMR-INIZCTEOSA-N 2 2 298.430 2.353 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000374291663 395079467 /nfs/dbraw/zinc/07/94/67/395079467.db2.gz LDFZYVZMTYBTDB-HNNXBMFYSA-N 2 2 264.413 2.186 20 30 CEEDLP C[N@H+](CC1(C#N)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000343312611 395035814 /nfs/dbraw/zinc/03/58/14/395035814.db2.gz BRKWAUAPYKKHTL-UHFFFAOYSA-N 2 2 298.434 2.324 20 30 CEEDLP C[N@@H+](CC1(C#N)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000343312611 395035817 /nfs/dbraw/zinc/03/58/17/395035817.db2.gz BRKWAUAPYKKHTL-UHFFFAOYSA-N 2 2 298.434 2.324 20 30 CEEDLP C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343841063 395045808 /nfs/dbraw/zinc/04/58/08/395045808.db2.gz PWUZOVKETAVRFU-KRWDZBQOSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343841063 395045813 /nfs/dbraw/zinc/04/58/13/395045813.db2.gz PWUZOVKETAVRFU-KRWDZBQOSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346823132 395108616 /nfs/dbraw/zinc/10/86/16/395108616.db2.gz CCPKESHOVODFRW-WBVHZDCISA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346823132 395108618 /nfs/dbraw/zinc/10/86/18/395108618.db2.gz CCPKESHOVODFRW-WBVHZDCISA-N 2 2 290.407 2.190 20 30 CEEDLP N#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177082915 395144719 /nfs/dbraw/zinc/14/47/19/395144719.db2.gz RWAQRNLXYBZXSN-UHFFFAOYSA-N 2 2 267.336 2.003 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000442713823 395392264 /nfs/dbraw/zinc/39/22/64/395392264.db2.gz XHNUYTLQGWOATE-OLZOCXBDSA-N 2 2 254.337 2.159 20 30 CEEDLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000443956781 395406549 /nfs/dbraw/zinc/40/65/49/395406549.db2.gz ADHHHGYCFYIJBW-CYBMUJFWSA-N 2 2 254.337 2.242 20 30 CEEDLP C=CCCn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)nn1 ZINC000657300164 414842271 /nfs/dbraw/zinc/84/22/71/414842271.db2.gz JXOJXPAOGRUXSS-UHFFFAOYSA-N 2 2 299.422 2.206 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000657867917 415109443 /nfs/dbraw/zinc/10/94/43/415109443.db2.gz VYPVKHKPNLRVJC-CABCVRRESA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000657867917 415109445 /nfs/dbraw/zinc/10/94/45/415109445.db2.gz VYPVKHKPNLRVJC-CABCVRRESA-N 2 2 254.418 2.289 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687215 175231991 /nfs/dbraw/zinc/23/19/91/175231991.db2.gz NOARUWQBFARPJK-DOMZBBRYSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687215 175231992 /nfs/dbraw/zinc/23/19/92/175231992.db2.gz NOARUWQBFARPJK-DOMZBBRYSA-N 2 2 255.365 2.446 20 30 CEEDLP COc1ccccc1CNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162897403 261298319 /nfs/dbraw/zinc/29/83/19/261298319.db2.gz HYBMWPNLLWYDQO-UHFFFAOYSA-N 2 2 298.390 2.046 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C2 ZINC000364030708 262106599 /nfs/dbraw/zinc/10/65/99/262106599.db2.gz QVSBUEGYPJEMCH-IHRRRGAJSA-N 2 2 258.369 2.178 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264101887 262871438 /nfs/dbraw/zinc/87/14/38/262871438.db2.gz OMLRVQYZOMHGSW-JQWIXIFHSA-N 2 2 268.430 2.054 20 30 CEEDLP Cc1cc(C)c(NC(=O)NC[C@H](C)[NH+](C)C)c(C)[nH+]1 ZINC000331347822 264205990 /nfs/dbraw/zinc/20/59/90/264205990.db2.gz WUIXJCJZTQXNEW-NSHDSACASA-N 2 2 264.373 2.283 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]CC(C)(C)CCC#N)C2 ZINC000369690984 267258989 /nfs/dbraw/zinc/25/89/89/267258989.db2.gz ZPMVGJWBOFDUBW-CYBMUJFWSA-N 2 2 260.385 2.426 20 30 CEEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449736951 267293760 /nfs/dbraw/zinc/29/37/60/267293760.db2.gz PIICNXHIXSPYEQ-UHFFFAOYSA-N 2 2 284.338 2.448 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000135094768 280037132 /nfs/dbraw/zinc/03/71/32/280037132.db2.gz BLNFYJTTYIDDFZ-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000135094768 280037133 /nfs/dbraw/zinc/03/71/33/280037133.db2.gz BLNFYJTTYIDDFZ-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP C=CCOCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000338920343 327992201 /nfs/dbraw/zinc/99/22/01/327992201.db2.gz JMGBOOTYUMAALE-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000270690360 328193594 /nfs/dbraw/zinc/19/35/94/328193594.db2.gz FLAAAEGMIFNONU-UHFFFAOYSA-N 2 2 294.305 2.197 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1C ZINC000580902237 322353859 /nfs/dbraw/zinc/35/38/59/322353859.db2.gz FQPYTCYJGIZLSX-LLVKDONJSA-N 2 2 254.337 2.451 20 30 CEEDLP CC#CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360967879 328913538 /nfs/dbraw/zinc/91/35/38/328913538.db2.gz DWXXJOGUYGMEID-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000377550790 329018800 /nfs/dbraw/zinc/01/88/00/329018800.db2.gz RUGZTXZAYGHPMZ-MOPGFXCFSA-N 2 2 298.430 2.258 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827689 330156457 /nfs/dbraw/zinc/15/64/57/330156457.db2.gz FAWXOZPRSLGXSB-HRCADAONSA-N 3 2 265.445 2.154 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974517 330164682 /nfs/dbraw/zinc/16/46/82/330164682.db2.gz FAQAZVMXINGRRO-GDBMZVCRSA-N 3 2 265.445 2.005 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000424165710 330309276 /nfs/dbraw/zinc/30/92/76/330309276.db2.gz AVASRSLMONKWHE-JSGCOSHPSA-N 2 2 257.337 2.015 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453256986 331108289 /nfs/dbraw/zinc/10/82/89/331108289.db2.gz GSHYROCEXBLUKG-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453256986 331108290 /nfs/dbraw/zinc/10/82/90/331108290.db2.gz GSHYROCEXBLUKG-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453261609 331108721 /nfs/dbraw/zinc/10/87/21/331108721.db2.gz KBTREVKINWAQBR-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453261609 331108722 /nfs/dbraw/zinc/10/87/22/331108722.db2.gz KBTREVKINWAQBR-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCc1cc(C[NH+]2CCC([NH2+]C)CC2)cc(OC)c1O ZINC000347110547 527237353 /nfs/dbraw/zinc/23/73/53/527237353.db2.gz PNIZSMFPJQGRBA-UHFFFAOYSA-N 2 2 290.407 2.313 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329969813 529019258 /nfs/dbraw/zinc/01/92/58/529019258.db2.gz WUEJUARYHUIXBI-KBPBESRZSA-N 2 2 290.411 2.275 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329969813 529019264 /nfs/dbraw/zinc/01/92/64/529019264.db2.gz WUEJUARYHUIXBI-KBPBESRZSA-N 2 2 290.411 2.275 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000820847291 634550253 /nfs/dbraw/zinc/55/02/53/634550253.db2.gz YIVMZHLNYHLQJF-UHFFFAOYSA-N 2 2 286.375 2.486 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000820847291 634550257 /nfs/dbraw/zinc/55/02/57/634550257.db2.gz YIVMZHLNYHLQJF-UHFFFAOYSA-N 2 2 286.375 2.486 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000744738862 627695158 /nfs/dbraw/zinc/69/51/58/627695158.db2.gz PZJFNHFBEQMHLM-SFHVURJKSA-N 2 2 288.435 2.174 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000744738862 627695159 /nfs/dbraw/zinc/69/51/59/627695159.db2.gz PZJFNHFBEQMHLM-SFHVURJKSA-N 2 2 288.435 2.174 20 30 CEEDLP C=CC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001026527410 628349843 /nfs/dbraw/zinc/34/98/43/628349843.db2.gz NODGQZPGBMLLKU-UHFFFAOYSA-N 2 2 298.390 2.151 20 30 CEEDLP CCc1ccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+](C)C)cc1 ZINC000104155500 628387059 /nfs/dbraw/zinc/38/70/59/628387059.db2.gz WADOSGJJVXKCAQ-OAHLLOKOSA-N 2 2 276.428 2.164 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(C#N)c1 ZINC000894476220 629483211 /nfs/dbraw/zinc/48/32/11/629483211.db2.gz NVCPWJQFPXIKAR-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(C#N)c1 ZINC000894476220 629483215 /nfs/dbraw/zinc/48/32/15/629483215.db2.gz NVCPWJQFPXIKAR-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742540 634805163 /nfs/dbraw/zinc/80/51/63/634805163.db2.gz RXNWABRRUZKSJV-JSGCOSHPSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742540 634805171 /nfs/dbraw/zinc/80/51/71/634805171.db2.gz RXNWABRRUZKSJV-JSGCOSHPSA-N 2 2 270.380 2.088 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000986427783 631239335 /nfs/dbraw/zinc/23/93/35/631239335.db2.gz UKCKUWQZEOXFGW-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988845594 631700303 /nfs/dbraw/zinc/70/03/03/631700303.db2.gz SZWAXAFKCHVLJJ-SWLSCSKDSA-N 2 2 298.390 2.021 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000815652242 633043697 /nfs/dbraw/zinc/04/36/97/633043697.db2.gz UXJRWHVOZUVYKZ-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000815652242 633043703 /nfs/dbraw/zinc/04/37/03/633043703.db2.gz UXJRWHVOZUVYKZ-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817932576 633785219 /nfs/dbraw/zinc/78/52/19/633785219.db2.gz UACDFVXSVCOTNY-SUMWQHHRSA-N 2 2 280.375 2.001 20 30 CEEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000817942296 633791071 /nfs/dbraw/zinc/79/10/71/633791071.db2.gz NRNWCCIIGMZACO-UKPHBRMFSA-N 2 2 286.423 2.424 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819025140 634045119 /nfs/dbraw/zinc/04/51/19/634045119.db2.gz ZGJANCBSPQFKDI-INIZCTEOSA-N 2 2 278.371 2.099 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000827570202 636356912 /nfs/dbraw/zinc/35/69/12/636356912.db2.gz JFARREYODJLHFA-GOSISDBHSA-N 2 2 295.386 2.390 20 30 CEEDLP CCCC[NH+]=C(NCCn1cc[nH+]c1)NC(C)(C)C ZINC000912497683 638708439 /nfs/dbraw/zinc/70/84/39/638708439.db2.gz ZJSKKOWLRYBZKR-UHFFFAOYSA-N 2 2 265.405 2.017 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000171562852 639723070 /nfs/dbraw/zinc/72/30/70/639723070.db2.gz PFDDAXCERFQILV-CQSZACIVSA-N 2 2 273.380 2.163 20 30 CEEDLP C(=NNCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915974782 640712445 /nfs/dbraw/zinc/71/24/45/640712445.db2.gz KUNCBKLUVLRFNL-UHFFFAOYSA-N 2 2 297.406 2.282 20 30 CEEDLP CC[C@H](C)[NH2+][C@@H](CNC(NC1CC1)=[NH+]C)c1ccco1 ZINC000849023408 642236591 /nfs/dbraw/zinc/23/65/91/642236591.db2.gz QGIKIRMTMYXXOS-AAEUAGOBSA-N 2 2 278.400 2.036 20 30 CEEDLP C#CC[C@@H](COC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000858335174 645123454 /nfs/dbraw/zinc/12/34/54/645123454.db2.gz MREYSXVTFJBKIE-LBPRGKRZSA-N 2 2 275.377 2.062 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229172 647682958 /nfs/dbraw/zinc/68/29/58/647682958.db2.gz OBDBBHFFWSWOQJ-CHWSQXEVSA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229172 647682962 /nfs/dbraw/zinc/68/29/62/647682962.db2.gz OBDBBHFFWSWOQJ-CHWSQXEVSA-N 2 2 285.391 2.399 20 30 CEEDLP C=CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783331804 647709041 /nfs/dbraw/zinc/70/90/41/647709041.db2.gz ZJMMFJQJAKJWAJ-UHFFFAOYSA-N 2 2 259.397 2.497 20 30 CEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586522 651327891 /nfs/dbraw/zinc/32/78/91/651327891.db2.gz MWEWCZAFUQRWBP-KRWDZBQOSA-N 2 2 298.434 2.165 20 30 CEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586522 651327893 /nfs/dbraw/zinc/32/78/93/651327893.db2.gz MWEWCZAFUQRWBP-KRWDZBQOSA-N 2 2 298.434 2.165 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1c1cc[nH+]cc1 ZINC000880259351 651411852 /nfs/dbraw/zinc/41/18/52/651411852.db2.gz QOANLTHUQNRLEX-CYBMUJFWSA-N 2 2 282.347 2.257 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1c1cc[nH+]cc1 ZINC000880259351 651411854 /nfs/dbraw/zinc/41/18/54/651411854.db2.gz QOANLTHUQNRLEX-CYBMUJFWSA-N 2 2 282.347 2.257 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000883131057 652371947 /nfs/dbraw/zinc/37/19/47/652371947.db2.gz DTSIEGOKSRVCGF-UHFFFAOYSA-N 2 2 291.395 2.480 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000883131057 652371951 /nfs/dbraw/zinc/37/19/51/652371951.db2.gz DTSIEGOKSRVCGF-UHFFFAOYSA-N 2 2 291.395 2.480 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977769 805512743 /nfs/dbraw/zinc/51/27/43/805512743.db2.gz JCDJZISWBPVDOR-KGLIPLIRSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977769 805512747 /nfs/dbraw/zinc/51/27/47/805512747.db2.gz JCDJZISWBPVDOR-KGLIPLIRSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCO[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370896 815216552 /nfs/dbraw/zinc/21/65/52/815216552.db2.gz JASZLZFKGSCUNO-KGLIPLIRSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CCO[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370896 815216554 /nfs/dbraw/zinc/21/65/54/815216554.db2.gz JASZLZFKGSCUNO-KGLIPLIRSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874690 809439024 /nfs/dbraw/zinc/43/90/24/809439024.db2.gz FCIAMKZPPHCCKT-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874690 809439027 /nfs/dbraw/zinc/43/90/27/809439027.db2.gz FCIAMKZPPHCCKT-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000701826187 809466156 /nfs/dbraw/zinc/46/61/56/809466156.db2.gz IJVWNJZLOJVWIN-XJKSGUPXSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000701826187 809466160 /nfs/dbraw/zinc/46/61/60/809466160.db2.gz IJVWNJZLOJVWIN-XJKSGUPXSA-N 2 2 257.381 2.439 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673089 810874105 /nfs/dbraw/zinc/87/41/05/810874105.db2.gz PSIMPJBMWVXETQ-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673089 810874111 /nfs/dbraw/zinc/87/41/11/810874111.db2.gz PSIMPJBMWVXETQ-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044648478 811518955 /nfs/dbraw/zinc/51/89/55/811518955.db2.gz NXMGTUMWNDGHPA-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113438795 812241450 /nfs/dbraw/zinc/24/14/50/812241450.db2.gz HFQHJCYRARQGDL-UHFFFAOYSA-N 2 2 295.471 2.219 20 30 CEEDLP N#CC1(c2ccccc2)CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001170358883 812394191 /nfs/dbraw/zinc/39/41/91/812394191.db2.gz CAZBIXDJTRVWRM-ADKAHSJRSA-N 2 2 299.418 2.050 20 30 CEEDLP N#CC1(c2ccccc2)CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001170358883 812394200 /nfs/dbraw/zinc/39/42/00/812394200.db2.gz CAZBIXDJTRVWRM-ADKAHSJRSA-N 2 2 299.418 2.050 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C#N)c1 ZINC001206187527 815571494 /nfs/dbraw/zinc/57/14/94/815571494.db2.gz UFTOKIABHSOIKV-GJZGRUSLSA-N 2 2 261.344 2.128 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C#N)c1 ZINC001206187527 815571498 /nfs/dbraw/zinc/57/14/98/815571498.db2.gz UFTOKIABHSOIKV-GJZGRUSLSA-N 2 2 261.344 2.128 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231050 813235637 /nfs/dbraw/zinc/23/56/37/813235637.db2.gz ZCYBAKHVHTXXHX-ZIAGYGMSSA-N 2 2 292.427 2.181 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC000392778823 813306652 /nfs/dbraw/zinc/30/66/52/813306652.db2.gz OSZUQSFPXHOBKG-UHFFFAOYSA-N 2 2 250.773 2.385 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC000392778823 813306659 /nfs/dbraw/zinc/30/66/59/813306659.db2.gz OSZUQSFPXHOBKG-UHFFFAOYSA-N 2 2 250.773 2.385 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000392839860 813308571 /nfs/dbraw/zinc/30/85/71/813308571.db2.gz NSWAEMIZTXXRDB-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000392839860 813308579 /nfs/dbraw/zinc/30/85/79/813308579.db2.gz NSWAEMIZTXXRDB-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1[nH+]ccn1C ZINC001171204223 814148313 /nfs/dbraw/zinc/14/83/13/814148313.db2.gz UPBZQUIDGYHPEW-ZDUSSCGKSA-N 2 2 268.364 2.055 20 30 CEEDLP C=C(C)CC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458525 814288653 /nfs/dbraw/zinc/28/86/53/814288653.db2.gz KQHGBIIPMRIOSP-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP CC[NH+](CC)C1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001173106217 815581513 /nfs/dbraw/zinc/58/15/13/815581513.db2.gz KBZKCMRGGSNYEL-UHFFFAOYSA-N 2 2 279.428 2.302 20 30 CEEDLP C=C[C@@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001116643450 814872047 /nfs/dbraw/zinc/87/20/47/814872047.db2.gz OXPKZIKYKNLCTK-AWEZNQCLSA-N 2 2 257.337 2.163 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351453 816554078 /nfs/dbraw/zinc/55/40/78/816554078.db2.gz CGKOBRDSYYXHRK-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000601998904 346954015 /nfs/dbraw/zinc/95/40/15/346954015.db2.gz QWBAEIOQBVSUNX-UHFFFAOYSA-N 2 2 273.355 2.414 20 30 CEEDLP C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093090475 344214208 /nfs/dbraw/zinc/21/42/08/344214208.db2.gz VSCQOMNEQWHMHY-AWEZNQCLSA-N 2 2 275.396 2.361 20 30 CEEDLP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093090475 344214210 /nfs/dbraw/zinc/21/42/10/344214210.db2.gz VSCQOMNEQWHMHY-AWEZNQCLSA-N 2 2 275.396 2.361 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000602455584 347040665 /nfs/dbraw/zinc/04/06/65/347040665.db2.gz UHGPNPVNGHMQII-LBPRGKRZSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000602455584 347040667 /nfs/dbraw/zinc/04/06/67/347040667.db2.gz UHGPNPVNGHMQII-LBPRGKRZSA-N 2 2 267.336 2.056 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000592085002 345320678 /nfs/dbraw/zinc/32/06/78/345320678.db2.gz YCCICARNFPLMMH-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000592085002 345320680 /nfs/dbraw/zinc/32/06/80/345320680.db2.gz YCCICARNFPLMMH-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C#N)c[nH+]1 ZINC000591817992 345283746 /nfs/dbraw/zinc/28/37/46/345283746.db2.gz KAFAQGMAUKJWCP-UHFFFAOYSA-N 2 2 272.396 2.405 20 30 CEEDLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000593944207 345554425 /nfs/dbraw/zinc/55/44/25/345554425.db2.gz UENKBGHFZJGBCN-WDEREUQCSA-N 2 2 265.361 2.199 20 30 CEEDLP C[C@@H](CC[NH2+]Cc1cccc(C#N)n1)[NH+]1CCCCC1 ZINC000602607722 347099266 /nfs/dbraw/zinc/09/92/66/347099266.db2.gz JPSDQUVJLZXNCN-AWEZNQCLSA-N 2 2 272.396 2.307 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729731 /nfs/dbraw/zinc/72/97/31/347729731.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729735 /nfs/dbraw/zinc/72/97/35/347729735.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729737 /nfs/dbraw/zinc/72/97/37/347729737.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729739 /nfs/dbraw/zinc/72/97/39/347729739.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000610994849 347730315 /nfs/dbraw/zinc/73/03/15/347730315.db2.gz USPDVKSTDUUDDO-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000610994849 347730318 /nfs/dbraw/zinc/73/03/18/347730318.db2.gz USPDVKSTDUUDDO-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694803 539945071 /nfs/dbraw/zinc/94/50/71/539945071.db2.gz FYJVFAYEFDHIKH-OAHLLOKOSA-N 2 2 287.407 2.049 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694803 539945074 /nfs/dbraw/zinc/94/50/74/539945074.db2.gz FYJVFAYEFDHIKH-OAHLLOKOSA-N 2 2 287.407 2.049 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000152354776 188012632 /nfs/dbraw/zinc/01/26/32/188012632.db2.gz OTSSSVARMZUAQR-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000152354776 188012633 /nfs/dbraw/zinc/01/26/33/188012633.db2.gz OTSSSVARMZUAQR-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000152354776 188012635 /nfs/dbraw/zinc/01/26/35/188012635.db2.gz OTSSSVARMZUAQR-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152354776 188012636 /nfs/dbraw/zinc/01/26/36/188012636.db2.gz OTSSSVARMZUAQR-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC=C)CC2)cc1 ZINC000172119939 188782302 /nfs/dbraw/zinc/78/23/02/188782302.db2.gz WDJDUHQZNPUZDP-UHFFFAOYSA-N 2 2 284.403 2.439 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151121098 366622548 /nfs/dbraw/zinc/62/25/48/366622548.db2.gz SXGVCAGKDLANBU-GOEBONIOSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151121098 366622553 /nfs/dbraw/zinc/62/25/53/366622553.db2.gz SXGVCAGKDLANBU-GOEBONIOSA-N 2 2 284.403 2.413 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccccc1 ZINC000170905654 367445298 /nfs/dbraw/zinc/44/52/98/367445298.db2.gz ZKBQABIBXJCSDV-AWEZNQCLSA-N 2 2 283.379 2.111 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714682 370862327 /nfs/dbraw/zinc/86/23/27/370862327.db2.gz CSEKGOHCNYHLAZ-IUODEOHRSA-N 2 2 259.353 2.067 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714682 370862328 /nfs/dbraw/zinc/86/23/28/370862328.db2.gz CSEKGOHCNYHLAZ-IUODEOHRSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714682 370862331 /nfs/dbraw/zinc/86/23/31/370862331.db2.gz CSEKGOHCNYHLAZ-IUODEOHRSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714682 370862334 /nfs/dbraw/zinc/86/23/34/370862334.db2.gz CSEKGOHCNYHLAZ-IUODEOHRSA-N 2 2 259.353 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000181981196 368512156 /nfs/dbraw/zinc/51/21/56/368512156.db2.gz AESPSOUVAMBMPJ-QZTJIDSGSA-N 2 2 299.418 2.026 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985013 296133188 /nfs/dbraw/zinc/13/31/88/296133188.db2.gz XUHIUYBMOPNFTI-BXUZGUMPSA-N 2 2 261.344 2.442 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985013 296133190 /nfs/dbraw/zinc/13/31/90/296133190.db2.gz XUHIUYBMOPNFTI-BXUZGUMPSA-N 2 2 261.344 2.442 20 30 CEEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246824459 371017176 /nfs/dbraw/zinc/01/71/76/371017176.db2.gz NWRFMOJZAQQRIN-INMHGKMJSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246824459 371017181 /nfs/dbraw/zinc/01/71/81/371017181.db2.gz NWRFMOJZAQQRIN-INMHGKMJSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246824459 371017187 /nfs/dbraw/zinc/01/71/87/371017187.db2.gz NWRFMOJZAQQRIN-INMHGKMJSA-N 2 2 286.423 2.379 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000270413264 372778229 /nfs/dbraw/zinc/77/82/29/372778229.db2.gz CNHLFIRAWPGWHC-AWEZNQCLSA-N 2 2 274.408 2.480 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989420 374236736 /nfs/dbraw/zinc/23/67/36/374236736.db2.gz JTZDFNSOYWEVRP-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989420 374236742 /nfs/dbraw/zinc/23/67/42/374236742.db2.gz JTZDFNSOYWEVRP-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000277168968 374425271 /nfs/dbraw/zinc/42/52/71/374425271.db2.gz KPVRLXLFHIKRNC-QGZVFWFLSA-N 2 2 256.393 2.454 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000277168968 374425285 /nfs/dbraw/zinc/42/52/85/374425285.db2.gz KPVRLXLFHIKRNC-QGZVFWFLSA-N 2 2 256.393 2.454 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376767162 374731378 /nfs/dbraw/zinc/73/13/78/374731378.db2.gz HLKBSHHYCWKMMU-UHFFFAOYSA-N 2 2 266.348 2.381 20 30 CEEDLP C[C@H](CC[NH+]1CCC(C#N)CC1)[NH+]1CCC(C#N)CC1 ZINC000408385386 375467047 /nfs/dbraw/zinc/46/70/47/375467047.db2.gz KEAAZLIPOGHEFD-CQSZACIVSA-N 2 2 274.412 2.236 20 30 CEEDLP C[C@@H](CC[NH+]1CCC(C#N)CC1)[NH+]1CCC(C#N)CC1 ZINC000408385384 375467180 /nfs/dbraw/zinc/46/71/80/375467180.db2.gz KEAAZLIPOGHEFD-AWEZNQCLSA-N 2 2 274.412 2.236 20 30 CEEDLP C[C@@H](CC#N)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945914 376746145 /nfs/dbraw/zinc/74/61/45/376746145.db2.gz ZJMJOJVNWNDMLB-HNNXBMFYSA-N 2 2 287.407 2.253 20 30 CEEDLP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945914 376746153 /nfs/dbraw/zinc/74/61/53/376746153.db2.gz ZJMJOJVNWNDMLB-HNNXBMFYSA-N 2 2 287.407 2.253 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000563709448 377281198 /nfs/dbraw/zinc/28/11/98/377281198.db2.gz UBMIJAOZBPMIRR-HOTGVXAUSA-N 2 2 276.428 2.388 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000563709448 377281200 /nfs/dbraw/zinc/28/12/00/377281200.db2.gz UBMIJAOZBPMIRR-HOTGVXAUSA-N 2 2 276.428 2.388 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000264950943 190146993 /nfs/dbraw/zinc/14/69/93/190146993.db2.gz KRRTUPGCVJJWEK-AWEZNQCLSA-N 2 2 269.348 2.073 20 30 CEEDLP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C#N)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000332269447 377555625 /nfs/dbraw/zinc/55/56/25/377555625.db2.gz CDVRPFNUGRWVQX-OXGONZEZSA-N 2 2 274.412 2.329 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000294547237 377996037 /nfs/dbraw/zinc/99/60/37/377996037.db2.gz AZFODAQXNPHAQX-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000294547237 377996043 /nfs/dbraw/zinc/99/60/43/377996043.db2.gz AZFODAQXNPHAQX-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000294957023 378031296 /nfs/dbraw/zinc/03/12/96/378031296.db2.gz IZYSWMFSUBXTHA-INIZCTEOSA-N 3 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000294957023 378031298 /nfs/dbraw/zinc/03/12/98/378031298.db2.gz IZYSWMFSUBXTHA-INIZCTEOSA-N 3 2 296.418 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000295079113 378040105 /nfs/dbraw/zinc/04/01/05/378040105.db2.gz SYPGKOZXRHSRLC-ZDUSSCGKSA-N 2 2 276.380 2.007 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000295079113 378040109 /nfs/dbraw/zinc/04/01/09/378040109.db2.gz SYPGKOZXRHSRLC-ZDUSSCGKSA-N 2 2 276.380 2.007 20 30 CEEDLP C=C(Br)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267475396 190332916 /nfs/dbraw/zinc/33/29/16/190332916.db2.gz FUJYAMYFZHUPDW-UHFFFAOYSA-N 2 2 270.174 2.498 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000547979515 380481884 /nfs/dbraw/zinc/48/18/84/380481884.db2.gz DYZTXXXMZSLOHB-SWLSCSKDSA-N 2 2 266.348 2.420 20 30 CEEDLP CC#CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364473004 262248146 /nfs/dbraw/zinc/24/81/46/262248146.db2.gz ZJFFRBWVDPODGZ-DOMZBBRYSA-N 2 2 277.437 2.275 20 30 CEEDLP CC#CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364473004 262248148 /nfs/dbraw/zinc/24/81/48/262248148.db2.gz ZJFFRBWVDPODGZ-DOMZBBRYSA-N 2 2 277.437 2.275 20 30 CEEDLP CC[NH+]=C(NCC1CC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931075 394609468 /nfs/dbraw/zinc/60/94/68/394609468.db2.gz BJSIDCUMNNCLLB-UKRRQHHQSA-N 2 2 289.427 2.142 20 30 CEEDLP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970592 394610370 /nfs/dbraw/zinc/61/03/70/394610370.db2.gz MOWQRQFQLLPIRH-MELADBBJSA-N 2 2 289.427 2.140 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)NC(C)(C)C ZINC000103895426 394716822 /nfs/dbraw/zinc/71/68/22/394716822.db2.gz XLRNRLOCJMXDSR-NSHDSACASA-N 2 2 282.457 2.314 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000342820300 395023674 /nfs/dbraw/zinc/02/36/74/395023674.db2.gz IEDXQERYIXWAOX-UHFFFAOYSA-N 2 2 272.396 2.452 20 30 CEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289715536 395084627 /nfs/dbraw/zinc/08/46/27/395084627.db2.gz GNDXGOVFIAKKQT-GOSISDBHSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[NH+](Cc1cccc(C#N)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289715536 395084633 /nfs/dbraw/zinc/08/46/33/395084633.db2.gz GNDXGOVFIAKKQT-GOSISDBHSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289715536 395084637 /nfs/dbraw/zinc/08/46/37/395084637.db2.gz GNDXGOVFIAKKQT-GOSISDBHSA-N 2 2 299.418 2.001 20 30 CEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289715536 395084641 /nfs/dbraw/zinc/08/46/41/395084641.db2.gz GNDXGOVFIAKKQT-GOSISDBHSA-N 2 2 299.418 2.001 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289784850 395086418 /nfs/dbraw/zinc/08/64/18/395086418.db2.gz MWUKOTJXHMLXJR-GXTWGEPZSA-N 2 2 257.337 2.070 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000352901165 395274386 /nfs/dbraw/zinc/27/43/86/395274386.db2.gz LASJJNQERVQVMU-YOEHRIQHSA-N 2 2 277.456 2.099 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218454 395455302 /nfs/dbraw/zinc/45/53/02/395455302.db2.gz WDXVIAKIOJMURZ-HOTGVXAUSA-N 2 2 267.376 2.420 20 30 CEEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573068626 395599403 /nfs/dbraw/zinc/59/94/03/395599403.db2.gz WXXJMJMGLZEOHX-ZIAGYGMSSA-N 2 2 262.401 2.140 20 30 CEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573068624 395599439 /nfs/dbraw/zinc/59/94/39/395599439.db2.gz WXXJMJMGLZEOHX-KGLIPLIRSA-N 2 2 262.401 2.140 20 30 CEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cn1 ZINC000569305623 395576345 /nfs/dbraw/zinc/57/63/45/395576345.db2.gz XNJOSQNARVRVPM-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cn1 ZINC000569305623 395576348 /nfs/dbraw/zinc/57/63/48/395576348.db2.gz XNJOSQNARVRVPM-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cn1 ZINC000569305623 395576350 /nfs/dbraw/zinc/57/63/50/395576350.db2.gz XNJOSQNARVRVPM-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cn1 ZINC000569305623 395576352 /nfs/dbraw/zinc/57/63/52/395576352.db2.gz XNJOSQNARVRVPM-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1(O)CCC1)C(C)C ZINC000569686116 395580322 /nfs/dbraw/zinc/58/03/22/395580322.db2.gz BFQUCHQNCMRQCZ-OAHLLOKOSA-N 2 2 266.429 2.190 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647181342 396431722 /nfs/dbraw/zinc/43/17/22/396431722.db2.gz XUMUGGUXEDGNKO-UHFFFAOYSA-N 2 2 297.406 2.007 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178594 157194052 /nfs/dbraw/zinc/19/40/52/157194052.db2.gz RZZLEUFDYPJWEB-WBAXXEDZSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178594 157194055 /nfs/dbraw/zinc/19/40/55/157194055.db2.gz RZZLEUFDYPJWEB-WBAXXEDZSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178591 157195021 /nfs/dbraw/zinc/19/50/21/157195021.db2.gz RZZLEUFDYPJWEB-BMGDILEWSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178591 157195022 /nfs/dbraw/zinc/19/50/22/157195022.db2.gz RZZLEUFDYPJWEB-BMGDILEWSA-N 2 2 299.418 2.462 20 30 CEEDLP C=CCOCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658209718 415256509 /nfs/dbraw/zinc/25/65/09/415256509.db2.gz JNLRBZILPSAPAV-UHFFFAOYSA-N 2 2 275.396 2.233 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330283525 228092042 /nfs/dbraw/zinc/09/20/42/228092042.db2.gz WFSMFMDOSUIGNZ-XJFOESAGSA-N 2 2 290.411 2.416 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330283525 228092044 /nfs/dbraw/zinc/09/20/44/228092044.db2.gz WFSMFMDOSUIGNZ-XJFOESAGSA-N 2 2 290.411 2.416 20 30 CEEDLP CC#CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364473005 262248085 /nfs/dbraw/zinc/24/80/85/262248085.db2.gz ZJFFRBWVDPODGZ-IUODEOHRSA-N 2 2 277.437 2.275 20 30 CEEDLP CC#CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364473005 262248086 /nfs/dbraw/zinc/24/80/86/262248086.db2.gz ZJFFRBWVDPODGZ-IUODEOHRSA-N 2 2 277.437 2.275 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@@H](C)[NH2+]CC)cc(OC)c1O ZINC000414938731 263146072 /nfs/dbraw/zinc/14/60/72/263146072.db2.gz DLTSPZORUNIHPV-GFCCVEGCSA-N 2 2 278.396 2.217 20 30 CEEDLP C#CCC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209242 267372474 /nfs/dbraw/zinc/37/24/74/267372474.db2.gz SNWQKWDULFKQAY-UHFFFAOYSA-N 2 2 257.381 2.001 20 30 CEEDLP C#CCC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209242 267372477 /nfs/dbraw/zinc/37/24/77/267372477.db2.gz SNWQKWDULFKQAY-UHFFFAOYSA-N 2 2 257.381 2.001 20 30 CEEDLP N#CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000580273635 327755098 /nfs/dbraw/zinc/75/50/98/327755098.db2.gz NXCDTXXRVHAUOM-UHFFFAOYSA-N 2 2 252.321 2.266 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1C ZINC000580902238 322353794 /nfs/dbraw/zinc/35/37/94/322353794.db2.gz FQPYTCYJGIZLSX-NSHDSACASA-N 2 2 254.337 2.451 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375266987 329002216 /nfs/dbraw/zinc/00/22/16/329002216.db2.gz HRONQADYTOPJMK-QWHCGFSZSA-N 2 2 258.369 2.391 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173906638 329153603 /nfs/dbraw/zinc/15/36/03/329153603.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173906638 329153605 /nfs/dbraw/zinc/15/36/05/329153605.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173906638 329153606 /nfs/dbraw/zinc/15/36/06/329153606.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173906638 329153608 /nfs/dbraw/zinc/15/36/08/329153608.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C#CCSCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000181094020 329226052 /nfs/dbraw/zinc/22/60/52/329226052.db2.gz YJWDBFPVDFFXAU-UHFFFAOYSA-N 2 2 289.448 2.002 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185752875 329331100 /nfs/dbraw/zinc/33/11/00/329331100.db2.gz RSDKXKDZFQIFAT-ARFHVFGLSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185752875 329331101 /nfs/dbraw/zinc/33/11/01/329331101.db2.gz RSDKXKDZFQIFAT-ARFHVFGLSA-N 2 2 279.428 2.015 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422976146 330162328 /nfs/dbraw/zinc/16/23/28/330162328.db2.gz HTNKMHVOMHPHHP-JKSUJKDBSA-N 3 2 265.445 2.277 20 30 CEEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573134494 334911550 /nfs/dbraw/zinc/91/15/50/334911550.db2.gz LJIBDDDZESVOKI-QGZVFWFLSA-N 2 2 287.407 2.301 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597400 534782962 /nfs/dbraw/zinc/78/29/62/534782962.db2.gz NUFKFNFDQYASJP-CYBMUJFWSA-N 2 2 259.353 2.069 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597400 534782966 /nfs/dbraw/zinc/78/29/66/534782966.db2.gz NUFKFNFDQYASJP-CYBMUJFWSA-N 2 2 259.353 2.069 20 30 CEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222393 613862491 /nfs/dbraw/zinc/86/24/91/613862491.db2.gz AHPYGWCNVALQFZ-KGLIPLIRSA-N 2 2 298.390 2.151 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001022080577 623691814 /nfs/dbraw/zinc/69/18/14/623691814.db2.gz HYGBBXSDBRMMSJ-GASCZTMLSA-N 2 2 298.390 2.069 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000328133319 627859323 /nfs/dbraw/zinc/85/93/23/627859323.db2.gz XEIAARXXDJRGEZ-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000328133319 627859327 /nfs/dbraw/zinc/85/93/27/627859327.db2.gz XEIAARXXDJRGEZ-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(C#N)c1 ZINC000925624626 628318126 /nfs/dbraw/zinc/31/81/26/628318126.db2.gz YZBZQDVKTTTWRC-LUGAZPNWSA-N 2 2 267.376 2.205 20 30 CEEDLP N#C[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977523 /nfs/dbraw/zinc/97/75/23/628977523.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 2 2 274.412 2.238 20 30 CEEDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(C#N)ccn1 ZINC000902741570 634805625 /nfs/dbraw/zinc/80/56/25/634805625.db2.gz DNPUKSMXOZBRCI-CYBMUJFWSA-N 2 2 295.390 2.379 20 30 CEEDLP C=CC[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000985534916 631123592 /nfs/dbraw/zinc/12/35/92/631123592.db2.gz LKAWCXMWUPOZBO-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000985534916 631123595 /nfs/dbraw/zinc/12/35/95/631123595.db2.gz LKAWCXMWUPOZBO-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP COc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000817916350 633775001 /nfs/dbraw/zinc/77/50/01/633775001.db2.gz WXHLWIMYYWIWTF-NSHDSACASA-N 2 2 282.347 2.225 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000819022548 634042759 /nfs/dbraw/zinc/04/27/59/634042759.db2.gz QXOPIHAMTIKTRJ-KRWDZBQOSA-N 2 2 292.398 2.408 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793313 634835386 /nfs/dbraw/zinc/83/53/86/634835386.db2.gz HEIMBFNOJLQJFQ-KURKYZTESA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793313 634835389 /nfs/dbraw/zinc/83/53/89/634835389.db2.gz HEIMBFNOJLQJFQ-KURKYZTESA-N 2 2 299.418 2.462 20 30 CEEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876964212 650510671 /nfs/dbraw/zinc/51/06/71/650510671.db2.gz VGQAXAXRUJFRPC-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876964212 650510674 /nfs/dbraw/zinc/51/06/74/650510674.db2.gz VGQAXAXRUJFRPC-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC(C)C ZINC000072593291 641942544 /nfs/dbraw/zinc/94/25/44/641942544.db2.gz WUANHWMTRZFTMX-AWEZNQCLSA-N 2 2 292.427 2.380 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921701937 642547924 /nfs/dbraw/zinc/54/79/24/642547924.db2.gz FETJMKXDPYUXHX-UHFFFAOYSA-N 2 2 274.412 2.348 20 30 CEEDLP C#CCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000852751880 643536204 /nfs/dbraw/zinc/53/62/04/643536204.db2.gz JJYNJHQIUTUKLY-UHFFFAOYSA-N 2 2 283.375 2.344 20 30 CEEDLP C#CCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000852751880 643536209 /nfs/dbraw/zinc/53/62/09/643536209.db2.gz JJYNJHQIUTUKLY-UHFFFAOYSA-N 2 2 283.375 2.344 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000858420862 645152972 /nfs/dbraw/zinc/15/29/72/645152972.db2.gz JUEIMFUUIMEXBJ-GFCCVEGCSA-N 2 2 263.410 2.065 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000858420862 645152974 /nfs/dbraw/zinc/15/29/74/645152974.db2.gz JUEIMFUUIMEXBJ-GFCCVEGCSA-N 2 2 263.410 2.065 20 30 CEEDLP CCCCCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000863540015 646751122 /nfs/dbraw/zinc/75/11/22/646751122.db2.gz POGQRKRUWZKKDI-CABCVRRESA-N 2 2 254.418 2.313 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C#N ZINC000879578810 651325645 /nfs/dbraw/zinc/32/56/45/651325645.db2.gz HFEZSKKVRXRALD-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C#N ZINC000879578810 651325646 /nfs/dbraw/zinc/32/56/46/651325646.db2.gz HFEZSKKVRXRALD-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C#N ZINC000879578810 651325647 /nfs/dbraw/zinc/32/56/47/651325647.db2.gz HFEZSKKVRXRALD-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C#N ZINC000879578810 651325648 /nfs/dbraw/zinc/32/56/48/651325648.db2.gz HFEZSKKVRXRALD-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000883131047 652371838 /nfs/dbraw/zinc/37/18/38/652371838.db2.gz DFBOELFBKPFVJY-UHFFFAOYSA-N 2 2 267.323 2.064 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000883131047 652371839 /nfs/dbraw/zinc/37/18/39/652371839.db2.gz DFBOELFBKPFVJY-UHFFFAOYSA-N 2 2 267.323 2.064 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000883131596 652372734 /nfs/dbraw/zinc/37/27/34/652372734.db2.gz JSCRYIVPUIHTJN-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000883131596 652372735 /nfs/dbraw/zinc/37/27/35/652372735.db2.gz JSCRYIVPUIHTJN-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C=CCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001209162235 802478144 /nfs/dbraw/zinc/47/81/44/802478144.db2.gz WCKBOWXEXSCXQR-UHFFFAOYSA-N 2 2 291.443 2.290 20 30 CEEDLP C=CCCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001209162235 802478146 /nfs/dbraw/zinc/47/81/46/802478146.db2.gz WCKBOWXEXSCXQR-UHFFFAOYSA-N 2 2 291.443 2.290 20 30 CEEDLP C=CCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209162235 802478150 /nfs/dbraw/zinc/47/81/50/802478150.db2.gz WCKBOWXEXSCXQR-UHFFFAOYSA-N 2 2 291.443 2.290 20 30 CEEDLP C=CCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209162235 802478153 /nfs/dbraw/zinc/47/81/53/802478153.db2.gz WCKBOWXEXSCXQR-UHFFFAOYSA-N 2 2 291.443 2.290 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429318 802802706 /nfs/dbraw/zinc/80/27/06/802802706.db2.gz RPGPLVJUOZTXOR-CABCVRRESA-N 2 2 292.427 2.285 20 30 CEEDLP C[NH+]1CCN(c2ccc([NH2+]CCCS)cc2)CC1 ZINC001171002220 813736119 /nfs/dbraw/zinc/73/61/19/813736119.db2.gz KDPJBFOJCCEZGP-UHFFFAOYSA-N 2 2 265.426 2.170 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001117795562 814952147 /nfs/dbraw/zinc/95/21/47/814952147.db2.gz WSSOZLHSLNNDJF-DOMZBBRYSA-N 2 2 298.346 2.105 20 30 CEEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940683 810246467 /nfs/dbraw/zinc/24/64/67/810246467.db2.gz LELJINKGGVGEBV-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940683 810246473 /nfs/dbraw/zinc/24/64/73/810246473.db2.gz LELJINKGGVGEBV-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1CC[NH3+] ZINC001172294947 815386089 /nfs/dbraw/zinc/38/60/89/815386089.db2.gz OEXBEHAWHMMXFV-LBPRGKRZSA-N 2 2 254.337 2.060 20 30 CEEDLP Cc1cc(N2CC[NH+]([C@H](C)CCCC#N)CC2)nc(C)[nH+]1 ZINC001172507133 815457725 /nfs/dbraw/zinc/45/77/25/815457725.db2.gz PQIKGRMBVQGBOE-CQSZACIVSA-N 2 2 287.411 2.298 20 30 CEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483818 812546916 /nfs/dbraw/zinc/54/69/16/812546916.db2.gz PWIRFJZRAAOAGR-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054797846 812651040 /nfs/dbraw/zinc/65/10/40/812651040.db2.gz MHLKWNFDUOWIPK-WBMJQRKESA-N 2 2 298.390 2.189 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000392773461 813307600 /nfs/dbraw/zinc/30/76/00/813307600.db2.gz FFUYYEDDYSBKRV-UHFFFAOYSA-N 2 2 286.419 2.445 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000392773461 813307606 /nfs/dbraw/zinc/30/76/06/813307606.db2.gz FFUYYEDDYSBKRV-UHFFFAOYSA-N 2 2 286.419 2.445 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136132 813373438 /nfs/dbraw/zinc/37/34/38/813373438.db2.gz GDLJFQRNFWUCFT-LSDHHAIUSA-N 2 2 292.427 2.112 20 30 CEEDLP CCCCCCCC[C@@H](O)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246019690 813663011 /nfs/dbraw/zinc/66/30/11/813663011.db2.gz JJKCYWIAUSLRLF-CVEARBPZSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@@H](O)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246019690 813663015 /nfs/dbraw/zinc/66/30/15/813663015.db2.gz JJKCYWIAUSLRLF-CVEARBPZSA-N 2 2 286.460 2.018 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001171178575 814058876 /nfs/dbraw/zinc/05/88/76/814058876.db2.gz HFISRFZKKLRYLZ-BBRMVZONSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001171178575 814058882 /nfs/dbraw/zinc/05/88/82/814058882.db2.gz HFISRFZKKLRYLZ-BBRMVZONSA-N 2 2 257.381 2.173 20 30 CEEDLP C#Cc1cc(Nc2ccccc2C[NH+](C)C)cc[nH+]1 ZINC001173927676 815861349 /nfs/dbraw/zinc/86/13/49/815861349.db2.gz MUWGOXBFQXQDLL-UHFFFAOYSA-N 2 2 251.333 2.290 20 30 CEEDLP Cn1c[nH+]cc1C1CC[NH+](CCCSCC#N)CC1 ZINC001176977959 816503134 /nfs/dbraw/zinc/50/31/34/816503134.db2.gz OYCSATABQWAQNZ-UHFFFAOYSA-N 2 2 278.425 2.246 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CC1 ZINC000121576235 539028629 /nfs/dbraw/zinc/02/86/29/539028629.db2.gz WPXAUUSSILQQBD-INIZCTEOSA-N 2 2 266.429 2.432 20 30 CEEDLP COCC#CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000677819264 539270075 /nfs/dbraw/zinc/27/00/75/539270075.db2.gz VPWAZBSDEMTDDW-UHFFFAOYSA-N 2 2 286.419 2.233 20 30 CEEDLP COCC#CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000677819264 539270076 /nfs/dbraw/zinc/27/00/76/539270076.db2.gz VPWAZBSDEMTDDW-UHFFFAOYSA-N 2 2 286.419 2.233 20 30 CEEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002095 346954762 /nfs/dbraw/zinc/95/47/62/346954762.db2.gz PJFLVWLCYFXPQD-LBPRGKRZSA-N 2 2 261.344 2.129 20 30 CEEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002095 346954764 /nfs/dbraw/zinc/95/47/64/346954764.db2.gz PJFLVWLCYFXPQD-LBPRGKRZSA-N 2 2 261.344 2.129 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126527 344380115 /nfs/dbraw/zinc/38/01/15/344380115.db2.gz WKQVZCAYLAWODX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126527 344380116 /nfs/dbraw/zinc/38/01/16/344380116.db2.gz WKQVZCAYLAWODX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126527 344380117 /nfs/dbraw/zinc/38/01/17/344380117.db2.gz WKQVZCAYLAWODX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126527 344380119 /nfs/dbraw/zinc/38/01/19/344380119.db2.gz WKQVZCAYLAWODX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP C=C(Br)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000370192444 267297820 /nfs/dbraw/zinc/29/78/20/267297820.db2.gz QYKGLADDIMJLFE-UHFFFAOYSA-N 2 2 270.174 2.429 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000592290811 345341890 /nfs/dbraw/zinc/34/18/90/345341890.db2.gz GKVYSIBKSCVQMI-UHFFFAOYSA-N 2 2 284.407 2.313 20 30 CEEDLP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000593944206 345554634 /nfs/dbraw/zinc/55/46/34/345554634.db2.gz UENKBGHFZJGBCN-QWRGUYRKSA-N 2 2 265.361 2.199 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504599 345797267 /nfs/dbraw/zinc/79/72/67/345797267.db2.gz KJVYPCXDUBTLOW-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504599 345797271 /nfs/dbraw/zinc/79/72/71/345797271.db2.gz KJVYPCXDUBTLOW-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504599 345797273 /nfs/dbraw/zinc/79/72/73/345797273.db2.gz KJVYPCXDUBTLOW-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504599 345797276 /nfs/dbraw/zinc/79/72/76/345797276.db2.gz KJVYPCXDUBTLOW-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768133 345871687 /nfs/dbraw/zinc/87/16/87/345871687.db2.gz GGWPLILSAATMMT-KRWDZBQOSA-N 2 2 299.418 2.248 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768133 345871689 /nfs/dbraw/zinc/87/16/89/345871689.db2.gz GGWPLILSAATMMT-KRWDZBQOSA-N 2 2 299.418 2.248 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000595904876 345910621 /nfs/dbraw/zinc/91/06/21/345910621.db2.gz NLCATCAFOLGNHB-KRWDZBQOSA-N 2 2 287.407 2.101 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000595904876 345910622 /nfs/dbraw/zinc/91/06/22/345910622.db2.gz NLCATCAFOLGNHB-KRWDZBQOSA-N 2 2 287.407 2.101 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1C#N ZINC000600708499 346675190 /nfs/dbraw/zinc/67/51/90/346675190.db2.gz CYSZGWQZWQGFGL-WOSRLPQWSA-N 2 2 257.381 2.343 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000600712577 346675706 /nfs/dbraw/zinc/67/57/06/346675706.db2.gz YODQBTCKSYGPKL-GYSYKLTISA-N 2 2 261.344 2.488 20 30 CEEDLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000603432530 347369299 /nfs/dbraw/zinc/36/92/99/347369299.db2.gz MWEHVXKXSVHPOK-QGZVFWFLSA-N 2 2 289.423 2.049 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730254 /nfs/dbraw/zinc/73/02/54/347730254.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730258 /nfs/dbraw/zinc/73/02/58/347730258.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730260 /nfs/dbraw/zinc/73/02/60/347730260.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730264 /nfs/dbraw/zinc/73/02/64/347730264.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000619720542 349229047 /nfs/dbraw/zinc/22/90/47/349229047.db2.gz PUHSMCNSNSIPAC-OAHLLOKOSA-N 2 2 291.395 2.103 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337531261 366158863 /nfs/dbraw/zinc/15/88/63/366158863.db2.gz VHAVCGDZVQVSQN-ZBFHGGJFSA-N 2 2 266.429 2.432 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000335495103 283197450 /nfs/dbraw/zinc/19/74/50/283197450.db2.gz IVTRLPHENDICEV-HOCLYGCPSA-N 2 2 255.365 2.277 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335179308 364583224 /nfs/dbraw/zinc/58/32/24/364583224.db2.gz RKRDPHFPNWEMID-AWEZNQCLSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335179308 364583231 /nfs/dbraw/zinc/58/32/31/364583231.db2.gz RKRDPHFPNWEMID-AWEZNQCLSA-N 2 2 284.338 2.420 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000341470896 367347988 /nfs/dbraw/zinc/34/79/88/367347988.db2.gz BUJGPEMLDMMFMJ-XJKSGUPXSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000341470896 367347992 /nfs/dbraw/zinc/34/79/92/367347992.db2.gz BUJGPEMLDMMFMJ-XJKSGUPXSA-N 2 2 269.392 2.316 20 30 CEEDLP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000170908827 367444910 /nfs/dbraw/zinc/44/49/10/367444910.db2.gz PHVPIAZGRKKSDZ-HNNXBMFYSA-N 2 2 297.406 2.420 20 30 CEEDLP COCC[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000342808905 367550230 /nfs/dbraw/zinc/55/02/30/367550230.db2.gz QZFNLLOMOKVLKX-UHFFFAOYSA-N 2 2 299.418 2.248 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635024205 369059516 /nfs/dbraw/zinc/05/95/16/369059516.db2.gz UFUFGBQOJSEQOI-ZIAGYGMSSA-N 2 2 254.418 2.335 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187701648 369206905 /nfs/dbraw/zinc/20/69/05/369206905.db2.gz NUGPNIRIWNTVPQ-DOTOQJQBSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187701648 369206910 /nfs/dbraw/zinc/20/69/10/369206910.db2.gz NUGPNIRIWNTVPQ-DOTOQJQBSA-N 2 2 299.418 2.273 20 30 CEEDLP C=C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639483360 371355256 /nfs/dbraw/zinc/35/52/56/371355256.db2.gz STOIKUOKFGPSKR-GOSISDBHSA-N 2 2 286.419 2.275 20 30 CEEDLP C=C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639483360 371355258 /nfs/dbraw/zinc/35/52/58/371355258.db2.gz STOIKUOKFGPSKR-GOSISDBHSA-N 2 2 286.419 2.275 20 30 CEEDLP CCN(CC)C(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264069118 371961580 /nfs/dbraw/zinc/96/15/80/371961580.db2.gz FUFFNNBIHPXKIE-UHFFFAOYSA-N 2 2 285.395 2.088 20 30 CEEDLP Cn1cc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1C#N ZINC000364499473 372741116 /nfs/dbraw/zinc/74/11/16/372741116.db2.gz DFGKZUDZZOCTOS-UHFFFAOYSA-N 2 2 286.423 2.393 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985016 373247932 /nfs/dbraw/zinc/24/79/32/373247932.db2.gz XUHIUYBMOPNFTI-RISCZKNCSA-N 2 2 261.344 2.442 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985016 373247935 /nfs/dbraw/zinc/24/79/35/373247935.db2.gz XUHIUYBMOPNFTI-RISCZKNCSA-N 2 2 261.344 2.442 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC#N ZINC000273076451 373744086 /nfs/dbraw/zinc/74/40/86/373744086.db2.gz PNBMMPGIUPHSBE-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC#N ZINC000273076451 373744097 /nfs/dbraw/zinc/74/40/97/373744097.db2.gz PNBMMPGIUPHSBE-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292844169 377309203 /nfs/dbraw/zinc/30/92/03/377309203.db2.gz BIYKIOUKNUABEJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292844169 377309209 /nfs/dbraw/zinc/30/92/09/377309209.db2.gz BIYKIOUKNUABEJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000292844169 377309213 /nfs/dbraw/zinc/30/92/13/377309213.db2.gz BIYKIOUKNUABEJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000292844169 377309217 /nfs/dbraw/zinc/30/92/17/377309217.db2.gz BIYKIOUKNUABEJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425530907 377367753 /nfs/dbraw/zinc/36/77/53/377367753.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000425530907 377367762 /nfs/dbraw/zinc/36/77/62/377367762.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000425530907 377367770 /nfs/dbraw/zinc/36/77/70/377367770.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000425530907 377367779 /nfs/dbraw/zinc/36/77/79/377367779.db2.gz GFGCYEXUCPJCAT-CXAGYDPISA-N 2 2 287.407 2.006 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000294881128 378026924 /nfs/dbraw/zinc/02/69/24/378026924.db2.gz DJIHJUCOOVGCBC-INIZCTEOSA-N 2 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000294881128 378026930 /nfs/dbraw/zinc/02/69/30/378026930.db2.gz DJIHJUCOOVGCBC-INIZCTEOSA-N 2 2 296.418 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000294881135 378026982 /nfs/dbraw/zinc/02/69/82/378026982.db2.gz DJIHJUCOOVGCBC-MRXNPFEDSA-N 2 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000294881135 378026986 /nfs/dbraw/zinc/02/69/86/378026986.db2.gz DJIHJUCOOVGCBC-MRXNPFEDSA-N 2 2 296.418 2.478 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(C#N)c1 ZINC000453261660 378846135 /nfs/dbraw/zinc/84/61/35/378846135.db2.gz KHFBSJGWPSCJQB-RHSMWYFYSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(C#N)c1 ZINC000453261660 378846144 /nfs/dbraw/zinc/84/61/44/378846144.db2.gz KHFBSJGWPSCJQB-RHSMWYFYSA-N 2 2 287.407 2.056 20 30 CEEDLP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352831911 220265021 /nfs/dbraw/zinc/26/50/21/220265021.db2.gz DLDRERDUTYLPQN-UHFFFAOYSA-N 2 2 286.404 2.366 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180490193 542263878 /nfs/dbraw/zinc/26/38/78/542263878.db2.gz OUSLEWPMAGHMNZ-LBPRGKRZSA-N 2 2 262.401 2.409 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355238 /nfs/dbraw/zinc/35/52/38/380355238.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 2 261.394 2.146 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355241 /nfs/dbraw/zinc/35/52/41/380355241.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355248 /nfs/dbraw/zinc/35/52/48/380355248.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355250 /nfs/dbraw/zinc/35/52/50/380355250.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 2 261.394 2.146 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000556085917 380868528 /nfs/dbraw/zinc/86/85/28/380868528.db2.gz YCWYZAQCLMFZJC-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000556085917 380868536 /nfs/dbraw/zinc/86/85/36/380868536.db2.gz YCWYZAQCLMFZJC-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(CC#N)cc2)n1C ZINC000574769953 335046597 /nfs/dbraw/zinc/04/65/97/335046597.db2.gz CSOGVIVBJQMAQS-UHFFFAOYSA-N 2 2 254.337 2.084 20 30 CEEDLP CCCNC(=[NH+]CC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954598 394610147 /nfs/dbraw/zinc/61/01/47/394610147.db2.gz IKKSPDCPNDKTRH-KGLIPLIRSA-N 2 2 277.416 2.142 20 30 CEEDLP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000261977706 394611498 /nfs/dbraw/zinc/61/14/98/394611498.db2.gz GTYYNLFORUIVRN-NSHDSACASA-N 2 2 294.468 2.198 20 30 CEEDLP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC000261977706 394611502 /nfs/dbraw/zinc/61/15/02/394611502.db2.gz GTYYNLFORUIVRN-NSHDSACASA-N 2 2 294.468 2.198 20 30 CEEDLP C=C(Cl)CNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015875 394612589 /nfs/dbraw/zinc/61/25/89/394612589.db2.gz XTTAFCIMTWVCNI-DGCLKSJQSA-N 2 2 295.818 2.094 20 30 CEEDLP N#CCSCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422331 394678656 /nfs/dbraw/zinc/67/86/56/394678656.db2.gz KWDCEJJTDJFVRC-LBPRGKRZSA-N 2 2 264.398 2.236 20 30 CEEDLP N#CCSCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422331 394678657 /nfs/dbraw/zinc/67/86/57/394678657.db2.gz KWDCEJJTDJFVRC-LBPRGKRZSA-N 2 2 264.398 2.236 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1cccs1 ZINC000104154730 394717804 /nfs/dbraw/zinc/71/78/04/394717804.db2.gz PDLQLTGLRNQVQR-SNVBAGLBSA-N 2 2 268.430 2.054 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000423370832 394904863 /nfs/dbraw/zinc/90/48/63/394904863.db2.gz UQLZYOFUONZTBU-PGUXBMHVSA-N 2 2 261.344 2.346 20 30 CEEDLP C#CC[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284308197 394943235 /nfs/dbraw/zinc/94/32/35/394943235.db2.gz ZRUQWCUDGXKBEO-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284308197 394943236 /nfs/dbraw/zinc/94/32/36/394943236.db2.gz ZRUQWCUDGXKBEO-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284308197 394943240 /nfs/dbraw/zinc/94/32/40/394943240.db2.gz ZRUQWCUDGXKBEO-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284308197 394943241 /nfs/dbraw/zinc/94/32/41/394943241.db2.gz ZRUQWCUDGXKBEO-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425205476 395052122 /nfs/dbraw/zinc/05/21/22/395052122.db2.gz WIGGTMBHWSPYEI-CQSZACIVSA-N 2 2 286.404 2.460 20 30 CEEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000373376139 395060281 /nfs/dbraw/zinc/06/02/81/395060281.db2.gz GNKBVYYNQDUVMH-CQSZACIVSA-N 2 2 280.437 2.239 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373812842 395066395 /nfs/dbraw/zinc/06/63/95/395066395.db2.gz PIZUELRYTBCXLP-GUDVDZBRSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373812842 395066397 /nfs/dbraw/zinc/06/63/97/395066397.db2.gz PIZUELRYTBCXLP-GUDVDZBRSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373812842 395066401 /nfs/dbraw/zinc/06/64/01/395066401.db2.gz PIZUELRYTBCXLP-GUDVDZBRSA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373812842 395066404 /nfs/dbraw/zinc/06/64/04/395066404.db2.gz PIZUELRYTBCXLP-GUDVDZBRSA-N 2 2 280.415 2.454 20 30 CEEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000346344370 395096239 /nfs/dbraw/zinc/09/62/39/395096239.db2.gz YDQQINPZCVLXKK-HUUCEWRRSA-N 2 2 254.418 2.432 20 30 CEEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000346344370 395096240 /nfs/dbraw/zinc/09/62/40/395096240.db2.gz YDQQINPZCVLXKK-HUUCEWRRSA-N 2 2 254.418 2.432 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000290293858 395098333 /nfs/dbraw/zinc/09/83/33/395098333.db2.gz HFOJRZHGVRLOFA-SUMWQHHRSA-N 2 2 254.377 2.240 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000290293858 395098338 /nfs/dbraw/zinc/09/83/38/395098338.db2.gz HFOJRZHGVRLOFA-SUMWQHHRSA-N 2 2 254.377 2.240 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000295020432 395283338 /nfs/dbraw/zinc/28/33/38/395283338.db2.gz NQVYPFJKBVDAQD-CQSZACIVSA-N 2 2 290.407 2.310 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000295020432 395283343 /nfs/dbraw/zinc/28/33/43/395283343.db2.gz NQVYPFJKBVDAQD-CQSZACIVSA-N 2 2 290.407 2.310 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411673443 395335661 /nfs/dbraw/zinc/33/56/61/395335661.db2.gz SRKJGFJQEHOFIY-CQSZACIVSA-N 2 2 258.369 2.204 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647960968 395786868 /nfs/dbraw/zinc/78/68/68/395786868.db2.gz WKUJJDWORQYLLK-GOSISDBHSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647960968 395786870 /nfs/dbraw/zinc/78/68/70/395786870.db2.gz WKUJJDWORQYLLK-GOSISDBHSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647960968 395786875 /nfs/dbraw/zinc/78/68/75/395786875.db2.gz WKUJJDWORQYLLK-GOSISDBHSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647960968 395786877 /nfs/dbraw/zinc/78/68/77/395786877.db2.gz WKUJJDWORQYLLK-GOSISDBHSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000651699368 401373909 /nfs/dbraw/zinc/37/39/09/401373909.db2.gz RPQTXBRLIXVYBQ-OAGGEKHMSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000651699368 401373912 /nfs/dbraw/zinc/37/39/12/401373912.db2.gz RPQTXBRLIXVYBQ-OAGGEKHMSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC(OC)CC2)C1 ZINC000651753116 401383858 /nfs/dbraw/zinc/38/38/58/401383858.db2.gz DSQUTHNTFZUEAA-CABCVRRESA-N 2 2 266.429 2.432 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)ccc1C#N ZINC000366929241 156104598 /nfs/dbraw/zinc/10/45/98/156104598.db2.gz HTLWOUIZDLRLAF-OAHLLOKOSA-N 2 2 296.374 2.176 20 30 CEEDLP C=CCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473060 414840837 /nfs/dbraw/zinc/84/08/37/414840837.db2.gz FSNIDOHBVDVDDN-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473060 414840840 /nfs/dbraw/zinc/84/08/40/414840840.db2.gz FSNIDOHBVDVDDN-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(C)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477103 414842827 /nfs/dbraw/zinc/84/28/27/414842827.db2.gz FTUYUVRRRHAHQZ-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(C)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477103 414842833 /nfs/dbraw/zinc/84/28/33/414842833.db2.gz FTUYUVRRRHAHQZ-HNNXBMFYSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CCOCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657659159 415040244 /nfs/dbraw/zinc/04/02/44/415040244.db2.gz PMXYWABQZCAMGO-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354330767 260241009 /nfs/dbraw/zinc/24/10/09/260241009.db2.gz PINBYIMPFOJWSE-OFQRWUPVSA-N 2 2 294.439 2.204 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C2 ZINC000364030711 262106650 /nfs/dbraw/zinc/10/66/50/262106650.db2.gz QVSBUEGYPJEMCH-RDBSUJKOSA-N 2 2 258.369 2.178 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)O1 ZINC000364288467 262195690 /nfs/dbraw/zinc/19/56/90/262195690.db2.gz FBXNHRYCRKLGIU-VQHPVUNQSA-N 2 2 291.439 2.302 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365609560 262373816 /nfs/dbraw/zinc/37/38/16/262373816.db2.gz ALLQWRCNHGHXOP-AWEZNQCLSA-N 2 2 251.333 2.038 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365609560 262373818 /nfs/dbraw/zinc/37/38/18/262373818.db2.gz ALLQWRCNHGHXOP-AWEZNQCLSA-N 2 2 251.333 2.038 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337242111 262439919 /nfs/dbraw/zinc/43/99/19/262439919.db2.gz HANQUTNSDRZXIR-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337242111 262439922 /nfs/dbraw/zinc/43/99/22/262439922.db2.gz HANQUTNSDRZXIR-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414952613 263158138 /nfs/dbraw/zinc/15/81/38/263158138.db2.gz KRQIVWNGUTYLNM-BBRMVZONSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H](C)[NH2+]CC)cc1OC ZINC000414951113 263158616 /nfs/dbraw/zinc/15/86/16/263158616.db2.gz GYFGXXQBIRXKIM-CYBMUJFWSA-N 2 2 278.396 2.348 20 30 CEEDLP CC[NH+](CC)C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425237638 267060418 /nfs/dbraw/zinc/06/04/18/267060418.db2.gz SEGWQZCNTLLTKP-CQSZACIVSA-N 2 2 272.396 2.430 20 30 CEEDLP C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000428235976 267319351 /nfs/dbraw/zinc/31/93/51/267319351.db2.gz IPCKJKMRUKPQBU-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000428235976 267319353 /nfs/dbraw/zinc/31/93/53/267319353.db2.gz IPCKJKMRUKPQBU-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(F)c1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000428235976 267319354 /nfs/dbraw/zinc/31/93/54/267319354.db2.gz IPCKJKMRUKPQBU-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(F)c1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000428235976 267319355 /nfs/dbraw/zinc/31/93/55/267319355.db2.gz IPCKJKMRUKPQBU-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425265659 271149058 /nfs/dbraw/zinc/14/90/58/271149058.db2.gz FGVVUCHABXBJHX-CYBMUJFWSA-N 2 2 260.385 2.216 20 30 CEEDLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425265659 271149061 /nfs/dbraw/zinc/14/90/61/271149061.db2.gz FGVVUCHABXBJHX-CYBMUJFWSA-N 2 2 260.385 2.216 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580694817 322335859 /nfs/dbraw/zinc/33/58/59/322335859.db2.gz JLDXNEVKMUMGTA-CQSZACIVSA-N 2 2 296.374 2.290 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](C#N)CCC#N ZINC000558506915 327099720 /nfs/dbraw/zinc/09/97/20/327099720.db2.gz WRWIKJVOSZODPQ-AWEZNQCLSA-N 2 2 281.363 2.378 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@@H+](C)CC ZINC000566419266 327354972 /nfs/dbraw/zinc/35/49/72/327354972.db2.gz REUQQVXCJMFURZ-ZDUSSCGKSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@H+](C)CC ZINC000566419266 327354973 /nfs/dbraw/zinc/35/49/73/327354973.db2.gz REUQQVXCJMFURZ-ZDUSSCGKSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)CC ZINC000566419266 327354975 /nfs/dbraw/zinc/35/49/75/327354975.db2.gz REUQQVXCJMFURZ-ZDUSSCGKSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)CC ZINC000566419266 327354977 /nfs/dbraw/zinc/35/49/77/327354977.db2.gz REUQQVXCJMFURZ-ZDUSSCGKSA-N 2 2 268.426 2.049 20 30 CEEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000289596246 327534759 /nfs/dbraw/zinc/53/47/59/327534759.db2.gz UYZOGKSQBGOQHS-OAHLLOKOSA-N 2 2 257.381 2.298 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375266988 329002103 /nfs/dbraw/zinc/00/21/03/329002103.db2.gz HRONQADYTOPJMK-STQMWFEESA-N 2 2 258.369 2.391 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CCCC)COC)CC1 ZINC000177909932 329190381 /nfs/dbraw/zinc/19/03/81/329190381.db2.gz NZMSCVIGEMZIMN-OAHLLOKOSA-N 2 2 254.418 2.432 20 30 CEEDLP C#CCSCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000181100069 329226002 /nfs/dbraw/zinc/22/60/02/329226002.db2.gz FZSCHPXZZKJICH-UHFFFAOYSA-N 2 2 289.448 2.002 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)COC)C(C)C ZINC000268857527 330066721 /nfs/dbraw/zinc/06/67/21/330066721.db2.gz XZIPQEAWNPKJKY-LSDHHAIUSA-N 2 2 254.418 2.310 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827684 330156605 /nfs/dbraw/zinc/15/66/05/330156605.db2.gz FAWXOZPRSLGXSB-ARFHVFGLSA-N 3 2 265.445 2.154 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000182870637 335848063 /nfs/dbraw/zinc/84/80/63/335848063.db2.gz LTOUPVFKDVKFHY-ZDUSSCGKSA-N 2 2 262.401 2.111 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CC(OC)C1)C(C)C ZINC000347214745 527646934 /nfs/dbraw/zinc/64/69/34/527646934.db2.gz IOKBHCDADNXDFS-GPANFISMSA-N 2 2 266.429 2.452 20 30 CEEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CCCO1 ZINC000883164852 630351318 /nfs/dbraw/zinc/35/13/18/630351318.db2.gz PLXHKIPMQQAOSF-ZIAGYGMSSA-N 2 2 254.418 2.430 20 30 CEEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902758187 634812492 /nfs/dbraw/zinc/81/24/92/634812492.db2.gz DDPWZHQEJOZILL-ZDUSSCGKSA-N 2 2 269.352 2.281 20 30 CEEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902761196 634815067 /nfs/dbraw/zinc/81/50/67/634815067.db2.gz MLIIMMMWLLXINU-UKRRQHHQSA-N 2 2 272.396 2.336 20 30 CEEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902761196 634815071 /nfs/dbraw/zinc/81/50/71/634815071.db2.gz MLIIMMMWLLXINU-UKRRQHHQSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817948729 633795368 /nfs/dbraw/zinc/79/53/68/633795368.db2.gz CZYYNZSAVZGNFJ-DZGCQCFKSA-N 2 2 273.380 2.382 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1C#N ZINC000903858482 635310889 /nfs/dbraw/zinc/31/08/89/635310889.db2.gz IJRCVSIPYLUQPH-CVEARBPZSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1C#N ZINC000903858482 635310894 /nfs/dbraw/zinc/31/08/94/635310894.db2.gz IJRCVSIPYLUQPH-CVEARBPZSA-N 2 2 255.365 2.180 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154553872 640923629 /nfs/dbraw/zinc/92/36/29/640923629.db2.gz BZLMIYPEWQDPMY-GDBMZVCRSA-N 2 2 272.392 2.443 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154553872 640923631 /nfs/dbraw/zinc/92/36/31/640923631.db2.gz BZLMIYPEWQDPMY-GDBMZVCRSA-N 2 2 272.392 2.443 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000072672100 641955502 /nfs/dbraw/zinc/95/55/02/641955502.db2.gz NJUGWDFGKNQDJH-UHFFFAOYSA-N 2 2 286.423 2.222 20 30 CEEDLP Nc1ccc2c(c1)CCCC2=[NH+]NCCCn1cc[nH+]c1 ZINC000848416251 641984992 /nfs/dbraw/zinc/98/49/92/641984992.db2.gz DQQHLRVEJHQMTQ-UHFFFAOYSA-N 2 2 283.379 2.186 20 30 CEEDLP C[C@@H](C[NH2+]Cc1csc(C#N)c1)Cn1cc[nH+]c1 ZINC000921610050 642257953 /nfs/dbraw/zinc/25/79/53/642257953.db2.gz RFSLPTXDMJEFEV-NSHDSACASA-N 2 2 260.366 2.242 20 30 CEEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000999760300 642509423 /nfs/dbraw/zinc/50/94/23/642509423.db2.gz FNUHKIXJENQRKB-OAHLLOKOSA-N 2 2 287.407 2.387 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000921689863 642533747 /nfs/dbraw/zinc/53/37/47/642533747.db2.gz IBKAXNOFLRDNJT-IAGOWNOFSA-N 2 2 299.418 2.128 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000921689863 642533750 /nfs/dbraw/zinc/53/37/50/642533750.db2.gz IBKAXNOFLRDNJT-IAGOWNOFSA-N 2 2 299.418 2.128 20 30 CEEDLP C=CCCn1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC000866707058 647878577 /nfs/dbraw/zinc/87/85/77/647878577.db2.gz LMZSSHVPFZOYAG-INIZCTEOSA-N 2 2 291.443 2.051 20 30 CEEDLP C=CCCn1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC000866707058 647878580 /nfs/dbraw/zinc/87/85/80/647878580.db2.gz LMZSSHVPFZOYAG-INIZCTEOSA-N 2 2 291.443 2.051 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143149 651391130 /nfs/dbraw/zinc/39/11/30/651391130.db2.gz YKXNJCKZPCZGEN-SJORKVTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143149 651391131 /nfs/dbraw/zinc/39/11/31/651391131.db2.gz YKXNJCKZPCZGEN-SJORKVTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000880143149 651391132 /nfs/dbraw/zinc/39/11/32/651391132.db2.gz YKXNJCKZPCZGEN-SJORKVTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC000880143149 651391133 /nfs/dbraw/zinc/39/11/33/651391133.db2.gz YKXNJCKZPCZGEN-SJORKVTESA-N 2 2 269.392 2.269 20 30 CEEDLP C=CCCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880253560 651410702 /nfs/dbraw/zinc/41/07/02/651410702.db2.gz SVKMLQNEQSJXCU-UHFFFAOYSA-N 2 2 293.455 2.149 20 30 CEEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000884612822 652944065 /nfs/dbraw/zinc/94/40/65/652944065.db2.gz VEROVFCQBQBKFC-AWEZNQCLSA-N 2 2 270.380 2.172 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000884612822 652944066 /nfs/dbraw/zinc/94/40/66/652944066.db2.gz VEROVFCQBQBKFC-AWEZNQCLSA-N 2 2 270.380 2.172 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567013 806437823 /nfs/dbraw/zinc/43/78/23/806437823.db2.gz QNWNREOSNRZROT-HIFRSBDPSA-N 2 2 298.390 2.021 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567013 806437828 /nfs/dbraw/zinc/43/78/28/806437828.db2.gz QNWNREOSNRZROT-HIFRSBDPSA-N 2 2 298.390 2.021 20 30 CEEDLP C=C1CCC(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000724440827 803115256 /nfs/dbraw/zinc/11/52/56/803115256.db2.gz KPZHAZFABDJJDS-UKRRQHHQSA-N 2 2 252.402 2.089 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192891 809228730 /nfs/dbraw/zinc/22/87/30/809228730.db2.gz YSURCMHZEDJYTG-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192891 809228735 /nfs/dbraw/zinc/22/87/35/809228735.db2.gz YSURCMHZEDJYTG-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001172115642 815304211 /nfs/dbraw/zinc/30/42/11/815304211.db2.gz UOUNYKNIPIHIMW-CNDDSTCGSA-N 2 2 276.409 2.120 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001172115642 815304216 /nfs/dbraw/zinc/30/42/16/815304216.db2.gz UOUNYKNIPIHIMW-CNDDSTCGSA-N 2 2 276.409 2.120 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570978 814672489 /nfs/dbraw/zinc/67/24/89/814672489.db2.gz JIWNUAZNRJVPMY-UHFFFAOYSA-N 2 2 294.443 2.029 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121594044 365591584 /nfs/dbraw/zinc/59/15/84/365591584.db2.gz YIEHLYAZRQAPHB-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121594044 365591590 /nfs/dbraw/zinc/59/15/90/365591590.db2.gz YIEHLYAZRQAPHB-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121594044 365591596 /nfs/dbraw/zinc/59/15/96/365591596.db2.gz YIEHLYAZRQAPHB-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121594044 365591605 /nfs/dbraw/zinc/59/16/05/365591605.db2.gz YIEHLYAZRQAPHB-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537254 539192231 /nfs/dbraw/zinc/19/22/31/539192231.db2.gz CUIHLELQMHKZJO-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537254 539192232 /nfs/dbraw/zinc/19/22/32/539192232.db2.gz CUIHLELQMHKZJO-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP COc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1C#N ZINC000315232295 344747903 /nfs/dbraw/zinc/74/79/03/344747903.db2.gz CGBRQKXORSRNAV-MRXNPFEDSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1C#N ZINC000315232295 344747905 /nfs/dbraw/zinc/74/79/05/344747905.db2.gz CGBRQKXORSRNAV-MRXNPFEDSA-N 2 2 285.391 2.093 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374309 344765359 /nfs/dbraw/zinc/76/53/59/344765359.db2.gz RPFRRPNYMYEDBN-UKRRQHHQSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374309 344765361 /nfs/dbraw/zinc/76/53/61/344765361.db2.gz RPFRRPNYMYEDBN-UKRRQHHQSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000336374309 344765362 /nfs/dbraw/zinc/76/53/62/344765362.db2.gz RPFRRPNYMYEDBN-UKRRQHHQSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000336374309 344765364 /nfs/dbraw/zinc/76/53/64/344765364.db2.gz RPFRRPNYMYEDBN-UKRRQHHQSA-N 2 2 259.397 2.239 20 30 CEEDLP COC1CC[NH+](CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000590647783 345155175 /nfs/dbraw/zinc/15/51/75/345155175.db2.gz UDYGRAJDFMZJFQ-UHFFFAOYSA-N 2 2 279.428 2.159 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000592084921 345320694 /nfs/dbraw/zinc/32/06/94/345320694.db2.gz WRTLZEQFAPPPQN-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000592084921 345320696 /nfs/dbraw/zinc/32/06/96/345320696.db2.gz WRTLZEQFAPPPQN-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000592084921 345320697 /nfs/dbraw/zinc/32/06/97/345320697.db2.gz WRTLZEQFAPPPQN-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000592084921 345320700 /nfs/dbraw/zinc/32/07/00/345320700.db2.gz WRTLZEQFAPPPQN-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000592476592 345359057 /nfs/dbraw/zinc/35/90/57/345359057.db2.gz GFCZAVCICUDWSB-AWEZNQCLSA-N 2 2 275.352 2.192 20 30 CEEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+]C1 ZINC000592476592 345359059 /nfs/dbraw/zinc/35/90/59/345359059.db2.gz GFCZAVCICUDWSB-AWEZNQCLSA-N 2 2 275.352 2.192 20 30 CEEDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000592985032 345419218 /nfs/dbraw/zinc/41/92/18/345419218.db2.gz HTMJWJOYZAYQQN-OAHLLOKOSA-N 2 2 257.381 2.426 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000594504400 345639597 /nfs/dbraw/zinc/63/95/97/345639597.db2.gz MJNHHBWEAIEJJA-KSSFIOAISA-N 2 2 299.418 2.462 20 30 CEEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1C#N)C2 ZINC000595508475 345799440 /nfs/dbraw/zinc/79/94/40/345799440.db2.gz XRJHLOKEGSGWFN-SFHVURJKSA-N 2 2 299.418 2.355 20 30 CEEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1C#N)C2 ZINC000595508475 345799443 /nfs/dbraw/zinc/79/94/43/345799443.db2.gz XRJHLOKEGSGWFN-SFHVURJKSA-N 2 2 299.418 2.355 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1C#N)C2 ZINC000595508475 345799447 /nfs/dbraw/zinc/79/94/47/345799447.db2.gz XRJHLOKEGSGWFN-SFHVURJKSA-N 2 2 299.418 2.355 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000595508475 345799450 /nfs/dbraw/zinc/79/94/50/345799450.db2.gz XRJHLOKEGSGWFN-SFHVURJKSA-N 2 2 299.418 2.355 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000596058821 345930205 /nfs/dbraw/zinc/93/02/05/345930205.db2.gz JSNVJGASIPZETA-AWEZNQCLSA-N 2 2 273.380 2.363 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000596058821 345930206 /nfs/dbraw/zinc/93/02/06/345930206.db2.gz JSNVJGASIPZETA-AWEZNQCLSA-N 2 2 273.380 2.363 20 30 CEEDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598588427 346378778 /nfs/dbraw/zinc/37/87/78/346378778.db2.gz LQGWNTPUQBXIRL-CABCVRRESA-N 2 2 290.411 2.129 20 30 CEEDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598588427 346378780 /nfs/dbraw/zinc/37/87/80/346378780.db2.gz LQGWNTPUQBXIRL-CABCVRRESA-N 2 2 290.411 2.129 20 30 CEEDLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1C#N ZINC000600706354 346674205 /nfs/dbraw/zinc/67/42/05/346674205.db2.gz VFOXEOFTOAOQBI-BBRMVZONSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1C#N ZINC000600706354 346674206 /nfs/dbraw/zinc/67/42/06/346674206.db2.gz VFOXEOFTOAOQBI-BBRMVZONSA-N 2 2 257.381 2.426 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768306 346686671 /nfs/dbraw/zinc/68/66/71/346686671.db2.gz HMIWTWKHCKLLQR-DOMZBBRYSA-N 2 2 259.353 2.115 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768306 346686673 /nfs/dbraw/zinc/68/66/73/346686673.db2.gz HMIWTWKHCKLLQR-DOMZBBRYSA-N 2 2 259.353 2.115 20 30 CEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729350 /nfs/dbraw/zinc/72/93/50/347729350.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729353 /nfs/dbraw/zinc/72/93/53/347729353.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729357 /nfs/dbraw/zinc/72/93/57/347729357.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729360 /nfs/dbraw/zinc/72/93/60/347729360.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611260860 347760208 /nfs/dbraw/zinc/76/02/08/347760208.db2.gz MDLFRRIPLQAYCX-CQSZACIVSA-N 2 2 275.396 2.218 20 30 CEEDLP C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611260860 347760212 /nfs/dbraw/zinc/76/02/12/347760212.db2.gz MDLFRRIPLQAYCX-CQSZACIVSA-N 2 2 275.396 2.218 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000404155141 233193279 /nfs/dbraw/zinc/19/32/79/233193279.db2.gz OCDQZZYSGPSFBW-UHFFFAOYSA-N 2 2 258.300 2.074 20 30 CEEDLP C=CC(C)(C)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000623592836 350059995 /nfs/dbraw/zinc/05/99/95/350059995.db2.gz DGIXUISLRRVFMJ-UHFFFAOYSA-N 2 2 250.390 2.178 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc(C)ccc2O)CC1 ZINC000106245122 186104859 /nfs/dbraw/zinc/10/48/59/186104859.db2.gz AQGVMIPRDASIHV-UHFFFAOYSA-N 2 2 275.396 2.226 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857202 363008872 /nfs/dbraw/zinc/00/88/72/363008872.db2.gz DYQGMRPMFHWLMB-SFHVURJKSA-N 2 2 299.418 2.102 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857202 363008877 /nfs/dbraw/zinc/00/88/77/363008877.db2.gz DYQGMRPMFHWLMB-SFHVURJKSA-N 2 2 299.418 2.102 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394822 351349478 /nfs/dbraw/zinc/34/94/78/351349478.db2.gz MJBZSXPIUJSBOF-UKRRQHHQSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631063857 351945321 /nfs/dbraw/zinc/94/53/21/351945321.db2.gz GWIHADYHSNPVQI-UHFFFAOYSA-N 2 2 288.439 2.039 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151120929 366623009 /nfs/dbraw/zinc/62/30/09/366623009.db2.gz SXGVCAGKDLANBU-ZBFHGGJFSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151120929 366623014 /nfs/dbraw/zinc/62/30/14/366623014.db2.gz SXGVCAGKDLANBU-ZBFHGGJFSA-N 2 2 284.403 2.413 20 30 CEEDLP C=C(C)COCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090451412 364058401 /nfs/dbraw/zinc/05/84/01/364058401.db2.gz FBCPZYKPWVKPLD-UHFFFAOYSA-N 2 2 275.396 2.233 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674245 212394749 /nfs/dbraw/zinc/39/47/49/212394749.db2.gz YUWTZFVHCRKWSS-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674245 212394751 /nfs/dbraw/zinc/39/47/51/212394751.db2.gz YUWTZFVHCRKWSS-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C#N)cs1 ZINC000335674245 212394754 /nfs/dbraw/zinc/39/47/54/212394754.db2.gz YUWTZFVHCRKWSS-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000335674245 212394756 /nfs/dbraw/zinc/39/47/56/212394756.db2.gz YUWTZFVHCRKWSS-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714684 370862100 /nfs/dbraw/zinc/86/21/00/370862100.db2.gz CSEKGOHCNYHLAZ-SWLSCSKDSA-N 2 2 259.353 2.067 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714684 370862107 /nfs/dbraw/zinc/86/21/07/370862107.db2.gz CSEKGOHCNYHLAZ-SWLSCSKDSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714684 370862111 /nfs/dbraw/zinc/86/21/11/370862111.db2.gz CSEKGOHCNYHLAZ-SWLSCSKDSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@H]21 ZINC000245714684 370862115 /nfs/dbraw/zinc/86/21/15/370862115.db2.gz CSEKGOHCNYHLAZ-SWLSCSKDSA-N 2 2 259.353 2.067 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245912216 370887365 /nfs/dbraw/zinc/88/73/65/370887365.db2.gz MOQMBDRSOVLKGD-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245912216 370887371 /nfs/dbraw/zinc/88/73/71/370887371.db2.gz MOQMBDRSOVLKGD-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245912216 370887380 /nfs/dbraw/zinc/88/73/80/370887380.db2.gz MOQMBDRSOVLKGD-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245912216 370887387 /nfs/dbraw/zinc/88/73/87/370887387.db2.gz MOQMBDRSOVLKGD-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000172845668 367828472 /nfs/dbraw/zinc/82/84/72/367828472.db2.gz QJMSGOBZVSXGQL-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000172845668 367828479 /nfs/dbraw/zinc/82/84/79/367828479.db2.gz QJMSGOBZVSXGQL-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845668 367828485 /nfs/dbraw/zinc/82/84/85/367828485.db2.gz QJMSGOBZVSXGQL-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845668 367828491 /nfs/dbraw/zinc/82/84/91/367828491.db2.gz QJMSGOBZVSXGQL-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C=CCOCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000348042075 368870226 /nfs/dbraw/zinc/87/02/26/368870226.db2.gz GEFIMHUDLGMHJT-OAHLLOKOSA-N 2 2 277.412 2.267 20 30 CEEDLP C=CCOCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000348042075 368870231 /nfs/dbraw/zinc/87/02/31/368870231.db2.gz GEFIMHUDLGMHJT-OAHLLOKOSA-N 2 2 277.412 2.267 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348111250 368902539 /nfs/dbraw/zinc/90/25/39/368902539.db2.gz OLRTUFQHCOQLTJ-STQMWFEESA-N 2 2 292.345 2.336 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186691184 369021524 /nfs/dbraw/zinc/02/15/24/369021524.db2.gz NOTORWOLNVQAAS-IAGOWNOFSA-N 2 2 274.408 2.178 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186691184 369021529 /nfs/dbraw/zinc/02/15/29/369021529.db2.gz NOTORWOLNVQAAS-IAGOWNOFSA-N 2 2 274.408 2.178 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353413402 370112046 /nfs/dbraw/zinc/11/20/46/370112046.db2.gz PMJJCSMWXCDCJX-FUHWJXTLSA-N 2 2 299.418 2.246 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353413402 370112049 /nfs/dbraw/zinc/11/20/49/370112049.db2.gz PMJJCSMWXCDCJX-FUHWJXTLSA-N 2 2 299.418 2.246 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248488394 371201444 /nfs/dbraw/zinc/20/14/44/371201444.db2.gz GTKPGHAWOMRMND-BHYGNILZSA-N 2 2 274.408 2.349 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000248488394 371201451 /nfs/dbraw/zinc/20/14/51/371201451.db2.gz GTKPGHAWOMRMND-BHYGNILZSA-N 2 2 274.408 2.349 20 30 CEEDLP CCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264069297 371960264 /nfs/dbraw/zinc/96/02/64/371960264.db2.gz FYXLOKKYZLZZCN-CYBMUJFWSA-N 2 2 278.400 2.121 20 30 CEEDLP C=C(Br)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269626289 372510969 /nfs/dbraw/zinc/51/09/69/372510969.db2.gz JSXZLAPBYKPQFC-JTQLQIEISA-N 2 2 270.174 2.498 20 30 CEEDLP C=C(Br)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269626289 372510976 /nfs/dbraw/zinc/51/09/76/372510976.db2.gz JSXZLAPBYKPQFC-JTQLQIEISA-N 2 2 270.174 2.498 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)s1 ZINC000372325617 374098499 /nfs/dbraw/zinc/09/84/99/374098499.db2.gz LNAYBAKPVGDWAS-RWMBFGLXSA-N 2 2 291.420 2.134 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)s1 ZINC000372325617 374098510 /nfs/dbraw/zinc/09/85/10/374098510.db2.gz LNAYBAKPVGDWAS-RWMBFGLXSA-N 2 2 291.420 2.134 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000420317281 376682099 /nfs/dbraw/zinc/68/20/99/376682099.db2.gz ZFMJDKMSUAISHF-ZFWWWQNUSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000420317281 376682111 /nfs/dbraw/zinc/68/21/11/376682111.db2.gz ZFMJDKMSUAISHF-ZFWWWQNUSA-N 2 2 289.423 2.143 20 30 CEEDLP O=C(NCc1[nH]cc[nH+]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329355981 376951496 /nfs/dbraw/zinc/95/14/96/376951496.db2.gz FRLCDOACHSICEN-LBPRGKRZSA-N 2 2 294.424 2.084 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000292983135 377380799 /nfs/dbraw/zinc/38/07/99/377380799.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000292983135 377380806 /nfs/dbraw/zinc/38/08/06/377380806.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000292983135 377380813 /nfs/dbraw/zinc/38/08/13/377380813.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000292983135 377380820 /nfs/dbraw/zinc/38/08/20/377380820.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP C=CCCCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000487904300 380090620 /nfs/dbraw/zinc/09/06/20/380090620.db2.gz FWTCAWOTDGRXOY-UHFFFAOYSA-N 2 2 254.418 2.121 20 30 CEEDLP C=CCCCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000487904300 380090627 /nfs/dbraw/zinc/09/06/27/380090627.db2.gz FWTCAWOTDGRXOY-UHFFFAOYSA-N 2 2 254.418 2.121 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132459 190379189 /nfs/dbraw/zinc/37/91/89/190379189.db2.gz PUYOQLQWOSVDIM-LRDDRELGSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132459 190379190 /nfs/dbraw/zinc/37/91/90/190379190.db2.gz PUYOQLQWOSVDIM-LRDDRELGSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000547979514 380481611 /nfs/dbraw/zinc/48/16/11/380481611.db2.gz DYZTXXXMZSLOHB-IUODEOHRSA-N 2 2 266.348 2.420 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192036365 130356774 /nfs/dbraw/zinc/35/67/74/130356774.db2.gz SNPWGLLZAHPWES-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192036365 130356775 /nfs/dbraw/zinc/35/67/75/130356775.db2.gz SNPWGLLZAHPWES-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccsc1 ZINC000261969046 394610253 /nfs/dbraw/zinc/61/02/53/394610253.db2.gz CHDPDEYQQXLPCN-GFCCVEGCSA-N 2 2 289.408 2.173 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1F ZINC000423392641 394912767 /nfs/dbraw/zinc/91/27/67/394912767.db2.gz XXDACDRAWXUZOG-WZRBSPASSA-N 2 2 261.344 2.488 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000339024528 394937819 /nfs/dbraw/zinc/93/78/19/394937819.db2.gz YADJEHHZORWBAY-HUUCEWRRSA-N 2 2 270.380 2.204 20 30 CEEDLP C#CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077056 394940489 /nfs/dbraw/zinc/94/04/89/394940489.db2.gz LDGIRNSUDLYSOW-LJQANCHMSA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077056 394940497 /nfs/dbraw/zinc/94/04/97/394940497.db2.gz LDGIRNSUDLYSOW-LJQANCHMSA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077056 394940501 /nfs/dbraw/zinc/94/05/01/394940501.db2.gz LDGIRNSUDLYSOW-LJQANCHMSA-N 2 2 298.430 2.375 20 30 CEEDLP C#CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000284077056 394940505 /nfs/dbraw/zinc/94/05/05/394940505.db2.gz LDGIRNSUDLYSOW-LJQANCHMSA-N 2 2 298.430 2.375 20 30 CEEDLP C=CCOCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103084 394943885 /nfs/dbraw/zinc/94/38/85/394943885.db2.gz NUUQKIBNSYLQFC-IRXDYDNUSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103084 394943891 /nfs/dbraw/zinc/94/38/91/394943891.db2.gz NUUQKIBNSYLQFC-IRXDYDNUSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000339103084 394943893 /nfs/dbraw/zinc/94/38/93/394943893.db2.gz NUUQKIBNSYLQFC-IRXDYDNUSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000339103084 394943897 /nfs/dbraw/zinc/94/38/97/394943897.db2.gz NUUQKIBNSYLQFC-IRXDYDNUSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103082 394944159 /nfs/dbraw/zinc/94/41/59/394944159.db2.gz NUUQKIBNSYLQFC-DLBZAZTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103082 394944161 /nfs/dbraw/zinc/94/41/61/394944161.db2.gz NUUQKIBNSYLQFC-DLBZAZTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000339103082 394944164 /nfs/dbraw/zinc/94/41/64/394944164.db2.gz NUUQKIBNSYLQFC-DLBZAZTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000339103082 394944168 /nfs/dbraw/zinc/94/41/68/394944168.db2.gz NUUQKIBNSYLQFC-DLBZAZTESA-N 2 2 289.423 2.209 20 30 CEEDLP Cc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)c(C#N)c[nH+]1 ZINC000425247784 395054917 /nfs/dbraw/zinc/05/49/17/395054917.db2.gz OZUJTKAXYRXSKO-UHFFFAOYSA-N 2 2 298.365 2.496 20 30 CEEDLP N#CCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000346329089 395095533 /nfs/dbraw/zinc/09/55/33/395095533.db2.gz JNIZUGJWCDQQGV-UHFFFAOYSA-N 2 2 263.307 2.297 20 30 CEEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000346344365 395096465 /nfs/dbraw/zinc/09/64/65/395096465.db2.gz YDQQINPZCVLXKK-CABCVRRESA-N 2 2 254.418 2.432 20 30 CEEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000346344365 395096467 /nfs/dbraw/zinc/09/64/67/395096467.db2.gz YDQQINPZCVLXKK-CABCVRRESA-N 2 2 254.418 2.432 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC#N ZINC000346813586 395108589 /nfs/dbraw/zinc/10/85/89/395108589.db2.gz YJCPILHVNQYYJD-ZBFHGGJFSA-N 2 2 272.396 2.185 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC#N ZINC000346813586 395108592 /nfs/dbraw/zinc/10/85/92/395108592.db2.gz YJCPILHVNQYYJD-ZBFHGGJFSA-N 2 2 272.396 2.185 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000349341197 395165804 /nfs/dbraw/zinc/16/58/04/395165804.db2.gz JWWNFSHEBDFMPQ-DOTOQJQBSA-N 2 2 284.407 2.328 20 30 CEEDLP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(C#N)c[nH+]1 ZINC000528213044 395287303 /nfs/dbraw/zinc/28/73/03/395287303.db2.gz WNAYURAUSYEFFH-OAHLLOKOSA-N 2 2 270.380 2.112 20 30 CEEDLP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c(C#N)c[nH+]1 ZINC000528213044 395287308 /nfs/dbraw/zinc/28/73/08/395287308.db2.gz WNAYURAUSYEFFH-OAHLLOKOSA-N 2 2 270.380 2.112 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC000192056032 395371962 /nfs/dbraw/zinc/37/19/62/395371962.db2.gz VXUXVENYBWKQRD-NVXWUHKLSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC000192056032 395371969 /nfs/dbraw/zinc/37/19/69/395371969.db2.gz VXUXVENYBWKQRD-NVXWUHKLSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056032 395371972 /nfs/dbraw/zinc/37/19/72/395371972.db2.gz VXUXVENYBWKQRD-NVXWUHKLSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056032 395371975 /nfs/dbraw/zinc/37/19/75/395371975.db2.gz VXUXVENYBWKQRD-NVXWUHKLSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000181782190 400289668 /nfs/dbraw/zinc/28/96/68/400289668.db2.gz WFSGSBIIZFDFNW-GJZGRUSLSA-N 2 2 287.407 2.177 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C1 ZINC000651720225 401378113 /nfs/dbraw/zinc/37/81/13/401378113.db2.gz UBXGMYQIYNZRPM-XHSDSOJGSA-N 2 2 266.429 2.289 20 30 CEEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)COC1 ZINC000181743977 165354019 /nfs/dbraw/zinc/35/40/19/165354019.db2.gz DIJJFHCYASYVGW-UHFFFAOYSA-N 2 2 299.418 2.149 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037320411 173120621 /nfs/dbraw/zinc/12/06/21/173120621.db2.gz KABJXLYUWGWMOG-OLZOCXBDSA-N 2 2 254.337 2.494 20 30 CEEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000657293489 414835530 /nfs/dbraw/zinc/83/55/30/414835530.db2.gz OIHFTWBBMIGWEJ-OAHLLOKOSA-N 2 2 291.443 2.208 20 30 CEEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000657293489 414835534 /nfs/dbraw/zinc/83/55/34/414835534.db2.gz OIHFTWBBMIGWEJ-OAHLLOKOSA-N 2 2 291.443 2.208 20 30 CEEDLP C=CCc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(OC)c1O ZINC000656783018 415859298 /nfs/dbraw/zinc/85/92/98/415859298.db2.gz LTWCUOKWGVVAMA-UHFFFAOYSA-N 2 2 278.396 2.298 20 30 CEEDLP C=CCc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(OC)c1O ZINC000656783018 415859301 /nfs/dbraw/zinc/85/93/01/415859301.db2.gz LTWCUOKWGVVAMA-UHFFFAOYSA-N 2 2 278.396 2.298 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000177385052 261352163 /nfs/dbraw/zinc/35/21/63/261352163.db2.gz QPSLQWPHLLWMEC-QGZVFWFLSA-N 2 2 256.393 2.306 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000177385052 261352164 /nfs/dbraw/zinc/35/21/64/261352164.db2.gz QPSLQWPHLLWMEC-QGZVFWFLSA-N 2 2 256.393 2.306 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000365199597 262283705 /nfs/dbraw/zinc/28/37/05/262283705.db2.gz UJEKTMNQSGTRHH-ZIAGYGMSSA-N 2 2 272.396 2.434 20 30 CEEDLP Oc1ccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c(O)c1O ZINC000278250065 263046031 /nfs/dbraw/zinc/04/60/31/263046031.db2.gz WSZZDISMPBSFBY-LICLKQGHSA-N 2 2 290.363 2.097 20 30 CEEDLP CCNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287003616 263100507 /nfs/dbraw/zinc/10/05/07/263100507.db2.gz FEEHUYYVKRQHOJ-OAHLLOKOSA-N 2 2 292.427 2.001 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414958244 263161990 /nfs/dbraw/zinc/16/19/90/263161990.db2.gz RLDOUIHFVMOEAP-ZFWWWQNUSA-N 2 2 260.381 2.482 20 30 CEEDLP C=C(C)C[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367888014 267125217 /nfs/dbraw/zinc/12/52/17/267125217.db2.gz XDTAGWQTPMXNJG-UHFFFAOYSA-N 2 2 288.439 2.222 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368464371 267175191 /nfs/dbraw/zinc/17/51/91/267175191.db2.gz AHDNOTDAZGZFOB-FPMFFAJLSA-N 2 2 272.820 2.218 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368464371 267175194 /nfs/dbraw/zinc/17/51/94/267175194.db2.gz AHDNOTDAZGZFOB-FPMFFAJLSA-N 2 2 272.820 2.218 20 30 CEEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NC1CCCCC1 ZINC000269973302 328191372 /nfs/dbraw/zinc/19/13/72/328191372.db2.gz OXLIUBFTJPRHPH-UHFFFAOYSA-N 2 2 260.385 2.170 20 30 CEEDLP CC#CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360969577 328913506 /nfs/dbraw/zinc/91/35/06/328913506.db2.gz UAVLQHXQAJJZLL-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP C#CCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271906357 330082784 /nfs/dbraw/zinc/08/27/84/330082784.db2.gz HSDZAJAJBRRZOE-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271906357 330082786 /nfs/dbraw/zinc/08/27/86/330082786.db2.gz HSDZAJAJBRRZOE-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974518 330164714 /nfs/dbraw/zinc/16/47/14/330164714.db2.gz FAQAZVMXINGRRO-GOEBONIOSA-N 3 2 265.445 2.005 20 30 CEEDLP C=C(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423032519 330166188 /nfs/dbraw/zinc/16/61/88/330166188.db2.gz WBDVTWRPGMGILK-ZBFHGGJFSA-N 2 2 260.381 2.056 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C1CC1 ZINC000120909459 330394073 /nfs/dbraw/zinc/39/40/73/330394073.db2.gz RVBSHCNQXXIIIE-CVEARBPZSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C1CC1 ZINC000120909459 330394074 /nfs/dbraw/zinc/39/40/74/330394074.db2.gz RVBSHCNQXXIIIE-CVEARBPZSA-N 2 2 266.429 2.432 20 30 CEEDLP C#C[C@@H](CCC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000491359827 332196316 /nfs/dbraw/zinc/19/63/16/332196316.db2.gz BHTPUBMSCOBJNR-LBPRGKRZSA-N 2 2 292.346 2.424 20 30 CEEDLP C#C[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000491525792 332230223 /nfs/dbraw/zinc/23/02/23/332230223.db2.gz VFLFWSKUKKXLNJ-CVEARBPZSA-N 2 2 299.418 2.261 20 30 CEEDLP C#C[C@H](CC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000491701682 332296058 /nfs/dbraw/zinc/29/60/58/332296058.db2.gz FOPVLCHDEAVMLI-LLVKDONJSA-N 2 2 278.319 2.034 20 30 CEEDLP C=CCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727386 333453833 /nfs/dbraw/zinc/45/38/33/333453833.db2.gz LGEGMGBVWJIBCQ-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP CC1(C)CC([NH2+]C[C@@H](C#N)CCC#N)CC(C)(C)[NH2+]1 ZINC000551683713 334257719 /nfs/dbraw/zinc/25/77/19/334257719.db2.gz PCSJZARJHMSFSX-GFCCVEGCSA-N 2 2 262.401 2.329 20 30 CEEDLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000577364962 335342914 /nfs/dbraw/zinc/34/29/14/335342914.db2.gz KUDMFZKNURVWMY-CYBMUJFWSA-N 2 2 262.401 2.282 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151219178 523527844 /nfs/dbraw/zinc/52/78/44/523527844.db2.gz SUAZGSXKYNUONF-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151219178 523527850 /nfs/dbraw/zinc/52/78/50/523527850.db2.gz SUAZGSXKYNUONF-MRXNPFEDSA-N 2 2 299.418 2.485 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915662 613729880 /nfs/dbraw/zinc/72/98/80/613729880.db2.gz QTOOCJBSGDIYAO-WBMJQRKESA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966915662 613729881 /nfs/dbraw/zinc/72/98/81/613729881.db2.gz QTOOCJBSGDIYAO-WBMJQRKESA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450398 613751139 /nfs/dbraw/zinc/75/11/39/613751139.db2.gz TZSSMSWVKQMIGG-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450398 613751142 /nfs/dbraw/zinc/75/11/42/613751142.db2.gz TZSSMSWVKQMIGG-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001020413784 622570501 /nfs/dbraw/zinc/57/05/01/622570501.db2.gz KLJZUVUFFOXNII-SHTZXODSSA-N 2 2 287.407 2.433 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926609813 625276675 /nfs/dbraw/zinc/27/66/75/625276675.db2.gz BAFKXTKTNGSZNQ-VGWMRTNUSA-N 2 2 264.413 2.184 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926609813 625276677 /nfs/dbraw/zinc/27/66/77/625276677.db2.gz BAFKXTKTNGSZNQ-VGWMRTNUSA-N 2 2 264.413 2.184 20 30 CEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000104153786 628379468 /nfs/dbraw/zinc/37/94/68/628379468.db2.gz ZWOWPUWRBULHOG-ZBFHGGJFSA-N 2 2 288.439 2.336 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925664445 628380466 /nfs/dbraw/zinc/38/04/66/628380466.db2.gz FJRVXUNANSTJIH-XWJBARJFSA-N 2 2 284.403 2.337 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000821212293 634656862 /nfs/dbraw/zinc/65/68/62/634656862.db2.gz BGUNDDSDWKWSPI-UHFFFAOYSA-N 2 2 296.846 2.242 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000821212293 634656866 /nfs/dbraw/zinc/65/68/66/634656866.db2.gz BGUNDDSDWKWSPI-UHFFFAOYSA-N 2 2 296.846 2.242 20 30 CEEDLP C#CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000895808429 630357264 /nfs/dbraw/zinc/35/72/64/630357264.db2.gz IMSHDISBECLYKA-UHFFFAOYSA-N 2 2 268.364 2.083 20 30 CEEDLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505006 630584969 /nfs/dbraw/zinc/58/49/69/630584969.db2.gz JLAGZAZIYQYTAW-INIZCTEOSA-N 2 2 287.407 2.363 20 30 CEEDLP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505006 630584972 /nfs/dbraw/zinc/58/49/72/630584972.db2.gz JLAGZAZIYQYTAW-INIZCTEOSA-N 2 2 287.407 2.363 20 30 CEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817919490 633777617 /nfs/dbraw/zinc/77/76/17/633777617.db2.gz RUTFSTYXIXFFEE-FRFSOERESA-N 2 2 287.407 2.455 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000817967978 633811199 /nfs/dbraw/zinc/81/11/99/633811199.db2.gz DMZPHUAXAWIYPH-DVOMOZLQSA-N 2 2 273.380 2.238 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810947 635284399 /nfs/dbraw/zinc/28/43/99/635284399.db2.gz IEBAAEYHAAFUPZ-INIZCTEOSA-N 2 2 284.407 2.437 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810947 635284405 /nfs/dbraw/zinc/28/44/05/635284405.db2.gz IEBAAEYHAAFUPZ-INIZCTEOSA-N 2 2 284.407 2.437 20 30 CEEDLP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]([NH3+])CC(F)F ZINC000903937989 635363641 /nfs/dbraw/zinc/36/36/41/635363641.db2.gz WSRDNLVOVQZQBE-ZDUSSCGKSA-N 2 2 267.323 2.015 20 30 CEEDLP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]([NH3+])CC(F)F ZINC000903937989 635363646 /nfs/dbraw/zinc/36/36/46/635363646.db2.gz WSRDNLVOVQZQBE-ZDUSSCGKSA-N 2 2 267.323 2.015 20 30 CEEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876989298 650521750 /nfs/dbraw/zinc/52/17/50/650521750.db2.gz XUZBFYGMGKJKKW-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876989298 650521753 /nfs/dbraw/zinc/52/17/53/650521753.db2.gz XUZBFYGMGKJKKW-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP C#C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000847034598 641540344 /nfs/dbraw/zinc/54/03/44/641540344.db2.gz JRTITTHPAHKQRB-QGZVFWFLSA-N 2 2 298.430 2.364 20 30 CEEDLP C#C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000847034598 641540347 /nfs/dbraw/zinc/54/03/47/641540347.db2.gz JRTITTHPAHKQRB-QGZVFWFLSA-N 2 2 298.430 2.364 20 30 CEEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000185188102 641948709 /nfs/dbraw/zinc/94/87/09/641948709.db2.gz MRSOXFBGPCFNNV-UHFFFAOYSA-N 2 2 296.374 2.340 20 30 CEEDLP CC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000848419351 641988097 /nfs/dbraw/zinc/98/80/97/641988097.db2.gz UULBHGRHSXMJFX-UHFFFAOYSA-N 2 2 285.395 2.353 20 30 CEEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877524832 650765785 /nfs/dbraw/zinc/76/57/85/650765785.db2.gz HUVDXZWWOYAKAH-LBPRGKRZSA-N 2 2 292.814 2.427 20 30 CEEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877524832 650765787 /nfs/dbraw/zinc/76/57/87/650765787.db2.gz HUVDXZWWOYAKAH-LBPRGKRZSA-N 2 2 292.814 2.427 20 30 CEEDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc(C#N)c2)CCCO1 ZINC000922063863 642861286 /nfs/dbraw/zinc/86/12/86/642861286.db2.gz KEAFMUGDPFXADE-ZDUSSCGKSA-N 2 2 293.436 2.210 20 30 CEEDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc(C#N)c2)CCCO1 ZINC000922063863 642861292 /nfs/dbraw/zinc/86/12/92/642861292.db2.gz KEAFMUGDPFXADE-ZDUSSCGKSA-N 2 2 293.436 2.210 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000922146933 642904921 /nfs/dbraw/zinc/90/49/21/642904921.db2.gz GSDCGJZONWZKLK-UHFFFAOYSA-N 2 2 271.408 2.005 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000922146933 642904925 /nfs/dbraw/zinc/90/49/25/642904925.db2.gz GSDCGJZONWZKLK-UHFFFAOYSA-N 2 2 271.408 2.005 20 30 CEEDLP NC(=[NH+]OCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000808247115 646307501 /nfs/dbraw/zinc/30/75/01/646307501.db2.gz SBONFSTYOFUONP-UHFFFAOYSA-N 2 2 279.359 2.339 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773006490 646694235 /nfs/dbraw/zinc/69/42/35/646694235.db2.gz YRLNKRGMYUUZMA-TZMCWYRMSA-N 2 2 274.836 2.466 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000773006490 646694237 /nfs/dbraw/zinc/69/42/37/646694237.db2.gz YRLNKRGMYUUZMA-TZMCWYRMSA-N 2 2 274.836 2.466 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865403938 647276913 /nfs/dbraw/zinc/27/69/13/647276913.db2.gz WOGOIVOBOXJCTJ-UHFFFAOYSA-N 2 2 286.423 2.198 20 30 CEEDLP C=CCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208911 651401719 /nfs/dbraw/zinc/40/17/19/651401719.db2.gz MIFPOGQFTGJVFL-OAHLLOKOSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208911 651401720 /nfs/dbraw/zinc/40/17/20/651401720.db2.gz MIFPOGQFTGJVFL-OAHLLOKOSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882987891 652307287 /nfs/dbraw/zinc/30/72/87/652307287.db2.gz SJHFZTLIVMTFSH-UHFFFAOYSA-N 2 2 288.347 2.126 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000883194922 652396308 /nfs/dbraw/zinc/39/63/08/652396308.db2.gz GJJCFJIKTHJADI-PMPSAXMXSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000883194922 652396313 /nfs/dbraw/zinc/39/63/13/652396313.db2.gz GJJCFJIKTHJADI-PMPSAXMXSA-N 2 2 266.429 2.432 20 30 CEEDLP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267809981 803747411 /nfs/dbraw/zinc/74/74/11/803747411.db2.gz XCEKQBBPARZHEV-CYBMUJFWSA-N 2 2 286.379 2.237 20 30 CEEDLP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490894 804089243 /nfs/dbraw/zinc/08/92/43/804089243.db2.gz CNQAGJOQFZGKTD-AWEZNQCLSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490894 804089252 /nfs/dbraw/zinc/08/92/52/804089252.db2.gz CNQAGJOQFZGKTD-AWEZNQCLSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001269096258 805044506 /nfs/dbraw/zinc/04/45/06/805044506.db2.gz WLQXPLHDFRBJDU-HNNXBMFYSA-N 2 2 287.407 2.291 20 30 CEEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962295 810239902 /nfs/dbraw/zinc/23/99/02/810239902.db2.gz APGCOTZANSRBCZ-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962295 810239906 /nfs/dbraw/zinc/23/99/06/810239906.db2.gz APGCOTZANSRBCZ-MLGOLLRUSA-N 2 2 298.390 2.189 20 30 CEEDLP CCCCCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229056 811442625 /nfs/dbraw/zinc/44/26/25/811442625.db2.gz SCLWENDBJSYFLI-UHFFFAOYSA-N 2 2 280.416 2.019 20 30 CEEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001245981286 813658896 /nfs/dbraw/zinc/65/88/96/813658896.db2.gz ABFVQURJXREKLQ-GJZGRUSLSA-N 2 2 268.445 2.440 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206209223 815791992 /nfs/dbraw/zinc/79/19/92/815791992.db2.gz CRSNNSUQYJZVGE-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Cl ZINC001206209223 815791995 /nfs/dbraw/zinc/79/19/95/815791995.db2.gz CRSNNSUQYJZVGE-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350659 816400050 /nfs/dbraw/zinc/40/00/50/816400050.db2.gz JJMQMXLOCCKPSJ-ZDUSSCGKSA-N 2 2 292.427 2.101 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001140975524 816427788 /nfs/dbraw/zinc/42/77/88/816427788.db2.gz SAYOWERDCXESNG-GOSISDBHSA-N 2 2 298.434 2.174 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001140975524 816427792 /nfs/dbraw/zinc/42/77/92/816427792.db2.gz SAYOWERDCXESNG-GOSISDBHSA-N 2 2 298.434 2.174 20 30 CEEDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000126097790 187217050 /nfs/dbraw/zinc/21/70/50/187217050.db2.gz NKSZDQOJXFPAGT-KRWDZBQOSA-N 2 2 287.407 2.054 20 30 CEEDLP C=CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000216799846 344535122 /nfs/dbraw/zinc/53/51/22/344535122.db2.gz SITVTSZDCCHIKC-UHFFFAOYSA-N 2 2 276.380 2.183 20 30 CEEDLP CCCC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602536628 347069381 /nfs/dbraw/zinc/06/93/81/347069381.db2.gz VOXLZJKALWRKGE-UHFFFAOYSA-N 2 2 272.396 2.307 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+](C)C1CC1 ZINC000602543443 347071089 /nfs/dbraw/zinc/07/10/89/347071089.db2.gz JJLOYUAPYDRNME-UONOGXRCSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+](C)C1CC1 ZINC000602543443 347071090 /nfs/dbraw/zinc/07/10/90/347071090.db2.gz JJLOYUAPYDRNME-UONOGXRCSA-N 2 2 279.428 2.158 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000404262820 344879010 /nfs/dbraw/zinc/87/90/10/344879010.db2.gz SOOZTSIBQHTOBB-UHFFFAOYSA-N 2 2 272.327 2.464 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462899 /nfs/dbraw/zinc/46/28/99/539462899.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 3 2 277.456 2.243 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462905 /nfs/dbraw/zinc/46/29/05/539462905.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 3 2 277.456 2.243 20 30 CEEDLP N#CC1(c2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)CC1 ZINC000594919165 345701265 /nfs/dbraw/zinc/70/12/65/345701265.db2.gz PKQFVASTXOYWLD-UHFFFAOYSA-N 2 2 266.348 2.228 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000061892057 362697541 /nfs/dbraw/zinc/69/75/41/362697541.db2.gz YRRDXCPWNOVEEI-ZFWWWQNUSA-N 2 2 270.380 2.332 20 30 CEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727970 346410364 /nfs/dbraw/zinc/41/03/64/346410364.db2.gz LIERTNTUSJNJKH-HOTGVXAUSA-N 2 2 295.471 2.387 20 30 CEEDLP C[C@H](CCC#N)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000602592043 347091395 /nfs/dbraw/zinc/09/13/95/347091395.db2.gz GZYLDMGNPMZDOC-CYBMUJFWSA-N 2 2 256.353 2.406 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000599664088 346558398 /nfs/dbraw/zinc/55/83/98/346558398.db2.gz MSOFDNAKWCFTJG-OAHLLOKOSA-N 2 2 279.428 2.255 20 30 CEEDLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1C#N ZINC000600708502 346674892 /nfs/dbraw/zinc/67/48/92/346674892.db2.gz CYSZGWQZWQGFGL-XJKCOSOUSA-N 2 2 257.381 2.343 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000602638793 347117984 /nfs/dbraw/zinc/11/79/84/347117984.db2.gz FAJUTHXXUKSFIR-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000602638793 347117988 /nfs/dbraw/zinc/11/79/88/347117988.db2.gz FAJUTHXXUKSFIR-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000610762227 347712370 /nfs/dbraw/zinc/71/23/70/347712370.db2.gz PQHVAHXXLMBZGK-IAGOWNOFSA-N 2 2 292.471 2.027 20 30 CEEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000610762227 347712372 /nfs/dbraw/zinc/71/23/72/347712372.db2.gz PQHVAHXXLMBZGK-IAGOWNOFSA-N 2 2 292.471 2.027 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000611390284 347772875 /nfs/dbraw/zinc/77/28/75/347772875.db2.gz OKRPMRGVVXJTMI-MRXNPFEDSA-N 2 2 266.348 2.422 20 30 CEEDLP N#Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC000610995118 347730012 /nfs/dbraw/zinc/73/00/12/347730012.db2.gz KAHPTBWUTLLWON-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000619716323 349226178 /nfs/dbraw/zinc/22/61/78/349226178.db2.gz JWTAZZZAUCWREJ-OAHLLOKOSA-N 2 2 282.428 2.158 20 30 CEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000619716323 349226182 /nfs/dbraw/zinc/22/61/82/349226182.db2.gz JWTAZZZAUCWREJ-OAHLLOKOSA-N 2 2 282.428 2.158 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011397 /nfs/dbraw/zinc/01/13/97/350011397.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 3 2 279.472 2.489 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623889166 350135740 /nfs/dbraw/zinc/13/57/40/350135740.db2.gz GDPCMLXDBDTBBT-HIFRSBDPSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000629391111 351348444 /nfs/dbraw/zinc/34/84/44/351348444.db2.gz VRDLXWPWTZTNKE-JKSUJKDBSA-N 2 2 260.381 2.482 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000122270940 187023572 /nfs/dbraw/zinc/02/35/72/187023572.db2.gz DGPXWWKAOZVQMK-DOMZBBRYSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000122270940 187023573 /nfs/dbraw/zinc/02/35/73/187023573.db2.gz DGPXWWKAOZVQMK-DOMZBBRYSA-N 2 2 255.365 2.273 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000177909724 189078196 /nfs/dbraw/zinc/07/81/96/189078196.db2.gz SANPOCYAWILODC-CYBMUJFWSA-N 2 2 262.401 2.204 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000179876022 189225491 /nfs/dbraw/zinc/22/54/91/189225491.db2.gz HPMVEAJEOSXKEN-UHFFFAOYSA-N 2 2 274.368 2.162 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478194 541018385 /nfs/dbraw/zinc/01/83/85/541018385.db2.gz QPDLJJUATIAKQA-QGZVFWFLSA-N 2 2 278.440 2.080 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478194 541018386 /nfs/dbraw/zinc/01/83/86/541018386.db2.gz QPDLJJUATIAKQA-QGZVFWFLSA-N 2 2 278.440 2.080 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000677819659 541047088 /nfs/dbraw/zinc/04/70/88/541047088.db2.gz ITRNMBDDKFMCEJ-MRXNPFEDSA-N 2 2 297.402 2.459 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000677819659 541047089 /nfs/dbraw/zinc/04/70/89/541047089.db2.gz ITRNMBDDKFMCEJ-MRXNPFEDSA-N 2 2 297.402 2.459 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000275669472 193099953 /nfs/dbraw/zinc/09/99/53/193099953.db2.gz VMKLGNBINSLIFJ-WBVHZDCISA-N 2 2 296.374 2.302 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124915 365444033 /nfs/dbraw/zinc/44/40/33/365444033.db2.gz KNNIIDGUXKARAE-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124915 365444036 /nfs/dbraw/zinc/44/40/36/365444036.db2.gz KNNIIDGUXKARAE-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124915 365444042 /nfs/dbraw/zinc/44/40/42/365444042.db2.gz KNNIIDGUXKARAE-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124915 365444047 /nfs/dbraw/zinc/44/40/47/365444047.db2.gz KNNIIDGUXKARAE-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP CC(C)[NH2+]C1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000171692989 367596848 /nfs/dbraw/zinc/59/68/48/367596848.db2.gz LRFJYWPJOWIMRL-UHFFFAOYSA-N 2 2 287.407 2.399 20 30 CEEDLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000171692854 367596900 /nfs/dbraw/zinc/59/69/00/367596900.db2.gz FMYNDIDEDPABEE-UHFFFAOYSA-N 2 2 287.407 2.399 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245754983 370870501 /nfs/dbraw/zinc/87/05/01/370870501.db2.gz ZHFNAUSNGNGQNT-RBSFLKMASA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245754983 370870507 /nfs/dbraw/zinc/87/05/07/370870507.db2.gz ZHFNAUSNGNGQNT-RBSFLKMASA-N 2 2 271.368 2.210 20 30 CEEDLP C[NH+](C)Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352838628 369904546 /nfs/dbraw/zinc/90/45/46/369904546.db2.gz GHRGKYDSCSTTSD-UHFFFAOYSA-N 2 2 286.404 2.366 20 30 CEEDLP C=CCCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000193359390 369932016 /nfs/dbraw/zinc/93/20/16/369932016.db2.gz AKEZCXUWOADNKO-INIZCTEOSA-N 2 2 266.429 2.387 20 30 CEEDLP C=CCCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000193359390 369932019 /nfs/dbraw/zinc/93/20/19/369932019.db2.gz AKEZCXUWOADNKO-INIZCTEOSA-N 2 2 266.429 2.387 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360929507 371548561 /nfs/dbraw/zinc/54/85/61/371548561.db2.gz XNLRCOAVYSCKBI-SQNIBIBYSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360929507 371548564 /nfs/dbraw/zinc/54/85/64/371548564.db2.gz XNLRCOAVYSCKBI-SQNIBIBYSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360929507 371548573 /nfs/dbraw/zinc/54/85/73/371548573.db2.gz XNLRCOAVYSCKBI-SQNIBIBYSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360929507 371548578 /nfs/dbraw/zinc/54/85/78/371548578.db2.gz XNLRCOAVYSCKBI-SQNIBIBYSA-N 2 2 281.403 2.474 20 30 CEEDLP C#CC[C@@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000359973112 371495897 /nfs/dbraw/zinc/49/58/97/371495897.db2.gz IPNNVSQDJMNTDS-GFCCVEGCSA-N 2 2 277.437 2.411 20 30 CEEDLP C#CC[C@@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000359973112 371495901 /nfs/dbraw/zinc/49/59/01/371495901.db2.gz IPNNVSQDJMNTDS-GFCCVEGCSA-N 2 2 277.437 2.411 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264121715 371973597 /nfs/dbraw/zinc/97/35/97/371973597.db2.gz VFUUJWWCWJUXGH-ZDUSSCGKSA-N 2 2 280.416 2.319 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264130642 371975776 /nfs/dbraw/zinc/97/57/76/371975776.db2.gz XWVSWFPCQMIPLC-GFCCVEGCSA-N 2 2 268.430 2.007 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000269385848 372437280 /nfs/dbraw/zinc/43/72/80/372437280.db2.gz AXAXOMDPZOLXTH-UHFFFAOYSA-N 2 2 273.355 2.414 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367614176 373167013 /nfs/dbraw/zinc/16/70/13/373167013.db2.gz HOYAOVPERZQTRN-OAHLLOKOSA-N 2 2 274.412 2.417 20 30 CEEDLP CC#CCC[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000368486194 373241960 /nfs/dbraw/zinc/24/19/60/373241960.db2.gz MKIGJRYBHHMUSN-UHFFFAOYSA-N 2 2 257.381 2.396 20 30 CEEDLP CC#CCC[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000368486194 373241966 /nfs/dbraw/zinc/24/19/66/373241966.db2.gz MKIGJRYBHHMUSN-UHFFFAOYSA-N 2 2 257.381 2.396 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325621 374098980 /nfs/dbraw/zinc/09/89/80/374098980.db2.gz LNAYBAKPVGDWAS-YNEHKIRRSA-N 2 2 291.420 2.134 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325621 374098985 /nfs/dbraw/zinc/09/89/85/374098985.db2.gz LNAYBAKPVGDWAS-YNEHKIRRSA-N 2 2 291.420 2.134 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157777 375417559 /nfs/dbraw/zinc/41/75/59/375417559.db2.gz DDPIMUQYDKFQML-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157777 375417563 /nfs/dbraw/zinc/41/75/63/375417563.db2.gz DDPIMUQYDKFQML-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157777 375417567 /nfs/dbraw/zinc/41/75/67/375417567.db2.gz DDPIMUQYDKFQML-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157777 375417575 /nfs/dbraw/zinc/41/75/75/375417575.db2.gz DDPIMUQYDKFQML-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157771 375417791 /nfs/dbraw/zinc/41/77/91/375417791.db2.gz DDPIMUQYDKFQML-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157771 375417795 /nfs/dbraw/zinc/41/77/95/375417795.db2.gz DDPIMUQYDKFQML-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157771 375417798 /nfs/dbraw/zinc/41/77/98/375417798.db2.gz DDPIMUQYDKFQML-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282157771 375417800 /nfs/dbraw/zinc/41/78/00/375417800.db2.gz DDPIMUQYDKFQML-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000420317279 376682153 /nfs/dbraw/zinc/68/21/53/376682153.db2.gz ZFMJDKMSUAISHF-HIFRSBDPSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000420317279 376682160 /nfs/dbraw/zinc/68/21/60/376682160.db2.gz ZFMJDKMSUAISHF-HIFRSBDPSA-N 2 2 289.423 2.143 20 30 CEEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[N@@H+]1C1CC1 ZINC000328951800 376927676 /nfs/dbraw/zinc/92/76/76/376927676.db2.gz NQZJDEKYBMNHND-AGIUHOORSA-N 2 2 288.395 2.027 20 30 CEEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[N@H+]1C1CC1 ZINC000328951800 376927680 /nfs/dbraw/zinc/92/76/80/376927680.db2.gz NQZJDEKYBMNHND-AGIUHOORSA-N 2 2 288.395 2.027 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000294916844 378028251 /nfs/dbraw/zinc/02/82/51/378028251.db2.gz GPGZEPLIFQRFJI-LBPRGKRZSA-N 2 2 294.420 2.140 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000294916844 378028256 /nfs/dbraw/zinc/02/82/56/378028256.db2.gz GPGZEPLIFQRFJI-LBPRGKRZSA-N 2 2 294.420 2.140 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295117232 378043113 /nfs/dbraw/zinc/04/31/13/378043113.db2.gz YAZCYPSJRWDFLE-CYBMUJFWSA-N 2 2 275.352 2.201 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295117232 378043116 /nfs/dbraw/zinc/04/31/16/378043116.db2.gz YAZCYPSJRWDFLE-CYBMUJFWSA-N 2 2 275.352 2.201 20 30 CEEDLP COCCC[N@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449179082 378198632 /nfs/dbraw/zinc/19/86/32/378198632.db2.gz YOKGOONVDDEGLX-UHFFFAOYSA-N 2 2 267.417 2.017 20 30 CEEDLP COCCC[N@@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449179082 378198640 /nfs/dbraw/zinc/19/86/40/378198640.db2.gz YOKGOONVDDEGLX-UHFFFAOYSA-N 2 2 267.417 2.017 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392419 378210917 /nfs/dbraw/zinc/21/09/17/378210917.db2.gz KDDGWZBDYKBGFL-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392419 378210922 /nfs/dbraw/zinc/21/09/22/378210922.db2.gz KDDGWZBDYKBGFL-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449394011 378211642 /nfs/dbraw/zinc/21/16/42/378211642.db2.gz DJJQZIYZBWVRHF-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449394011 378211647 /nfs/dbraw/zinc/21/16/47/378211647.db2.gz DJJQZIYZBWVRHF-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398493 378212976 /nfs/dbraw/zinc/21/29/76/378212976.db2.gz VFKWRVWRNQVGIP-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398493 378212978 /nfs/dbraw/zinc/21/29/78/378212978.db2.gz VFKWRVWRNQVGIP-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000516469696 379281918 /nfs/dbraw/zinc/28/19/18/379281918.db2.gz KVPMWULWOLOOEZ-BBRMVZONSA-N 2 2 257.381 2.373 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000305089885 379631584 /nfs/dbraw/zinc/63/15/84/379631584.db2.gz ZMUCPPUYFQBNLP-GOSISDBHSA-N 2 2 299.418 2.152 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530219452 380197456 /nfs/dbraw/zinc/19/74/56/380197456.db2.gz LTUYKCOFRHYOGH-IUODEOHRSA-N 2 2 255.365 2.493 20 30 CEEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000491694433 380344590 /nfs/dbraw/zinc/34/45/90/380344590.db2.gz FOGUEKVQUBIBQR-HNNXBMFYSA-N 2 2 257.381 2.047 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000191404114 130231840 /nfs/dbraw/zinc/23/18/40/130231840.db2.gz NXAIUFOQXRFPRZ-OAHLLOKOSA-N 2 2 286.423 2.205 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000191404114 130231841 /nfs/dbraw/zinc/23/18/41/130231841.db2.gz NXAIUFOQXRFPRZ-OAHLLOKOSA-N 2 2 286.423 2.205 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC1 ZINC000262102668 394613239 /nfs/dbraw/zinc/61/32/39/394613239.db2.gz JCOUGVQCOWQAQC-AWEZNQCLSA-N 2 2 290.411 2.134 20 30 CEEDLP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)c1ccsc1 ZINC000262648850 394622020 /nfs/dbraw/zinc/62/20/20/394622020.db2.gz JXYVYEUFCNYHGF-WCQYABFASA-N 2 2 280.441 2.068 20 30 CEEDLP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCSCC2)cc1C ZINC000267383678 394677753 /nfs/dbraw/zinc/67/77/53/394677753.db2.gz BDHGRKMGFYVUDG-UHFFFAOYSA-N 2 2 292.452 2.079 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(C)(C)C#N)CC2)c1 ZINC000119995069 394773544 /nfs/dbraw/zinc/77/35/44/394773544.db2.gz DMHGCTBRCRSYMH-UHFFFAOYSA-N 2 2 272.396 2.452 20 30 CEEDLP C#CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281906594 394872944 /nfs/dbraw/zinc/87/29/44/394872944.db2.gz BXXKDJCKIAKGMW-CQSZACIVSA-N 2 2 257.381 2.422 20 30 CEEDLP C#CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281906594 394872947 /nfs/dbraw/zinc/87/29/47/394872947.db2.gz BXXKDJCKIAKGMW-CQSZACIVSA-N 2 2 257.381 2.422 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@@H]2SC)CC1 ZINC000362309030 394852701 /nfs/dbraw/zinc/85/27/01/394852701.db2.gz NTXBOXBOJJFLLF-QLFBSQMISA-N 2 2 284.469 2.135 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285922933 394985622 /nfs/dbraw/zinc/98/56/22/394985622.db2.gz DVSXXOCSWOPGPO-SFHVURJKSA-N 2 2 298.434 2.211 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285922933 394985626 /nfs/dbraw/zinc/98/56/26/394985626.db2.gz DVSXXOCSWOPGPO-SFHVURJKSA-N 2 2 298.434 2.211 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000152988134 394999560 /nfs/dbraw/zinc/99/95/60/394999560.db2.gz FQXMQNFDHVFRFH-CYBMUJFWSA-N 2 2 260.385 2.168 20 30 CEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411427572 395328870 /nfs/dbraw/zinc/32/88/70/395328870.db2.gz OCZAGJLZHOPSTF-KBPBESRZSA-N 2 2 260.385 2.367 20 30 CEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411427572 395328874 /nfs/dbraw/zinc/32/88/74/395328874.db2.gz OCZAGJLZHOPSTF-KBPBESRZSA-N 2 2 260.385 2.367 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000566415083 395520086 /nfs/dbraw/zinc/52/00/86/395520086.db2.gz YBYLGFQOIOHQRG-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000566415083 395520090 /nfs/dbraw/zinc/52/00/90/395520090.db2.gz YBYLGFQOIOHQRG-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000181782087 400289484 /nfs/dbraw/zinc/28/94/84/400289484.db2.gz YLVKUDJMBHMPRA-HUUCEWRRSA-N 2 2 287.407 2.177 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500839 260132481 /nfs/dbraw/zinc/13/24/81/260132481.db2.gz ASSUBNVNVUIVBP-OAHLLOKOSA-N 2 2 283.375 2.321 20 30 CEEDLP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425267211 267005666 /nfs/dbraw/zinc/00/56/66/267005666.db2.gz KYCHBAHYTWWNDT-CYBMUJFWSA-N 2 2 260.385 2.216 20 30 CEEDLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425267211 267005670 /nfs/dbraw/zinc/00/56/70/267005670.db2.gz KYCHBAHYTWWNDT-CYBMUJFWSA-N 2 2 260.385 2.216 20 30 CEEDLP C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000428235974 267319386 /nfs/dbraw/zinc/31/93/86/267319386.db2.gz IPCKJKMRUKPQBU-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000428235974 267319389 /nfs/dbraw/zinc/31/93/89/267319389.db2.gz IPCKJKMRUKPQBU-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(F)c1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000428235974 267319391 /nfs/dbraw/zinc/31/93/91/267319391.db2.gz IPCKJKMRUKPQBU-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(F)c1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000428235974 267319393 /nfs/dbraw/zinc/31/93/93/267319393.db2.gz IPCKJKMRUKPQBU-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339153272 327998538 /nfs/dbraw/zinc/99/85/38/327998538.db2.gz HCDPJEDKSPYNNX-LSDHHAIUSA-N 2 2 270.380 2.204 20 30 CEEDLP C=CCc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc(OC)c1O ZINC000563415097 328063156 /nfs/dbraw/zinc/06/31/56/328063156.db2.gz BVJNUNPFWNKTIY-UHFFFAOYSA-N 2 2 290.407 2.312 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000571445979 328121816 /nfs/dbraw/zinc/12/18/16/328121816.db2.gz FARCEJKNPYEWKJ-MRXNPFEDSA-N 2 2 265.360 2.261 20 30 CEEDLP CC#CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000360968216 328913552 /nfs/dbraw/zinc/91/35/52/328913552.db2.gz HRMPPJNYOUHREL-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454068 329051173 /nfs/dbraw/zinc/05/11/73/329051173.db2.gz PHMFMUGUFMEPEO-VQHPVUNQSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454068 329051175 /nfs/dbraw/zinc/05/11/75/329051175.db2.gz PHMFMUGUFMEPEO-VQHPVUNQSA-N 2 2 291.439 2.300 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173906622 329153651 /nfs/dbraw/zinc/15/36/51/329153651.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173906622 329153652 /nfs/dbraw/zinc/15/36/52/329153652.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173906622 329153653 /nfs/dbraw/zinc/15/36/53/329153653.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173906622 329153654 /nfs/dbraw/zinc/15/36/54/329153654.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000359976078 329644357 /nfs/dbraw/zinc/64/43/57/329644357.db2.gz GDLYSFJUUUVQEE-XHSDSOJGSA-N 2 2 276.424 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278367485 330119387 /nfs/dbraw/zinc/11/93/87/330119387.db2.gz BXKBMIJDAGHPIE-GFCCVEGCSA-N 2 2 292.379 2.367 20 30 CEEDLP C#CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000491304512 332186038 /nfs/dbraw/zinc/18/60/38/332186038.db2.gz GNCOXSVRLBMCPR-UHFFFAOYSA-N 2 2 284.403 2.116 20 30 CEEDLP C#CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000491304512 332186039 /nfs/dbraw/zinc/18/60/39/332186039.db2.gz GNCOXSVRLBMCPR-UHFFFAOYSA-N 2 2 284.403 2.116 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000572992346 334898705 /nfs/dbraw/zinc/89/87/05/334898705.db2.gz GUMOISFUTNWOEK-AWEZNQCLSA-N 2 2 279.347 2.405 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@H+](CCC#N)Cc1ccco1 ZINC000576833880 335253617 /nfs/dbraw/zinc/25/36/17/335253617.db2.gz FJFFJFIVJISRTQ-UHFFFAOYSA-N 2 2 272.352 2.362 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000576833880 335253618 /nfs/dbraw/zinc/25/36/18/335253618.db2.gz FJFFJFIVJISRTQ-UHFFFAOYSA-N 2 2 272.352 2.362 20 30 CEEDLP CC#CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000576865820 335257302 /nfs/dbraw/zinc/25/73/02/335257302.db2.gz PKCYBIZOFWMNHJ-OAHLLOKOSA-N 2 2 285.391 2.017 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C(C)C ZINC000577502878 335360637 /nfs/dbraw/zinc/36/06/37/335360637.db2.gz IASSPXGCHDPYPD-RRFJBIMHSA-N 2 2 254.418 2.044 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000363383738 526623284 /nfs/dbraw/zinc/62/32/84/526623284.db2.gz ACUUFYTXNJKNAB-ROUUACIJSA-N 2 2 299.418 2.149 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000728712096 574468825 /nfs/dbraw/zinc/46/88/25/574468825.db2.gz ZOMWLAXYTRMEOS-ZFWWWQNUSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000728712096 574468826 /nfs/dbraw/zinc/46/88/26/574468826.db2.gz ZOMWLAXYTRMEOS-ZFWWWQNUSA-N 2 2 273.380 2.161 20 30 CEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928334 613286477 /nfs/dbraw/zinc/28/64/77/613286477.db2.gz LSCIINGCUIQTFC-CQSZACIVSA-N 2 2 298.390 2.057 20 30 CEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928334 613286478 /nfs/dbraw/zinc/28/64/78/613286478.db2.gz LSCIINGCUIQTFC-CQSZACIVSA-N 2 2 298.390 2.057 20 30 CEEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971789383 613291369 /nfs/dbraw/zinc/29/13/69/613291369.db2.gz MBHNMXGHZHPDEC-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971789383 613291370 /nfs/dbraw/zinc/29/13/70/613291370.db2.gz MBHNMXGHZHPDEC-AWEZNQCLSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000950886430 613296410 /nfs/dbraw/zinc/29/64/10/613296410.db2.gz GXFPXZONLJJQPG-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170692 613860763 /nfs/dbraw/zinc/86/07/63/613860763.db2.gz PPAMMYOUSFMVKZ-ZIAGYGMSSA-N 2 2 298.390 2.380 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926609811 625277494 /nfs/dbraw/zinc/27/74/94/625277494.db2.gz BAFKXTKTNGSZNQ-JONQDZQNSA-N 2 2 264.413 2.184 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926609811 625277497 /nfs/dbraw/zinc/27/74/97/625277497.db2.gz BAFKXTKTNGSZNQ-JONQDZQNSA-N 2 2 264.413 2.184 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000902445353 634661994 /nfs/dbraw/zinc/66/19/94/634661994.db2.gz LLUUBUHVHIKAQB-YNEHKIRRSA-N 2 2 276.409 2.025 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477967 634668355 /nfs/dbraw/zinc/66/83/55/634668355.db2.gz VZAIEFOWBZMXBI-BSWAZPDLSA-N 2 2 267.376 2.418 20 30 CEEDLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902720045 634793470 /nfs/dbraw/zinc/79/34/70/634793470.db2.gz AXPOBKPYPYLKQV-GFCCVEGCSA-N 2 2 260.385 2.192 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902796225 634837303 /nfs/dbraw/zinc/83/73/03/634837303.db2.gz NIVRZVOIKXOMRZ-SMLCLMEVSA-N 2 2 276.424 2.040 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903057011 634949268 /nfs/dbraw/zinc/94/92/68/634949268.db2.gz YVXYWHHXZJSJMG-GXTWGEPZSA-N 2 2 257.337 2.070 20 30 CEEDLP N#Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000921578904 642247041 /nfs/dbraw/zinc/24/70/41/642247041.db2.gz UYVQWQMHNRYCCH-UHFFFAOYSA-N 2 2 260.366 2.386 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921701777 642548054 /nfs/dbraw/zinc/54/80/54/642548054.db2.gz CKTARUJQNYOUBK-UHFFFAOYSA-N 2 2 274.412 2.348 20 30 CEEDLP C=CC[N@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001000845238 642659901 /nfs/dbraw/zinc/65/99/01/642659901.db2.gz SHDPKDYPSARWFU-UHFFFAOYSA-N 2 2 296.374 2.111 20 30 CEEDLP C=CC[N@@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001000845238 642659904 /nfs/dbraw/zinc/65/99/04/642659904.db2.gz SHDPKDYPSARWFU-UHFFFAOYSA-N 2 2 296.374 2.111 20 30 CEEDLP C#C[C@@](C)(CC)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000852103391 643308674 /nfs/dbraw/zinc/30/86/74/643308674.db2.gz GMTAFTOMWYOSMU-SFHVURJKSA-N 2 2 286.419 2.410 20 30 CEEDLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC000839092579 644145086 /nfs/dbraw/zinc/14/50/86/644145086.db2.gz SHVRPHVHSIRZFH-UHFFFAOYSA-N 2 2 275.396 2.257 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000780558361 647445255 /nfs/dbraw/zinc/44/52/55/647445255.db2.gz OKXTYOQJZQLTBA-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000883131092 652371986 /nfs/dbraw/zinc/37/19/86/652371986.db2.gz FZQJIYFZMRUQTM-UHFFFAOYSA-N 2 2 290.455 2.300 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000883131092 652371988 /nfs/dbraw/zinc/37/19/88/652371988.db2.gz FZQJIYFZMRUQTM-UHFFFAOYSA-N 2 2 290.455 2.300 20 30 CEEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268093079 804417888 /nfs/dbraw/zinc/41/78/88/804417888.db2.gz HGFRYZHYABWMQY-ZDUSSCGKSA-N 2 2 292.427 2.090 20 30 CEEDLP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633096 804938125 /nfs/dbraw/zinc/93/81/25/804938125.db2.gz XCQJUUXBUNJUJM-CYBMUJFWSA-N 2 2 298.390 2.191 20 30 CEEDLP C=CCC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028633096 804938128 /nfs/dbraw/zinc/93/81/28/804938128.db2.gz XCQJUUXBUNJUJM-CYBMUJFWSA-N 2 2 298.390 2.191 20 30 CEEDLP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120497587 815230670 /nfs/dbraw/zinc/23/06/70/815230670.db2.gz XDWZOEXLNPNFKS-KBPBESRZSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120497587 815230676 /nfs/dbraw/zinc/23/06/76/815230676.db2.gz XDWZOEXLNPNFKS-KBPBESRZSA-N 2 2 262.401 2.140 20 30 CEEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001036114580 809859587 /nfs/dbraw/zinc/85/95/87/809859587.db2.gz FFVKGSQNLUNVDW-XJKSGUPXSA-N 2 2 299.418 2.080 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172295175 815387164 /nfs/dbraw/zinc/38/71/64/815387164.db2.gz PTWHETJRRWUXRH-CZUORRHYSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172295175 815387172 /nfs/dbraw/zinc/38/71/72/815387172.db2.gz PTWHETJRRWUXRH-CZUORRHYSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001172488309 815450635 /nfs/dbraw/zinc/45/06/35/815450635.db2.gz SQCAVDVUVUQHOH-AWEZNQCLSA-N 2 2 272.396 2.414 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246624147 814223051 /nfs/dbraw/zinc/22/30/51/814223051.db2.gz CGKIELRDXBKIHT-DLBZAZTESA-N 2 2 298.471 2.426 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246624147 814223060 /nfs/dbraw/zinc/22/30/60/814223060.db2.gz CGKIELRDXBKIHT-DLBZAZTESA-N 2 2 298.471 2.426 20 30 CEEDLP C=CCOC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC001173308349 815662209 /nfs/dbraw/zinc/66/22/09/815662209.db2.gz IMANVGQMGURMED-UHFFFAOYSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC001173311527 815663995 /nfs/dbraw/zinc/66/39/95/815663995.db2.gz LQKMFIIEZRTLIS-SLTAFYQDSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001173311527 815664001 /nfs/dbraw/zinc/66/40/01/815664001.db2.gz LQKMFIIEZRTLIS-SLTAFYQDSA-N 2 2 252.402 2.184 20 30 CEEDLP CSc1nc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1C#N ZINC001206622930 816372704 /nfs/dbraw/zinc/37/27/04/816372704.db2.gz JEVOIHMYTFPJQO-GFCCVEGCSA-N 2 2 290.436 2.236 20 30 CEEDLP CSc1nc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1C#N ZINC001206622930 816372710 /nfs/dbraw/zinc/37/27/10/816372710.db2.gz JEVOIHMYTFPJQO-GFCCVEGCSA-N 2 2 290.436 2.236 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000121135908 365526337 /nfs/dbraw/zinc/52/63/37/365526337.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000121135908 365526341 /nfs/dbraw/zinc/52/63/41/365526341.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121135908 365526345 /nfs/dbraw/zinc/52/63/45/365526345.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000121135908 365526353 /nfs/dbraw/zinc/52/63/53/365526353.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000121242638 365540800 /nfs/dbraw/zinc/54/08/00/365540800.db2.gz MOQMBDRSOVLKGD-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000121242638 365540803 /nfs/dbraw/zinc/54/08/03/365540803.db2.gz MOQMBDRSOVLKGD-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000121242638 365540805 /nfs/dbraw/zinc/54/08/05/365540805.db2.gz MOQMBDRSOVLKGD-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000121242638 365540809 /nfs/dbraw/zinc/54/08/09/365540809.db2.gz MOQMBDRSOVLKGD-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP O=C(CCc1c[nH+]c[nH]1)NC1CC([NH+]2CCCCC2)C1 ZINC000329512179 539241079 /nfs/dbraw/zinc/24/10/79/539241079.db2.gz NKYDSECUPFUKQD-UHFFFAOYSA-N 2 2 276.384 2.316 20 30 CEEDLP O=C(CCc1c[nH]c[nH+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000329512179 539241080 /nfs/dbraw/zinc/24/10/80/539241080.db2.gz NKYDSECUPFUKQD-UHFFFAOYSA-N 2 2 276.384 2.316 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602001973 346954666 /nfs/dbraw/zinc/95/46/66/346954666.db2.gz ORIWESQDVHHHPZ-UHFFFAOYSA-N 2 2 273.355 2.437 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602003227 346955283 /nfs/dbraw/zinc/95/52/83/346955283.db2.gz GLDIFUXSDXOSCP-LBPRGKRZSA-N 2 2 273.355 2.271 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602003227 346955285 /nfs/dbraw/zinc/95/52/85/346955285.db2.gz GLDIFUXSDXOSCP-LBPRGKRZSA-N 2 2 273.355 2.271 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470813 347045511 /nfs/dbraw/zinc/04/55/11/347045511.db2.gz IBIVKOYUBPUQKG-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470813 347045514 /nfs/dbraw/zinc/04/55/14/347045514.db2.gz IBIVKOYUBPUQKG-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470813 347045516 /nfs/dbraw/zinc/04/55/16/347045516.db2.gz IBIVKOYUBPUQKG-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470813 347045519 /nfs/dbraw/zinc/04/55/19/347045519.db2.gz IBIVKOYUBPUQKG-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000589497012 345084601 /nfs/dbraw/zinc/08/46/01/345084601.db2.gz CWGBKZWNDYLEIB-GFCCVEGCSA-N 2 2 273.365 2.048 20 30 CEEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000589497012 345084603 /nfs/dbraw/zinc/08/46/03/345084603.db2.gz CWGBKZWNDYLEIB-GFCCVEGCSA-N 2 2 273.365 2.048 20 30 CEEDLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1C ZINC000591413652 345248624 /nfs/dbraw/zinc/24/86/24/345248624.db2.gz IPQXLYBJOISGGE-MRXNPFEDSA-N 2 2 295.390 2.135 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000591577858 345265910 /nfs/dbraw/zinc/26/59/10/345265910.db2.gz JDRPXMFIFCDPCB-GDBMZVCRSA-N 2 2 255.365 2.277 20 30 CEEDLP COC[C@@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]1 ZINC000591579388 345265944 /nfs/dbraw/zinc/26/59/44/345265944.db2.gz VLSUFYRVZBAWPI-MSOLQXFVSA-N 2 2 299.418 2.294 20 30 CEEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000592476593 345359079 /nfs/dbraw/zinc/35/90/79/345359079.db2.gz GFCZAVCICUDWSB-CQSZACIVSA-N 2 2 275.352 2.192 20 30 CEEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+]C1 ZINC000592476593 345359081 /nfs/dbraw/zinc/35/90/81/345359081.db2.gz GFCZAVCICUDWSB-CQSZACIVSA-N 2 2 275.352 2.192 20 30 CEEDLP COC1CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593703253 345524532 /nfs/dbraw/zinc/52/45/32/345524532.db2.gz RMWDHMLUUAHYHK-UHFFFAOYSA-N 2 2 299.418 2.290 20 30 CEEDLP N#CC1(c2ccc(C[NH2+]CC[NH+]3CCCC3)cc2)CC1 ZINC000594916386 345700583 /nfs/dbraw/zinc/70/05/83/345700583.db2.gz DOESKRLOECTVPC-UHFFFAOYSA-N 2 2 269.392 2.427 20 30 CEEDLP N#CC1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000594938131 345710247 /nfs/dbraw/zinc/71/02/47/345710247.db2.gz SKYKKRKCJXXSBU-UHFFFAOYSA-N 2 2 258.369 2.249 20 30 CEEDLP N#CCC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000597193249 346145596 /nfs/dbraw/zinc/14/55/96/346145596.db2.gz OVBVCFDHZWULFL-UHFFFAOYSA-N 2 2 252.321 2.218 20 30 CEEDLP N#Cc1ccccc1NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000602895385 347241108 /nfs/dbraw/zinc/24/11/08/347241108.db2.gz MNJICOPHAZCHSI-UHFFFAOYSA-N 2 2 295.390 2.331 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000611268141 347761207 /nfs/dbraw/zinc/76/12/07/347761207.db2.gz SSVUDUWBPJPBLV-GFCCVEGCSA-N 2 2 256.309 2.185 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000611268141 347761209 /nfs/dbraw/zinc/76/12/09/347761209.db2.gz SSVUDUWBPJPBLV-GFCCVEGCSA-N 2 2 256.309 2.185 20 30 CEEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000568587875 299146818 /nfs/dbraw/zinc/14/68/18/299146818.db2.gz UGCYVQZNZFDJJS-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000568587875 299146819 /nfs/dbraw/zinc/14/68/19/299146819.db2.gz UGCYVQZNZFDJJS-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433091 215163119 /nfs/dbraw/zinc/16/31/19/215163119.db2.gz JITVFDAFQJZVAG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433091 215163122 /nfs/dbraw/zinc/16/31/22/215163122.db2.gz JITVFDAFQJZVAG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433091 215163126 /nfs/dbraw/zinc/16/31/26/215163126.db2.gz JITVFDAFQJZVAG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433091 215163129 /nfs/dbraw/zinc/16/31/29/215163129.db2.gz JITVFDAFQJZVAG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404256656 233193488 /nfs/dbraw/zinc/19/34/88/233193488.db2.gz OOKSUJBFNNWJTC-NSHDSACASA-N 2 2 258.300 2.072 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000122271100 187023272 /nfs/dbraw/zinc/02/32/72/187023272.db2.gz DGPXWWKAOZVQMK-WFASDCNBSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000122271100 187023273 /nfs/dbraw/zinc/02/32/73/187023273.db2.gz DGPXWWKAOZVQMK-WFASDCNBSA-N 2 2 255.365 2.273 20 30 CEEDLP CC[C@@H](C)[N@H+](C)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000123574553 187099439 /nfs/dbraw/zinc/09/94/39/187099439.db2.gz KVISNZAYHDKFDL-CYBMUJFWSA-N 2 2 285.395 2.026 20 30 CEEDLP CC[C@@H](C)[N@@H+](C)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000123574553 187099440 /nfs/dbraw/zinc/09/94/40/187099440.db2.gz KVISNZAYHDKFDL-CYBMUJFWSA-N 2 2 285.395 2.026 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000336382943 213237510 /nfs/dbraw/zinc/23/75/10/213237510.db2.gz GALSBDJGVALQSU-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000336382943 213237512 /nfs/dbraw/zinc/23/75/12/213237512.db2.gz GALSBDJGVALQSU-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000336382943 213237513 /nfs/dbraw/zinc/23/75/13/213237513.db2.gz GALSBDJGVALQSU-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000336382943 213237515 /nfs/dbraw/zinc/23/75/15/213237515.db2.gz GALSBDJGVALQSU-RDJZCZTQSA-N 2 2 269.392 2.393 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000353430906 283198020 /nfs/dbraw/zinc/19/80/20/283198020.db2.gz XBEZKKWATTXZEL-OAHLLOKOSA-N 2 2 252.321 2.032 20 30 CEEDLP COCC#CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723622 540493071 /nfs/dbraw/zinc/49/30/71/540493071.db2.gz RJDZUHUPORRJKD-IBGZPJMESA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723622 540493074 /nfs/dbraw/zinc/49/30/74/540493074.db2.gz RJDZUHUPORRJKD-IBGZPJMESA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723622 540493078 /nfs/dbraw/zinc/49/30/78/540493078.db2.gz RJDZUHUPORRJKD-IBGZPJMESA-N 2 2 298.430 2.234 20 30 CEEDLP COCC#CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723622 540493080 /nfs/dbraw/zinc/49/30/80/540493080.db2.gz RJDZUHUPORRJKD-IBGZPJMESA-N 2 2 298.430 2.234 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)c1ccsc1 ZINC000170912851 367447496 /nfs/dbraw/zinc/44/74/96/367447496.db2.gz WCWRHUIGQSJSSK-GFCCVEGCSA-N 2 2 268.430 2.007 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000173904095 367956706 /nfs/dbraw/zinc/95/67/06/367956706.db2.gz GPOOKFZIZZPXCP-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000173904095 367956710 /nfs/dbraw/zinc/95/67/10/367956710.db2.gz GPOOKFZIZZPXCP-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000173904095 367956716 /nfs/dbraw/zinc/95/67/16/367956716.db2.gz GPOOKFZIZZPXCP-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000173904095 367956722 /nfs/dbraw/zinc/95/67/22/367956722.db2.gz GPOOKFZIZZPXCP-CQSZACIVSA-N 2 2 257.381 2.332 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675064 368481386 /nfs/dbraw/zinc/48/13/86/368481386.db2.gz GZYBBELSWOIRAX-PBHICJAKSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675064 368481389 /nfs/dbraw/zinc/48/13/89/368481389.db2.gz GZYBBELSWOIRAX-PBHICJAKSA-N 2 2 287.407 2.320 20 30 CEEDLP C=CCOCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000348036523 368867340 /nfs/dbraw/zinc/86/73/40/368867340.db2.gz PLZQZNSPBORONE-UHFFFAOYSA-N 2 2 275.396 2.105 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000634734979 368847780 /nfs/dbraw/zinc/84/77/80/368847780.db2.gz UAQZERXQCRRPAV-WBVHZDCISA-N 2 2 272.392 2.483 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352806542 369885580 /nfs/dbraw/zinc/88/55/80/369885580.db2.gz ZCMJDGOQLMAATL-UHFFFAOYSA-N 2 2 297.387 2.463 20 30 CEEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352830431 369901875 /nfs/dbraw/zinc/90/18/75/369901875.db2.gz AHNQSTSYKBVRAG-LBPRGKRZSA-N 2 2 278.425 2.369 20 30 CEEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352830431 369901880 /nfs/dbraw/zinc/90/18/80/369901880.db2.gz AHNQSTSYKBVRAG-LBPRGKRZSA-N 2 2 278.425 2.369 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261960045 371786407 /nfs/dbraw/zinc/78/64/07/371786407.db2.gz MKAMQKNIPQRJBQ-ZWKOTPCHSA-N 2 2 277.371 2.485 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261960045 371786417 /nfs/dbraw/zinc/78/64/17/371786417.db2.gz MKAMQKNIPQRJBQ-ZWKOTPCHSA-N 2 2 277.371 2.485 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264065736 371960327 /nfs/dbraw/zinc/96/03/27/371960327.db2.gz BDOFRIZHCJUTCI-ZDUSSCGKSA-N 2 2 280.416 2.367 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264101791 371971181 /nfs/dbraw/zinc/97/11/81/371971181.db2.gz OGZXRSXRKBVRSD-HIFRSBDPSA-N 2 2 276.428 2.301 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264133287 371975623 /nfs/dbraw/zinc/97/56/23/371975623.db2.gz YROGSEHYIIYBTR-GFCCVEGCSA-N 2 2 271.368 2.075 20 30 CEEDLP C[C@H](C#N)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263680471 371946642 /nfs/dbraw/zinc/94/66/42/371946642.db2.gz IFXOJKOAICVPNJ-CYBMUJFWSA-N 2 2 254.337 2.464 20 30 CEEDLP C[C@H](C#N)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263680471 371946648 /nfs/dbraw/zinc/94/66/48/371946648.db2.gz IFXOJKOAICVPNJ-CYBMUJFWSA-N 2 2 254.337 2.464 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000353391731 220061956 /nfs/dbraw/zinc/06/19/56/220061956.db2.gz XSUNLCDVIZHDDO-MRXNPFEDSA-N 2 2 266.348 2.422 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000364362024 372738152 /nfs/dbraw/zinc/73/81/52/372738152.db2.gz UUGMBSGSDJJUBD-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP N#Cc1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000270921163 373016523 /nfs/dbraw/zinc/01/65/23/373016523.db2.gz VGMUJIVIKFHPDH-UHFFFAOYSA-N 2 2 296.374 2.298 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334180976 206156052 /nfs/dbraw/zinc/15/60/52/206156052.db2.gz DSHHAIJGAFQCAD-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000334180976 206156054 /nfs/dbraw/zinc/15/60/54/206156054.db2.gz DSHHAIJGAFQCAD-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP CC#CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375013730 374639610 /nfs/dbraw/zinc/63/96/10/374639610.db2.gz RDIFCHBELGAMIA-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP CC#CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375013730 374639618 /nfs/dbraw/zinc/63/96/18/374639618.db2.gz RDIFCHBELGAMIA-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP Cc1[nH+]c[nH]c1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328791578 376899576 /nfs/dbraw/zinc/89/95/76/376899576.db2.gz ZIVWQBWLOFBVQN-UHFFFAOYSA-N 2 2 262.357 2.049 20 30 CEEDLP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000422989180 376909790 /nfs/dbraw/zinc/90/97/90/376909790.db2.gz KQKAGVHGIIRXSV-CZUORRHYSA-N 2 2 273.380 2.057 20 30 CEEDLP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000422989181 376910339 /nfs/dbraw/zinc/91/03/39/376910339.db2.gz KQKAGVHGIIRXSV-XJKSGUPXSA-N 2 2 273.380 2.057 20 30 CEEDLP O=C(NCc1[nH]cc[nH+]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329355980 376951638 /nfs/dbraw/zinc/95/16/38/376951638.db2.gz FRLCDOACHSICEN-GFCCVEGCSA-N 2 2 294.424 2.084 20 30 CEEDLP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000292837943 377307724 /nfs/dbraw/zinc/30/77/24/377307724.db2.gz QGACPQKZXPWNFS-UHFFFAOYSA-N 2 2 295.390 2.214 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000292837943 377307732 /nfs/dbraw/zinc/30/77/32/377307732.db2.gz QGACPQKZXPWNFS-UHFFFAOYSA-N 2 2 295.390 2.214 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000435726905 377808085 /nfs/dbraw/zinc/80/80/85/377808085.db2.gz CFLJAPVOYQJRHQ-KQTLUZQSSA-N 2 2 264.413 2.182 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000435726905 377808097 /nfs/dbraw/zinc/80/80/97/377808097.db2.gz CFLJAPVOYQJRHQ-KQTLUZQSSA-N 2 2 264.413 2.182 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000294889971 378026497 /nfs/dbraw/zinc/02/64/97/378026497.db2.gz DWQGHAOJKDCGEG-AWEZNQCLSA-N 2 2 284.407 2.179 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000294889971 378026502 /nfs/dbraw/zinc/02/65/02/378026502.db2.gz DWQGHAOJKDCGEG-AWEZNQCLSA-N 2 2 284.407 2.179 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494575832 381159953 /nfs/dbraw/zinc/15/99/53/381159953.db2.gz FRIYUOOLVJPSCF-UHFFFAOYSA-N 2 2 263.360 2.351 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)c1cccs1 ZINC000261904982 394609258 /nfs/dbraw/zinc/60/92/58/394609258.db2.gz WWEPXMQVJICFIX-LBPRGKRZSA-N 2 2 280.441 2.198 20 30 CEEDLP C[NH+]=C(NCC1CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977939 394611326 /nfs/dbraw/zinc/61/13/26/394611326.db2.gz OEJHRTRCICFLMK-ZFWWWQNUSA-N 2 2 289.427 2.142 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1ccsc1)[NH+](C)C)N1CCCC1 ZINC000262149009 394613901 /nfs/dbraw/zinc/61/39/01/394613901.db2.gz QXUYITFACHTXMZ-ZDUSSCGKSA-N 2 2 280.441 2.022 20 30 CEEDLP CC1CCN(C(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000122469791 394813857 /nfs/dbraw/zinc/81/38/57/394813857.db2.gz UELCYEBNLUEHQZ-UHFFFAOYSA-N 2 2 285.395 2.152 20 30 CEEDLP C=CC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285364740 394956046 /nfs/dbraw/zinc/95/60/46/394956046.db2.gz QVEFRMGMQGFKFA-UHFFFAOYSA-N 2 2 273.424 2.317 20 30 CEEDLP C=CC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285364740 394956049 /nfs/dbraw/zinc/95/60/49/394956049.db2.gz QVEFRMGMQGFKFA-UHFFFAOYSA-N 2 2 273.424 2.317 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989633 395050993 /nfs/dbraw/zinc/05/09/93/395050993.db2.gz LJKWRQGGLAZZSS-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989633 395050995 /nfs/dbraw/zinc/05/09/95/395050995.db2.gz LJKWRQGGLAZZSS-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000425538989 395061660 /nfs/dbraw/zinc/06/16/60/395061660.db2.gz SZZQYNANVYPHHJ-ZDUSSCGKSA-N 2 2 254.337 2.448 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000425538989 395061663 /nfs/dbraw/zinc/06/16/63/395061663.db2.gz SZZQYNANVYPHHJ-ZDUSSCGKSA-N 2 2 254.337 2.448 20 30 CEEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000186241090 395286607 /nfs/dbraw/zinc/28/66/07/395286607.db2.gz FSPXUQZGIZTCCB-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000186241090 395286614 /nfs/dbraw/zinc/28/66/14/395286614.db2.gz FSPXUQZGIZTCCB-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000533865606 395462301 /nfs/dbraw/zinc/46/23/01/395462301.db2.gz TUWGTJQRTJDZFE-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000533865606 395462303 /nfs/dbraw/zinc/46/23/03/395462303.db2.gz TUWGTJQRTJDZFE-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000648445446 395909896 /nfs/dbraw/zinc/90/98/96/395909896.db2.gz HWSCEFNWXPTRJE-CABCVRRESA-N 2 2 252.402 2.184 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000176946431 165181572 /nfs/dbraw/zinc/18/15/72/165181572.db2.gz QVGOKYGBAWNAEW-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020127036 171012233 /nfs/dbraw/zinc/01/22/33/171012233.db2.gz INGKZIZFYUMSBM-UHFFFAOYSA-N 2 2 260.381 2.437 20 30 CEEDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000037228634 173049295 /nfs/dbraw/zinc/04/92/95/173049295.db2.gz BOGILRKNENWLGO-CQSZACIVSA-N 2 2 273.380 2.335 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501176 414974004 /nfs/dbraw/zinc/97/40/04/414974004.db2.gz BZNYXASIAVPDMW-UHFFFAOYSA-N 2 2 258.365 2.093 20 30 CEEDLP C=CCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653688128 415075019 /nfs/dbraw/zinc/07/50/19/415075019.db2.gz GNXZTUMLEDETSD-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CCCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653688128 415075021 /nfs/dbraw/zinc/07/50/21/415075021.db2.gz GNXZTUMLEDETSD-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689660 415076017 /nfs/dbraw/zinc/07/60/17/415076017.db2.gz IERLKQGLMWLVRH-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221156533 260119278 /nfs/dbraw/zinc/11/92/78/260119278.db2.gz QDPQEKVXDVTQLU-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221156533 260119280 /nfs/dbraw/zinc/11/92/80/260119280.db2.gz QDPQEKVXDVTQLU-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP COc1cccc(C(N)=[NH+]OCCC[NH+]2CCCCC2)c1 ZINC000288629802 263105340 /nfs/dbraw/zinc/10/53/40/263105340.db2.gz PGCYQQMPDOPFTN-UHFFFAOYSA-N 2 2 291.395 2.208 20 30 CEEDLP N#CCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000366762661 263398374 /nfs/dbraw/zinc/39/83/74/263398374.db2.gz YAVKHDAGRUMJNO-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000290434592 264784758 /nfs/dbraw/zinc/78/47/58/264784758.db2.gz RWVBCONPRCHTEQ-GFCCVEGCSA-N 2 2 295.452 2.327 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(COC)s2)CC1 ZINC000357422558 266293618 /nfs/dbraw/zinc/29/36/18/266293618.db2.gz SGAMUPNPNFHJGO-UHFFFAOYSA-N 2 2 295.452 2.420 20 30 CEEDLP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425205318 267950004 /nfs/dbraw/zinc/95/00/04/267950004.db2.gz IJBGWGFVXAXZRU-CQSZACIVSA-N 2 2 260.385 2.072 20 30 CEEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000287201793 274212168 /nfs/dbraw/zinc/21/21/68/274212168.db2.gz WIFNHSJJXNTYOF-AWEZNQCLSA-N 2 2 286.423 2.067 20 30 CEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329178199 276152741 /nfs/dbraw/zinc/15/27/41/276152741.db2.gz NKEBLGCTATWWIL-SMDDNHRTSA-N 2 2 276.384 2.098 20 30 CEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329178199 276152742 /nfs/dbraw/zinc/15/27/42/276152742.db2.gz NKEBLGCTATWWIL-SMDDNHRTSA-N 2 2 276.384 2.098 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000377550793 329018830 /nfs/dbraw/zinc/01/88/30/329018830.db2.gz RUGZTXZAYGHPMZ-RTBURBONSA-N 2 2 298.430 2.258 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423113067 330170709 /nfs/dbraw/zinc/17/07/09/330170709.db2.gz YHTLMSLQUIYIFO-ZBFHGGJFSA-N 2 2 290.407 2.108 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506489 330208916 /nfs/dbraw/zinc/20/89/16/330208916.db2.gz HUVGGQJSEJLODK-QSPRXWTASA-N 2 2 269.392 2.414 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453345091 331119791 /nfs/dbraw/zinc/11/97/91/331119791.db2.gz HFRRWNRWGHCMHP-CGTJXYLNSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453345091 331119792 /nfs/dbraw/zinc/11/97/92/331119792.db2.gz HFRRWNRWGHCMHP-CGTJXYLNSA-N 2 2 288.435 2.424 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159217 /nfs/dbraw/zinc/15/92/17/332159217.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159218 /nfs/dbraw/zinc/15/92/18/332159218.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159220 /nfs/dbraw/zinc/15/92/20/332159220.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159221 /nfs/dbraw/zinc/15/92/21/332159221.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 3 2 299.462 2.367 20 30 CEEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000566117890 334624775 /nfs/dbraw/zinc/62/47/75/334624775.db2.gz XUEPVNZYZGNTFT-UONOGXRCSA-N 2 2 264.417 2.386 20 30 CEEDLP C[NH+](C)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342689270 335185734 /nfs/dbraw/zinc/18/57/34/335185734.db2.gz DFSBRFYAQCLUCC-UHFFFAOYSA-N 2 2 257.381 2.279 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2COCC)CC1 ZINC000354329333 526454694 /nfs/dbraw/zinc/45/46/94/526454694.db2.gz KZGLBJAPEQFROI-GDBMZVCRSA-N 2 2 266.429 2.432 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000328066490 627771507 /nfs/dbraw/zinc/77/15/07/627771507.db2.gz CROUEXMJNKRNQJ-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000328066490 627771510 /nfs/dbraw/zinc/77/15/10/627771510.db2.gz CROUEXMJNKRNQJ-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000104153793 628380559 /nfs/dbraw/zinc/38/05/59/628380559.db2.gz ZWOWPUWRBULHOG-GDBMZVCRSA-N 2 2 288.439 2.336 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000894640210 629569739 /nfs/dbraw/zinc/56/97/39/629569739.db2.gz YTBGCOCURCVMMR-UHFFFAOYSA-N 2 2 273.424 2.325 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000894640210 629569742 /nfs/dbraw/zinc/56/97/42/629569742.db2.gz YTBGCOCURCVMMR-UHFFFAOYSA-N 2 2 273.424 2.325 20 30 CEEDLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902725085 634794807 /nfs/dbraw/zinc/79/48/07/634794807.db2.gz PAYDXTGVGWXTFA-HNNXBMFYSA-N 2 2 254.337 2.496 20 30 CEEDLP C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C[NH+]1CCCC1 ZINC000902756334 634811560 /nfs/dbraw/zinc/81/15/60/634811560.db2.gz XIALNPSMAVDPAB-ZIAGYGMSSA-N 2 2 272.396 2.336 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000815652582 633043533 /nfs/dbraw/zinc/04/35/33/633043533.db2.gz JBXRQCCRPZXGIZ-AWEZNQCLSA-N 2 2 291.414 2.497 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000815652582 633043538 /nfs/dbraw/zinc/04/35/38/633043538.db2.gz JBXRQCCRPZXGIZ-AWEZNQCLSA-N 2 2 291.414 2.497 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817918609 633776812 /nfs/dbraw/zinc/77/68/12/633776812.db2.gz LHYJRUFNNUSNDN-CVEARBPZSA-N 2 2 273.380 2.209 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000903420523 635122057 /nfs/dbraw/zinc/12/20/57/635122057.db2.gz ANPFHKDBVZESDP-OAHLLOKOSA-N 2 2 257.381 2.488 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000903420523 635122055 /nfs/dbraw/zinc/12/20/55/635122055.db2.gz ANPFHKDBVZESDP-OAHLLOKOSA-N 2 2 257.381 2.488 20 30 CEEDLP CCO[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903461052 635125920 /nfs/dbraw/zinc/12/59/20/635125920.db2.gz NWQPJRLBKHCOLF-UKRRQHHQSA-N 2 2 293.798 2.007 20 30 CEEDLP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903461052 635125922 /nfs/dbraw/zinc/12/59/22/635125922.db2.gz NWQPJRLBKHCOLF-UKRRQHHQSA-N 2 2 293.798 2.007 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000823617783 635233186 /nfs/dbraw/zinc/23/31/86/635233186.db2.gz MSZLWFUVLBHJAD-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000823617783 635233195 /nfs/dbraw/zinc/23/31/95/635233195.db2.gz MSZLWFUVLBHJAD-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154553646 640923681 /nfs/dbraw/zinc/92/36/81/640923681.db2.gz BZLMIYPEWQDPMY-ZBFHGGJFSA-N 2 2 272.392 2.443 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154553646 640923682 /nfs/dbraw/zinc/92/36/82/640923682.db2.gz BZLMIYPEWQDPMY-ZBFHGGJFSA-N 2 2 272.392 2.443 20 30 CEEDLP N#CCCCOc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000237819758 641386861 /nfs/dbraw/zinc/38/68/61/641386861.db2.gz CWLMTRAHTSXISA-UHFFFAOYSA-N 2 2 284.363 2.355 20 30 CEEDLP CC[C@@H](C)[NH2+][C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000849026564 642239544 /nfs/dbraw/zinc/23/95/44/642239544.db2.gz ATQWUUFEDAPXHO-OLZOCXBDSA-N 2 2 280.416 2.188 20 30 CEEDLP C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299621 643644316 /nfs/dbraw/zinc/64/43/16/643644316.db2.gz XYMTWQDWDYQTFC-DLOVCJGASA-N 2 2 286.828 2.240 20 30 CEEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299621 643644318 /nfs/dbraw/zinc/64/43/18/643644318.db2.gz XYMTWQDWDYQTFC-DLOVCJGASA-N 2 2 286.828 2.240 20 30 CEEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742173 650885560 /nfs/dbraw/zinc/88/55/60/650885560.db2.gz CFOGTNBDRMWDET-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742173 650885561 /nfs/dbraw/zinc/88/55/61/650885561.db2.gz CFOGTNBDRMWDET-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742173 650885562 /nfs/dbraw/zinc/88/55/62/650885562.db2.gz CFOGTNBDRMWDET-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742173 650885563 /nfs/dbraw/zinc/88/55/63/650885563.db2.gz CFOGTNBDRMWDET-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000858420863 645153147 /nfs/dbraw/zinc/15/31/47/645153147.db2.gz JUEIMFUUIMEXBJ-LBPRGKRZSA-N 2 2 263.410 2.065 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000858420863 645153149 /nfs/dbraw/zinc/15/31/49/645153149.db2.gz JUEIMFUUIMEXBJ-LBPRGKRZSA-N 2 2 263.410 2.065 20 30 CEEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+](C)C ZINC000866363537 647756803 /nfs/dbraw/zinc/75/68/03/647756803.db2.gz JMORWJVYFABBFD-RYUDHWBXSA-N 2 2 261.369 2.112 20 30 CEEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC#N)CC2)cc1 ZINC000787298488 648096421 /nfs/dbraw/zinc/09/64/21/648096421.db2.gz JXXVVJVUDXTIQK-UHFFFAOYSA-N 2 2 272.396 2.225 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130351 651387390 /nfs/dbraw/zinc/38/73/90/651387390.db2.gz FTDQPALVVCQSGU-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130351 651387391 /nfs/dbraw/zinc/38/73/91/651387391.db2.gz FTDQPALVVCQSGU-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130351 651387392 /nfs/dbraw/zinc/38/73/92/651387392.db2.gz FTDQPALVVCQSGU-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130351 651387393 /nfs/dbraw/zinc/38/73/93/651387393.db2.gz FTDQPALVVCQSGU-QZTJIDSGSA-N 2 2 299.418 2.496 20 30 CEEDLP C#CCC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000880481621 651448198 /nfs/dbraw/zinc/44/81/98/651448198.db2.gz LTQDYAPFXACJDL-UHFFFAOYSA-N 2 2 295.386 2.223 20 30 CEEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CCCO1 ZINC000883164851 652384718 /nfs/dbraw/zinc/38/47/18/652384718.db2.gz PLXHKIPMQQAOSF-UONOGXRCSA-N 2 2 254.418 2.430 20 30 CEEDLP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120497588 815230696 /nfs/dbraw/zinc/23/06/96/815230696.db2.gz XDWZOEXLNPNFKS-KGLIPLIRSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120497588 815230700 /nfs/dbraw/zinc/23/07/00/815230700.db2.gz XDWZOEXLNPNFKS-KGLIPLIRSA-N 2 2 262.401 2.140 20 30 CEEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)ccc2CC#N)CC1 ZINC001168746551 809223302 /nfs/dbraw/zinc/22/33/02/809223302.db2.gz WAVHRJSFLLVCLN-UHFFFAOYSA-N 2 2 291.786 2.000 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874691 809438986 /nfs/dbraw/zinc/43/89/86/809438986.db2.gz FCIAMKZPPHCCKT-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874691 809438993 /nfs/dbraw/zinc/43/89/93/809438993.db2.gz FCIAMKZPPHCCKT-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001019171758 810682299 /nfs/dbraw/zinc/68/22/99/810682299.db2.gz NYRSLHXOBVALEL-HNNXBMFYSA-N 2 2 287.407 2.387 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206182556 815541612 /nfs/dbraw/zinc/54/16/12/815541612.db2.gz BHKXBWOSBLBPGN-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206182556 815541614 /nfs/dbraw/zinc/54/16/14/815541614.db2.gz BHKXBWOSBLBPGN-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054797844 812650443 /nfs/dbraw/zinc/65/04/43/812650443.db2.gz MHLKWNFDUOWIPK-LRDDRELGSA-N 2 2 298.390 2.189 20 30 CEEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246101336 813691903 /nfs/dbraw/zinc/69/19/03/813691903.db2.gz OZMFSEZEHUJSAA-RRFJBIMHSA-N 2 2 256.434 2.438 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001171178576 814059214 /nfs/dbraw/zinc/05/92/14/814059214.db2.gz HFISRFZKKLRYLZ-CJNGLKHVSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001171178576 814059224 /nfs/dbraw/zinc/05/92/24/814059224.db2.gz HFISRFZKKLRYLZ-CJNGLKHVSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC[NH+]1CCCC1 ZINC001171176067 814060878 /nfs/dbraw/zinc/06/08/78/814060878.db2.gz OWWSQMXBHLFEGY-CQSZACIVSA-N 2 2 257.381 2.175 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001138560121 815830209 /nfs/dbraw/zinc/83/02/09/815830209.db2.gz HUQHBKOWVQSMJS-SJLPKXTDSA-N 2 2 284.403 2.082 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001138560121 815830214 /nfs/dbraw/zinc/83/02/14/815830214.db2.gz HUQHBKOWVQSMJS-SJLPKXTDSA-N 2 2 284.403 2.082 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343663 816788419 /nfs/dbraw/zinc/78/84/19/816788419.db2.gz HSVHNAKYFFQCHS-OAHLLOKOSA-N 2 2 261.344 2.211 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343663 816788421 /nfs/dbraw/zinc/78/84/21/816788421.db2.gz HSVHNAKYFFQCHS-OAHLLOKOSA-N 2 2 261.344 2.211 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333110 346822935 /nfs/dbraw/zinc/82/29/35/346822935.db2.gz AJOKGJJFOFZTEI-GDBMZVCRSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333110 346822937 /nfs/dbraw/zinc/82/29/37/346822937.db2.gz AJOKGJJFOFZTEI-GDBMZVCRSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484159 347054779 /nfs/dbraw/zinc/05/47/79/347054779.db2.gz HWZMIWWYXXABMM-KSSFIOAISA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484159 347054780 /nfs/dbraw/zinc/05/47/80/347054780.db2.gz HWZMIWWYXXABMM-KSSFIOAISA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000602484159 347054782 /nfs/dbraw/zinc/05/47/82/347054782.db2.gz HWZMIWWYXXABMM-KSSFIOAISA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000602484159 347054783 /nfs/dbraw/zinc/05/47/83/347054783.db2.gz HWZMIWWYXXABMM-KSSFIOAISA-N 2 2 296.418 2.402 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506553 347060147 /nfs/dbraw/zinc/06/01/47/347060147.db2.gz DHFIMGYTOJCIAC-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506553 347060149 /nfs/dbraw/zinc/06/01/49/347060149.db2.gz DHFIMGYTOJCIAC-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H](C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCCCC1 ZINC000602519465 347065185 /nfs/dbraw/zinc/06/51/85/347065185.db2.gz YQJSFRFJGLETNK-CQSZACIVSA-N 2 2 272.396 2.165 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602544540 347071819 /nfs/dbraw/zinc/07/18/19/347071819.db2.gz KVECPXLQZKIQSJ-AWEZNQCLSA-N 2 2 272.396 2.163 20 30 CEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602544540 347071822 /nfs/dbraw/zinc/07/18/22/347071822.db2.gz KVECPXLQZKIQSJ-AWEZNQCLSA-N 2 2 272.396 2.163 20 30 CEEDLP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc(C#N)n2)ccc1F ZINC000602547763 347072573 /nfs/dbraw/zinc/07/25/73/347072573.db2.gz OIQOBIYUWMYVPK-UHFFFAOYSA-N 2 2 298.365 2.444 20 30 CEEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1-c1ccccc1 ZINC000592523088 345366485 /nfs/dbraw/zinc/36/64/85/345366485.db2.gz VOQCYDODSBWNHA-QGZVFWFLSA-N 2 2 296.374 2.031 20 30 CEEDLP Cc1[nH+]cc(C[N@H+]2CC[C@](O)(CC#N)C2)n1-c1ccccc1 ZINC000592523088 345366489 /nfs/dbraw/zinc/36/64/89/345366489.db2.gz VOQCYDODSBWNHA-QGZVFWFLSA-N 2 2 296.374 2.031 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000594613574 345662988 /nfs/dbraw/zinc/66/29/88/345662988.db2.gz KJVXYNXGSZFURG-UHFFFAOYSA-N 2 2 292.379 2.115 20 30 CEEDLP CC1(C#N)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597079546 346125005 /nfs/dbraw/zinc/12/50/05/346125005.db2.gz DDSHFXZANQRQBE-UHFFFAOYSA-N 2 2 281.363 2.393 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232879 346156941 /nfs/dbraw/zinc/15/69/41/346156941.db2.gz XMUJISOSGQESHV-INIZCTEOSA-N 2 2 281.363 2.311 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232879 346156944 /nfs/dbraw/zinc/15/69/44/346156944.db2.gz XMUJISOSGQESHV-INIZCTEOSA-N 2 2 281.363 2.311 20 30 CEEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602665026 347131471 /nfs/dbraw/zinc/13/14/71/347131471.db2.gz XGWMSVHJYPYHMJ-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602665026 347131473 /nfs/dbraw/zinc/13/14/73/347131473.db2.gz XGWMSVHJYPYHMJ-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000610994285 347730002 /nfs/dbraw/zinc/73/00/02/347730002.db2.gz XJRCGNWCHZGXPO-MRXNPFEDSA-N 2 2 284.407 2.261 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000610994285 347730005 /nfs/dbraw/zinc/73/00/05/347730005.db2.gz XJRCGNWCHZGXPO-MRXNPFEDSA-N 2 2 284.407 2.261 20 30 CEEDLP C=CCCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544421 350524653 /nfs/dbraw/zinc/52/46/53/350524653.db2.gz RIVJMNKRIVHIAK-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193044 299244239 /nfs/dbraw/zinc/24/42/39/299244239.db2.gz RGPXWNRPMHOOKD-DYVFJYSZSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193044 299244240 /nfs/dbraw/zinc/24/42/40/299244240.db2.gz RGPXWNRPMHOOKD-DYVFJYSZSA-N 2 2 269.392 2.477 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000353426388 283198390 /nfs/dbraw/zinc/19/83/90/283198390.db2.gz MCFUZLQAXGYAQE-MRXNPFEDSA-N 2 2 255.365 2.231 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000177908504 189078089 /nfs/dbraw/zinc/07/80/89/189078089.db2.gz BSQZKDJZIROPRN-GFCCVEGCSA-N 2 2 262.401 2.030 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678718982 541166515 /nfs/dbraw/zinc/16/65/15/541166515.db2.gz SGPOQGYBRSTXJQ-HOCLYGCPSA-N 2 2 293.455 2.145 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678718982 541166518 /nfs/dbraw/zinc/16/65/18/541166518.db2.gz SGPOQGYBRSTXJQ-HOCLYGCPSA-N 2 2 293.455 2.145 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176942466 368254665 /nfs/dbraw/zinc/25/46/65/368254665.db2.gz XZSDPJOMUAWPHL-ZDUSSCGKSA-N 2 2 293.436 2.066 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176942466 368254671 /nfs/dbraw/zinc/25/46/71/368254671.db2.gz XZSDPJOMUAWPHL-ZDUSSCGKSA-N 2 2 293.436 2.066 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335498457 212178240 /nfs/dbraw/zinc/17/82/40/212178240.db2.gz NJHSJPHPMXXIEF-RISCZKNCSA-N 2 2 261.344 2.490 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000181718830 368485655 /nfs/dbraw/zinc/48/56/55/368485655.db2.gz FOHPSIXEGVBVPN-GOSISDBHSA-N 2 2 299.418 2.291 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088900 370900445 /nfs/dbraw/zinc/90/04/45/370900445.db2.gz RFEPYAAEJAAMJU-BBRMVZONSA-N 2 2 289.448 2.331 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088900 370900450 /nfs/dbraw/zinc/90/04/50/370900450.db2.gz RFEPYAAEJAAMJU-BBRMVZONSA-N 2 2 289.448 2.331 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634680420 368810653 /nfs/dbraw/zinc/81/06/53/368810653.db2.gz RUBZOHUDUAXWHY-CQSZACIVSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186714347 369026233 /nfs/dbraw/zinc/02/62/33/369026233.db2.gz BGIGFKVRBOBWFI-PVAVHDDUSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186714347 369026237 /nfs/dbraw/zinc/02/62/37/369026237.db2.gz BGIGFKVRBOBWFI-PVAVHDDUSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635021901 369059296 /nfs/dbraw/zinc/05/92/96/369059296.db2.gz PIORKRPPMLCUOK-LSDHHAIUSA-N 2 2 266.429 2.335 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330876473 203342319 /nfs/dbraw/zinc/34/23/19/203342319.db2.gz FSZAYYPCIPMZDM-CQSZACIVSA-N 2 2 295.390 2.160 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639327760 371236506 /nfs/dbraw/zinc/23/65/06/371236506.db2.gz SFPMPITWIWPJFH-RYRKJORJSA-N 2 2 286.419 2.491 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639327760 371236509 /nfs/dbraw/zinc/23/65/09/371236509.db2.gz SFPMPITWIWPJFH-RYRKJORJSA-N 2 2 286.419 2.491 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264101315 371970708 /nfs/dbraw/zinc/97/07/08/371970708.db2.gz OAIKDBQIJCZNCG-CQSZACIVSA-N 2 2 280.391 2.133 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000365494025 372874236 /nfs/dbraw/zinc/87/42/36/372874236.db2.gz PWLQYHOYKYRBDR-BZSNNMDCSA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000365494025 372874242 /nfs/dbraw/zinc/87/42/42/372874242.db2.gz PWLQYHOYKYRBDR-BZSNNMDCSA-N 2 2 299.418 2.462 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371795361 373980790 /nfs/dbraw/zinc/98/07/90/373980790.db2.gz HDUZWNPMGXPKSX-HOTGVXAUSA-N 2 2 293.455 2.407 20 30 CEEDLP C#CCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515400 374661347 /nfs/dbraw/zinc/66/13/47/374661347.db2.gz RPZHZAAJYQFBDQ-SWLSCSKDSA-N 2 2 277.437 2.275 20 30 CEEDLP C#CCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515400 374661349 /nfs/dbraw/zinc/66/13/49/374661349.db2.gz RPZHZAAJYQFBDQ-SWLSCSKDSA-N 2 2 277.437 2.275 20 30 CEEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000563351365 377181392 /nfs/dbraw/zinc/18/13/92/377181392.db2.gz ZNAVTKKAZUVMHK-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000563351365 377181399 /nfs/dbraw/zinc/18/13/99/377181399.db2.gz ZNAVTKKAZUVMHK-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000563351365 377181404 /nfs/dbraw/zinc/18/14/04/377181404.db2.gz ZNAVTKKAZUVMHK-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000563351365 377181411 /nfs/dbraw/zinc/18/14/11/377181411.db2.gz ZNAVTKKAZUVMHK-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000566117888 377728580 /nfs/dbraw/zinc/72/85/80/377728580.db2.gz XUEPVNZYZGNTFT-KBPBESRZSA-N 2 2 264.417 2.386 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000294878652 378025214 /nfs/dbraw/zinc/02/52/14/378025214.db2.gz DEOBETVGKHRSDK-CYBMUJFWSA-N 2 2 278.371 2.440 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000294878652 378025220 /nfs/dbraw/zinc/02/52/20/378025220.db2.gz DEOBETVGKHRSDK-CYBMUJFWSA-N 2 2 278.371 2.440 20 30 CEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518674289 379401614 /nfs/dbraw/zinc/40/16/14/379401614.db2.gz REWOSWCWAPWRDQ-HNNXBMFYSA-N 2 2 299.418 2.243 20 30 CEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518674289 379401625 /nfs/dbraw/zinc/40/16/25/379401625.db2.gz REWOSWCWAPWRDQ-HNNXBMFYSA-N 2 2 299.418 2.243 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000281606491 195306006 /nfs/dbraw/zinc/30/60/06/195306006.db2.gz GIDSAXLSIVKBNA-WBMJQRKESA-N 2 2 285.391 2.139 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000281606491 195306008 /nfs/dbraw/zinc/30/60/08/195306008.db2.gz GIDSAXLSIVKBNA-WBMJQRKESA-N 2 2 285.391 2.139 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccsc1 ZINC000261907051 394608922 /nfs/dbraw/zinc/60/89/22/394608922.db2.gz XFTIBFUJHRVKEJ-ZDUSSCGKSA-N 2 2 280.441 2.198 20 30 CEEDLP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261954563 394610236 /nfs/dbraw/zinc/61/02/36/394610236.db2.gz IJHVOHLAVQRISM-LXTVHRRPSA-N 2 2 289.427 2.140 20 30 CEEDLP CC(C)CCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000104154708 394717659 /nfs/dbraw/zinc/71/76/59/394717659.db2.gz NBNOQEUAZMGGNB-LBPRGKRZSA-N 2 2 282.457 2.301 20 30 CEEDLP Cc1cc(NCC2(C[NH+](C)C)CCCC2)c(C#N)c[nH+]1 ZINC000425235896 395052974 /nfs/dbraw/zinc/05/29/74/395052974.db2.gz DRAHIZRQPVXZRC-UHFFFAOYSA-N 2 2 272.396 2.218 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000352901164 395274196 /nfs/dbraw/zinc/27/41/96/395274196.db2.gz LASJJNQERVQVMU-WMLDXEAASA-N 2 2 277.456 2.099 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000352921049 395277115 /nfs/dbraw/zinc/27/71/15/395277115.db2.gz FFHKKPKLDDEIKA-BBRMVZONSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000352921049 395277119 /nfs/dbraw/zinc/27/71/19/395277119.db2.gz FFHKKPKLDDEIKA-BBRMVZONSA-N 2 2 260.381 2.291 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857960 395536490 /nfs/dbraw/zinc/53/64/90/395536490.db2.gz QVQXZCKAQFXKNV-DYVFJYSZSA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857960 395536492 /nfs/dbraw/zinc/53/64/92/395536492.db2.gz QVQXZCKAQFXKNV-DYVFJYSZSA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857959 395536827 /nfs/dbraw/zinc/53/68/27/395536827.db2.gz QVQXZCKAQFXKNV-CXAGYDPISA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857959 395536829 /nfs/dbraw/zinc/53/68/29/395536829.db2.gz QVQXZCKAQFXKNV-CXAGYDPISA-N 2 2 269.392 2.325 20 30 CEEDLP Cn1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC000359744994 155126190 /nfs/dbraw/zinc/12/61/90/155126190.db2.gz CBTACFHSLDKPRT-UHFFFAOYSA-N 2 2 291.358 2.372 20 30 CEEDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000375934371 157163719 /nfs/dbraw/zinc/16/37/19/157163719.db2.gz VMUKJQVMLFDJEO-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000375934371 157163722 /nfs/dbraw/zinc/16/37/22/157163722.db2.gz VMUKJQVMLFDJEO-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP CC(C)[NH2+]C1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000179833677 165293593 /nfs/dbraw/zinc/29/35/93/165293593.db2.gz CMYIMPDDHQLZFH-UHFFFAOYSA-N 2 2 297.406 2.168 20 30 CEEDLP C[N@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746947 174392009 /nfs/dbraw/zinc/39/20/09/174392009.db2.gz YLOSXQOIXWPCDK-XYPWUTKMSA-N 2 2 255.365 2.273 20 30 CEEDLP C[N@@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746947 174392011 /nfs/dbraw/zinc/39/20/11/174392011.db2.gz YLOSXQOIXWPCDK-XYPWUTKMSA-N 2 2 255.365 2.273 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000126180437 260345892 /nfs/dbraw/zinc/34/58/92/260345892.db2.gz JXNJBWBYZRVMRJ-AQFXKWCLSA-N 2 2 269.392 2.294 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000126180437 260345894 /nfs/dbraw/zinc/34/58/94/260345894.db2.gz JXNJBWBYZRVMRJ-AQFXKWCLSA-N 2 2 269.392 2.294 20 30 CEEDLP CC[NH+]=C(NCC(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160118492 261205078 /nfs/dbraw/zinc/20/50/78/261205078.db2.gz KTXCANKBVKXZBG-HUUCEWRRSA-N 2 2 291.443 2.388 20 30 CEEDLP Cn1cc[nH+]c1N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000277822935 263043738 /nfs/dbraw/zinc/04/37/38/263043738.db2.gz VSZTZHTVRUOKSV-UHFFFAOYSA-N 2 2 289.427 2.262 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]CC[N@H+]2CC=CCC2)cc1 ZINC000279822507 263057507 /nfs/dbraw/zinc/05/75/07/263057507.db2.gz POEYIEKYDKMBFN-UHFFFAOYSA-N 2 2 298.434 2.388 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]CC[N@@H+]2CC=CCC2)cc1 ZINC000279822507 263057508 /nfs/dbraw/zinc/05/75/08/263057508.db2.gz POEYIEKYDKMBFN-UHFFFAOYSA-N 2 2 298.434 2.388 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414908906 263115173 /nfs/dbraw/zinc/11/51/73/263115173.db2.gz BODWACFQLHJWNF-BBRMVZONSA-N 2 2 260.381 2.339 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415065666 263259744 /nfs/dbraw/zinc/25/97/44/263259744.db2.gz HCSYTKUDDSBCNE-OAHLLOKOSA-N 2 2 260.381 2.483 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425239852 267052738 /nfs/dbraw/zinc/05/27/38/267052738.db2.gz XNWBBELOAKKDGT-ZDUSSCGKSA-N 2 2 258.369 2.040 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425239852 267052742 /nfs/dbraw/zinc/05/27/42/267052742.db2.gz XNWBBELOAKKDGT-ZDUSSCGKSA-N 2 2 258.369 2.040 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425235149 271142090 /nfs/dbraw/zinc/14/20/90/271142090.db2.gz OTDGKVRDWLDQIB-CQSZACIVSA-N 2 2 272.396 2.430 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425235149 271142094 /nfs/dbraw/zinc/14/20/94/271142094.db2.gz OTDGKVRDWLDQIB-CQSZACIVSA-N 2 2 272.396 2.430 20 30 CEEDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442640774 328499218 /nfs/dbraw/zinc/49/92/18/328499218.db2.gz BTLGXNBRUPGCNE-ZACQAIPSSA-N 2 2 271.408 2.441 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422976144 330162225 /nfs/dbraw/zinc/16/22/25/330162225.db2.gz HTNKMHVOMHPHHP-HOTGVXAUSA-N 3 2 265.445 2.277 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974520 330164650 /nfs/dbraw/zinc/16/46/50/330164650.db2.gz FAQAZVMXINGRRO-ZBFHGGJFSA-N 3 2 265.445 2.005 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424314539 330339146 /nfs/dbraw/zinc/33/91/46/330339146.db2.gz OPXPUVSVLVPCDP-MDBPOYHNSA-N 2 2 278.440 2.430 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159345 /nfs/dbraw/zinc/15/93/45/332159345.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159347 /nfs/dbraw/zinc/15/93/47/332159347.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159348 /nfs/dbraw/zinc/15/93/48/332159348.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159350 /nfs/dbraw/zinc/15/93/50/332159350.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 3 2 299.462 2.367 20 30 CEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](C#N)CCC#N)CCC2 ZINC000576082764 335150339 /nfs/dbraw/zinc/15/03/39/335150339.db2.gz UPNGPNKBILWYKQ-UONOGXRCSA-N 2 2 271.368 2.102 20 30 CEEDLP C=CCOc1ccccc1C[NH+]1CCC([NH2+]C)CC1 ZINC000347102789 526932029 /nfs/dbraw/zinc/93/20/29/526932029.db2.gz NBEYLORYPDYNRM-UHFFFAOYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001020414100 622571207 /nfs/dbraw/zinc/57/12/07/622571207.db2.gz UPLUVQGFSHALTO-HDJSIYSDSA-N 2 2 273.380 2.043 20 30 CEEDLP C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000891671968 623884850 /nfs/dbraw/zinc/88/48/50/623884850.db2.gz SXPXQLKYWBTTCN-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000891671968 623884861 /nfs/dbraw/zinc/88/48/61/623884861.db2.gz SXPXQLKYWBTTCN-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1csc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000891671968 623884870 /nfs/dbraw/zinc/88/48/70/623884870.db2.gz SXPXQLKYWBTTCN-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1csc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000891671968 623884894 /nfs/dbraw/zinc/88/48/94/623884894.db2.gz SXPXQLKYWBTTCN-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128113299 624642914 /nfs/dbraw/zinc/64/29/14/624642914.db2.gz FUXFCHVJYBOSDG-HUUCEWRRSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128113299 624642926 /nfs/dbraw/zinc/64/29/26/624642926.db2.gz FUXFCHVJYBOSDG-HUUCEWRRSA-N 2 2 273.355 2.414 20 30 CEEDLP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000104153790 628380474 /nfs/dbraw/zinc/38/04/74/628380474.db2.gz ZWOWPUWRBULHOG-HOCLYGCPSA-N 2 2 288.439 2.336 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000902446452 634669612 /nfs/dbraw/zinc/66/96/12/634669612.db2.gz OSLGRNKQNIEAFS-MELADBBJSA-N 2 2 290.436 2.415 20 30 CEEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C#N)ccn1 ZINC000902758186 634813051 /nfs/dbraw/zinc/81/30/51/634813051.db2.gz DDPWZHQEJOZILL-CYBMUJFWSA-N 2 2 269.352 2.281 20 30 CEEDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C[NH+](C)C ZINC000926957358 632384603 /nfs/dbraw/zinc/38/46/03/632384603.db2.gz AIHWPRQQTOGPGQ-IUODEOHRSA-N 2 2 293.386 2.315 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000817941994 633789959 /nfs/dbraw/zinc/78/99/59/633789959.db2.gz VLZVZIPLMHETJK-DZGCQCFKSA-N 2 2 258.365 2.101 20 30 CEEDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817972323 633815775 /nfs/dbraw/zinc/81/57/75/633815775.db2.gz KZGGHPQLOSTHON-OLZOCXBDSA-N 2 2 261.369 2.238 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819024269 634044061 /nfs/dbraw/zinc/04/40/61/634044061.db2.gz NBAUCSOSJMJIPX-MRXNPFEDSA-N 2 2 296.361 2.238 20 30 CEEDLP C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](C[NH3+])C1CC1 ZINC000903452823 635136682 /nfs/dbraw/zinc/13/66/82/635136682.db2.gz RSSWQXZFVDRBOS-CQSZACIVSA-N 2 2 263.772 2.381 20 30 CEEDLP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](C[NH3+])C1CC1 ZINC000903452823 635136686 /nfs/dbraw/zinc/13/66/86/635136686.db2.gz RSSWQXZFVDRBOS-CQSZACIVSA-N 2 2 263.772 2.381 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484482 635151902 /nfs/dbraw/zinc/15/19/02/635151902.db2.gz SESYCBVEJKMNFJ-HNNXBMFYSA-N 2 2 255.365 2.323 20 30 CEEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877026505 650536639 /nfs/dbraw/zinc/53/66/39/650536639.db2.gz BHRYALNKTWWDJQ-NSHDSACASA-N 2 2 278.787 2.038 20 30 CEEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877026505 650536642 /nfs/dbraw/zinc/53/66/42/650536642.db2.gz BHRYALNKTWWDJQ-NSHDSACASA-N 2 2 278.787 2.038 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740319 650882371 /nfs/dbraw/zinc/88/23/71/650882371.db2.gz RCNARHGHLYCBNA-CRAIPNDOSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740319 650882375 /nfs/dbraw/zinc/88/23/75/650882375.db2.gz RCNARHGHLYCBNA-CRAIPNDOSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740319 650882378 /nfs/dbraw/zinc/88/23/78/650882378.db2.gz RCNARHGHLYCBNA-CRAIPNDOSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740319 650882380 /nfs/dbraw/zinc/88/23/80/650882380.db2.gz RCNARHGHLYCBNA-CRAIPNDOSA-N 2 2 298.434 2.150 20 30 CEEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N)cc1C ZINC000758106746 644881894 /nfs/dbraw/zinc/88/18/94/644881894.db2.gz JRRARGWGDOGXOY-UHFFFAOYSA-N 2 2 274.412 2.377 20 30 CEEDLP CCN(C)c1ccc(C=[NH+]Nc2cc[nH+]cc2C)cn1 ZINC000863158269 646657093 /nfs/dbraw/zinc/65/70/93/646657093.db2.gz UUPGMBFYLQACNL-UHFFFAOYSA-N 2 2 269.352 2.109 20 30 CEEDLP C[C@@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000863458840 646731275 /nfs/dbraw/zinc/73/12/75/646731275.db2.gz GSDSDIUSSSWQOB-BXUZGUMPSA-N 2 2 261.369 2.041 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872073748 649263857 /nfs/dbraw/zinc/26/38/57/649263857.db2.gz RJBIQPRTCHICNT-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872073748 649263859 /nfs/dbraw/zinc/26/38/59/649263859.db2.gz RJBIQPRTCHICNT-GFCCVEGCSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552313 651128757 /nfs/dbraw/zinc/12/87/57/651128757.db2.gz NMBUUVLQWKQSFU-QGZVFWFLSA-N 2 2 278.440 2.367 20 30 CEEDLP C#CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552313 651128760 /nfs/dbraw/zinc/12/87/60/651128760.db2.gz NMBUUVLQWKQSFU-QGZVFWFLSA-N 2 2 278.440 2.367 20 30 CEEDLP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268697134 804931446 /nfs/dbraw/zinc/93/14/46/804931446.db2.gz HBMSELDWYGNNNA-AWEZNQCLSA-N 2 2 298.390 2.156 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977768 805511768 /nfs/dbraw/zinc/51/17/68/805511768.db2.gz JCDJZISWBPVDOR-KBPBESRZSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977768 805511774 /nfs/dbraw/zinc/51/17/74/805511774.db2.gz JCDJZISWBPVDOR-KBPBESRZSA-N 2 2 292.427 2.039 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699477 810880404 /nfs/dbraw/zinc/88/04/04/810880404.db2.gz OREIRSPNNICDFW-HNNXBMFYSA-N 2 2 298.390 2.057 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699477 810880413 /nfs/dbraw/zinc/88/04/13/810880413.db2.gz OREIRSPNNICDFW-HNNXBMFYSA-N 2 2 298.390 2.057 20 30 CEEDLP C[C@@H](CCCC#N)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172496736 815454215 /nfs/dbraw/zinc/45/42/15/815454215.db2.gz PNNSXTUVTQXLAG-ZDUSSCGKSA-N 2 2 299.378 2.360 20 30 CEEDLP C[C@@H](CCCC#N)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172496736 815454222 /nfs/dbraw/zinc/45/42/22/815454222.db2.gz PNNSXTUVTQXLAG-ZDUSSCGKSA-N 2 2 299.378 2.360 20 30 CEEDLP C=CC[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476690 811615839 /nfs/dbraw/zinc/61/58/39/811615839.db2.gz XZHPBVRUIDQRAF-UHFFFAOYSA-N 2 2 298.390 2.333 20 30 CEEDLP Cc1[nH+]cn([C@H]2CC[C@@H](C#N)C2)c1CSCC[NH3+] ZINC001254643178 812517278 /nfs/dbraw/zinc/51/72/78/812517278.db2.gz NBJATSKWAIYRSS-NEPJUHHUSA-N 2 2 264.398 2.248 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231047 813235647 /nfs/dbraw/zinc/23/56/47/813235647.db2.gz ZCYBAKHVHTXXHX-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071363 813361248 /nfs/dbraw/zinc/36/12/48/813361248.db2.gz FDQDKNSRPBDBFP-CQSZACIVSA-N 2 2 294.443 2.265 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071363 813361255 /nfs/dbraw/zinc/36/12/55/813361255.db2.gz FDQDKNSRPBDBFP-CQSZACIVSA-N 2 2 294.443 2.265 20 30 CEEDLP CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246624148 814222244 /nfs/dbraw/zinc/22/22/44/814222244.db2.gz CGKIELRDXBKIHT-IAGOWNOFSA-N 2 2 298.471 2.426 20 30 CEEDLP CCCCCCC[C@@H](C)[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246624148 814222253 /nfs/dbraw/zinc/22/22/53/814222253.db2.gz CGKIELRDXBKIHT-IAGOWNOFSA-N 2 2 298.471 2.426 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246929548 814430182 /nfs/dbraw/zinc/43/01/82/814430182.db2.gz FVFBUPRWSPLSSZ-MJBXVCDLSA-N 2 2 270.417 2.168 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246929548 814430184 /nfs/dbraw/zinc/43/01/84/814430184.db2.gz FVFBUPRWSPLSSZ-MJBXVCDLSA-N 2 2 270.417 2.168 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881370 816294569 /nfs/dbraw/zinc/29/45/69/816294569.db2.gz ONZVICFJONETQE-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063304 362016296 /nfs/dbraw/zinc/01/62/96/362016296.db2.gz MOUBANURNQPCCW-UHFFFAOYSA-N 2 2 257.337 2.238 20 30 CEEDLP CCNC(NC[C@H](c1ccco1)[NH+]1CCCCC1)=[NH+]CC ZINC000068467041 343765008 /nfs/dbraw/zinc/76/50/08/343765008.db2.gz JWKGCBUHCPCPOG-CQSZACIVSA-N 2 2 292.427 2.382 20 30 CEEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCC1CCC1 ZINC000083819839 344079456 /nfs/dbraw/zinc/07/94/56/344079456.db2.gz XXYCFSUUBGJODI-UHFFFAOYSA-N 2 2 299.422 2.310 20 30 CEEDLP C[NH+]=C(NCC(C)(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179225214 344504781 /nfs/dbraw/zinc/50/47/81/344504781.db2.gz VWLONUITCAUEIS-ZIAGYGMSSA-N 2 2 291.443 2.388 20 30 CEEDLP C[NH+](C)[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCSC1 ZINC000602566678 347081055 /nfs/dbraw/zinc/08/10/55/347081055.db2.gz YNJQKHSNMJEKAW-JXQTWKCFSA-N 2 2 267.442 2.096 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591580008 345266847 /nfs/dbraw/zinc/26/68/47/345266847.db2.gz GBQMYPOHSIQBOE-OFQRWUPVSA-N 2 2 273.355 2.225 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000593968728 345557649 /nfs/dbraw/zinc/55/76/49/345557649.db2.gz YOJBBJJEBRJHRR-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000593968728 345557651 /nfs/dbraw/zinc/55/76/51/345557651.db2.gz YOJBBJJEBRJHRR-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cc1[nH]c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2[nH+]1 ZINC000594429097 345627763 /nfs/dbraw/zinc/62/77/63/345627763.db2.gz QTCCEMVWVDWOOY-GFCCVEGCSA-N 2 2 285.351 2.221 20 30 CEEDLP C[C@@]1(C#N)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000595843098 345896291 /nfs/dbraw/zinc/89/62/91/345896291.db2.gz YPSRMBGZUTVYLQ-SFHVURJKSA-N 2 2 299.418 2.254 20 30 CEEDLP C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000595843098 345896295 /nfs/dbraw/zinc/89/62/95/345896295.db2.gz YPSRMBGZUTVYLQ-SFHVURJKSA-N 2 2 299.418 2.254 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000602594016 347092276 /nfs/dbraw/zinc/09/22/76/347092276.db2.gz OIASMVHRDWOVOI-HUUCEWRRSA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000602594016 347092279 /nfs/dbraw/zinc/09/22/79/347092279.db2.gz OIASMVHRDWOVOI-HUUCEWRRSA-N 2 2 279.428 2.017 20 30 CEEDLP CC(C)(C#N)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474202 346525749 /nfs/dbraw/zinc/52/57/49/346525749.db2.gz KLSLAVQVEZMBIT-UHFFFAOYSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602711800 347165077 /nfs/dbraw/zinc/16/50/77/347165077.db2.gz QZSPLNTUWMFUAL-HZPDHXFCSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602711800 347165079 /nfs/dbraw/zinc/16/50/79/347165079.db2.gz QZSPLNTUWMFUAL-HZPDHXFCSA-N 2 2 279.428 2.113 20 30 CEEDLP N#Cc1ccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000602907107 347243608 /nfs/dbraw/zinc/24/36/08/347243608.db2.gz LGPJBTSDOHLWOR-UHFFFAOYSA-N 2 2 281.363 2.029 20 30 CEEDLP C=CCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617762405 348786075 /nfs/dbraw/zinc/78/60/75/348786075.db2.gz OBGPTGUKWQDXBA-UHFFFAOYSA-N 2 2 295.471 2.123 20 30 CEEDLP C=CCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617762405 348786076 /nfs/dbraw/zinc/78/60/76/348786076.db2.gz OBGPTGUKWQDXBA-UHFFFAOYSA-N 2 2 295.471 2.123 20 30 CEEDLP N#Cc1cccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109792379 186271864 /nfs/dbraw/zinc/27/18/64/186271864.db2.gz POSJIQKYNXKWCN-UHFFFAOYSA-N 2 2 296.374 2.471 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629393779 351348301 /nfs/dbraw/zinc/34/83/01/351348301.db2.gz BWXCWCHWECGOLN-UKRRQHHQSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc(OC)c1O ZINC000629395850 351349533 /nfs/dbraw/zinc/34/95/33/351349533.db2.gz GLPHPVRTQVYHJL-WFASDCNBSA-N 2 2 290.407 2.359 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000072860919 363172716 /nfs/dbraw/zinc/17/27/16/363172716.db2.gz OINSJQSSVHWQCT-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000072860919 363172717 /nfs/dbraw/zinc/17/27/17/363172717.db2.gz OINSJQSSVHWQCT-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000072860919 363172720 /nfs/dbraw/zinc/17/27/20/363172720.db2.gz OINSJQSSVHWQCT-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000072860919 363172722 /nfs/dbraw/zinc/17/27/22/363172722.db2.gz OINSJQSSVHWQCT-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cnn(C)c2)CC1 ZINC000177904944 189078059 /nfs/dbraw/zinc/07/80/59/189078059.db2.gz NYDCTUSVLZDKOK-OAHLLOKOSA-N 2 2 262.401 2.111 20 30 CEEDLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1C#N ZINC000336318050 213160656 /nfs/dbraw/zinc/16/06/56/213160656.db2.gz NNBKXGWCWUSYOI-JKSUJKDBSA-N 2 2 255.365 2.051 20 30 CEEDLP Cc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1C#N ZINC000336318050 213160659 /nfs/dbraw/zinc/16/06/59/213160659.db2.gz NNBKXGWCWUSYOI-JKSUJKDBSA-N 2 2 255.365 2.051 20 30 CEEDLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000182721064 189332488 /nfs/dbraw/zinc/33/24/88/189332488.db2.gz GLRFUIVMWFAOPO-UHFFFAOYSA-N 2 2 298.390 2.293 20 30 CEEDLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000182721064 189332489 /nfs/dbraw/zinc/33/24/89/189332489.db2.gz GLRFUIVMWFAOPO-UHFFFAOYSA-N 2 2 298.390 2.293 20 30 CEEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042793 364132818 /nfs/dbraw/zinc/13/28/18/364132818.db2.gz XOSXCYBQQRQEBU-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042793 364132820 /nfs/dbraw/zinc/13/28/20/364132820.db2.gz XOSXCYBQQRQEBU-MRXNPFEDSA-N 2 2 293.455 2.361 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245754980 370870444 /nfs/dbraw/zinc/87/04/44/370870444.db2.gz ZHFNAUSNGNGQNT-QLFBSQMISA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245754980 370870447 /nfs/dbraw/zinc/87/04/47/370870447.db2.gz ZHFNAUSNGNGQNT-QLFBSQMISA-N 2 2 271.368 2.210 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000174276999 368006516 /nfs/dbraw/zinc/00/65/16/368006516.db2.gz HJQRSKIFOXHAPE-UHFFFAOYSA-N 2 2 296.374 2.300 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)cs1 ZINC000349415323 369322859 /nfs/dbraw/zinc/32/28/59/369322859.db2.gz JBAOCHMMZFSIKV-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)cs1 ZINC000349415323 369322864 /nfs/dbraw/zinc/32/28/64/369322864.db2.gz JBAOCHMMZFSIKV-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192839393 369860528 /nfs/dbraw/zinc/86/05/28/369860528.db2.gz HNXMEFGGOCQZGU-ZDUSSCGKSA-N 2 2 262.401 2.111 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638524903 370590717 /nfs/dbraw/zinc/59/07/17/370590717.db2.gz UYRNHPRGLFGQBG-UHFFFAOYSA-N 2 2 261.369 2.292 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248169077 371167317 /nfs/dbraw/zinc/16/73/17/371167317.db2.gz UJXJPQWECWHXIS-ZMSDIMECSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000248169077 371167321 /nfs/dbraw/zinc/16/73/21/371167321.db2.gz UJXJPQWECWHXIS-ZMSDIMECSA-N 3 2 279.472 2.345 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCOC2)CC1 ZINC000361209662 371715960 /nfs/dbraw/zinc/71/59/60/371715960.db2.gz UEIHNWRGRKHFIY-UKRRQHHQSA-N 2 2 252.402 2.042 20 30 CEEDLP C#CC[NH+](CC#C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000490950826 261263876 /nfs/dbraw/zinc/26/38/76/261263876.db2.gz SSVGTLYXFOUNAB-UHFFFAOYSA-N 2 2 255.346 2.002 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264076468 371963079 /nfs/dbraw/zinc/96/30/79/371963079.db2.gz FXUXHODOKNFCBK-HNNXBMFYSA-N 2 2 276.428 2.254 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000264080925 371964550 /nfs/dbraw/zinc/96/45/50/371964550.db2.gz HISPAAXPMKZJBD-AWEZNQCLSA-N 2 2 294.468 2.397 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000264122907 371974486 /nfs/dbraw/zinc/97/44/86/371974486.db2.gz RHVYNJIGIHORQD-HNNXBMFYSA-N 2 2 274.412 2.136 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264130321 371975666 /nfs/dbraw/zinc/97/56/66/371975666.db2.gz UAIAMHUENDJUES-UHFFFAOYSA-N 2 2 273.384 2.056 20 30 CEEDLP CNC(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)=[NH+]C ZINC000264136168 371977417 /nfs/dbraw/zinc/97/74/17/371977417.db2.gz ZRVAKGPMZSOGCV-CQSZACIVSA-N 2 2 294.830 2.272 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)o1 ZINC000371403244 373869915 /nfs/dbraw/zinc/86/99/15/373869915.db2.gz MIWKMMSRRVPRQA-UHOFOFEASA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)o1 ZINC000371403244 373869921 /nfs/dbraw/zinc/86/99/21/373869921.db2.gz MIWKMMSRRVPRQA-UHOFOFEASA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)o1 ZINC000371403244 373869929 /nfs/dbraw/zinc/86/99/29/373869929.db2.gz MIWKMMSRRVPRQA-UHOFOFEASA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)o1 ZINC000371403244 373869936 /nfs/dbraw/zinc/86/99/36/373869936.db2.gz MIWKMMSRRVPRQA-UHOFOFEASA-N 2 2 271.364 2.067 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684377254 541987618 /nfs/dbraw/zinc/98/76/18/541987618.db2.gz SQJBJJFNDCJKKP-GJZGRUSLSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440827546 377932128 /nfs/dbraw/zinc/93/21/28/377932128.db2.gz RBAYRYQTGXEHLK-UHFFFAOYSA-N 2 2 288.317 2.169 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385631 378207920 /nfs/dbraw/zinc/20/79/20/378207920.db2.gz GMEPTNNHSRFNQD-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385631 378207923 /nfs/dbraw/zinc/20/79/23/378207923.db2.gz GMEPTNNHSRFNQD-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398494 378212909 /nfs/dbraw/zinc/21/29/09/378212909.db2.gz VFKWRVWRNQVGIP-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398494 378212913 /nfs/dbraw/zinc/21/29/13/378212913.db2.gz VFKWRVWRNQVGIP-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281209008 195150452 /nfs/dbraw/zinc/15/04/52/195150452.db2.gz DACQGAOSPSMLCC-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281209008 195150453 /nfs/dbraw/zinc/15/04/53/195150453.db2.gz DACQGAOSPSMLCC-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000048711372 394524191 /nfs/dbraw/zinc/52/41/91/394524191.db2.gz VZXWJJUHKMWAQD-UHFFFAOYSA-N 2 2 289.342 2.429 20 30 CEEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000330260415 394600557 /nfs/dbraw/zinc/60/05/57/394600557.db2.gz SPCQVEQXMCVHAG-UKRRQHHQSA-N 2 2 288.395 2.029 20 30 CEEDLP C[NH+]=C(NCC1CCC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977938 394610940 /nfs/dbraw/zinc/61/09/40/394610940.db2.gz OEJHRTRCICFLMK-UKRRQHHQSA-N 2 2 289.427 2.142 20 30 CEEDLP Cc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)c(C#N)c[nH+]1 ZINC000333617869 394649683 /nfs/dbraw/zinc/64/96/83/394649683.db2.gz SXWNUZGWLWGIKF-AWEZNQCLSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1F ZINC000423392640 394912816 /nfs/dbraw/zinc/91/28/16/394912816.db2.gz XXDACDRAWXUZOG-NTZNESFSSA-N 2 2 261.344 2.488 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352555 394994629 /nfs/dbraw/zinc/99/46/29/394994629.db2.gz JMVDRLXKXZQQIC-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352555 394994632 /nfs/dbraw/zinc/99/46/32/394994632.db2.gz JMVDRLXKXZQQIC-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152352555 394994638 /nfs/dbraw/zinc/99/46/38/394994638.db2.gz JMVDRLXKXZQQIC-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152352555 394994643 /nfs/dbraw/zinc/99/46/43/394994643.db2.gz JMVDRLXKXZQQIC-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C#CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000285650544 394962438 /nfs/dbraw/zinc/96/24/38/394962438.db2.gz LRNDWPPXLPVIAW-UHFFFAOYSA-N 2 2 253.349 2.409 20 30 CEEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000285650544 394962441 /nfs/dbraw/zinc/96/24/41/394962441.db2.gz LRNDWPPXLPVIAW-UHFFFAOYSA-N 2 2 253.349 2.409 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000373187138 395056161 /nfs/dbraw/zinc/05/61/61/395056161.db2.gz KHWHAHZKVOFKFW-LTIDMASMSA-N 2 2 291.439 2.159 20 30 CEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374307565 395080843 /nfs/dbraw/zinc/08/08/43/395080843.db2.gz SWQADWONNRMLFR-INIZCTEOSA-N 2 2 298.434 2.423 20 30 CEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374307565 395080847 /nfs/dbraw/zinc/08/08/47/395080847.db2.gz SWQADWONNRMLFR-INIZCTEOSA-N 2 2 298.434 2.423 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000289911261 395090498 /nfs/dbraw/zinc/09/04/98/395090498.db2.gz XYJKYGZMCPXMMK-IBGZPJMESA-N 2 2 298.430 2.212 20 30 CEEDLP C=CCOCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000293425929 395234499 /nfs/dbraw/zinc/23/44/99/395234499.db2.gz ARUCNPVYKGXGFG-UHFFFAOYSA-N 2 2 266.385 2.236 20 30 CEEDLP C=CCOCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000293425929 395234503 /nfs/dbraw/zinc/23/45/03/395234503.db2.gz ARUCNPVYKGXGFG-UHFFFAOYSA-N 2 2 266.385 2.236 20 30 CEEDLP C=CCOCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000293425929 395234508 /nfs/dbraw/zinc/23/45/08/395234508.db2.gz ARUCNPVYKGXGFG-UHFFFAOYSA-N 2 2 266.385 2.236 20 30 CEEDLP C=CCOCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000293425929 395234511 /nfs/dbraw/zinc/23/45/11/395234511.db2.gz ARUCNPVYKGXGFG-UHFFFAOYSA-N 2 2 266.385 2.236 20 30 CEEDLP CC#CC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000293121354 395219470 /nfs/dbraw/zinc/21/94/70/395219470.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293121354 395219477 /nfs/dbraw/zinc/21/94/77/395219477.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000293121354 395219480 /nfs/dbraw/zinc/21/94/80/395219480.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 2 2 286.419 2.233 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218457 395455257 /nfs/dbraw/zinc/45/52/57/395455257.db2.gz WDXVIAKIOJMURZ-HZPDHXFCSA-N 2 2 267.376 2.420 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218459 395455309 /nfs/dbraw/zinc/45/53/09/395455309.db2.gz WDXVIAKIOJMURZ-JKSUJKDBSA-N 2 2 267.376 2.420 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccncc2F)CC1 ZINC000449121383 395545487 /nfs/dbraw/zinc/54/54/87/395545487.db2.gz HJNVPEILEDUKJM-UHFFFAOYSA-N 2 2 263.360 2.351 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000572992347 395597559 /nfs/dbraw/zinc/59/75/59/395597559.db2.gz GUMOISFUTNWOEK-CQSZACIVSA-N 2 2 279.347 2.405 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647956040 395784077 /nfs/dbraw/zinc/78/40/77/395784077.db2.gz VQEAXYKOSRCZIZ-KRWDZBQOSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647956040 395784079 /nfs/dbraw/zinc/78/40/79/395784079.db2.gz VQEAXYKOSRCZIZ-KRWDZBQOSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647956040 395784081 /nfs/dbraw/zinc/78/40/81/395784081.db2.gz VQEAXYKOSRCZIZ-KRWDZBQOSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647956040 395784083 /nfs/dbraw/zinc/78/40/83/395784083.db2.gz VQEAXYKOSRCZIZ-KRWDZBQOSA-N 2 2 276.424 2.376 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CCC)CC1 ZINC000657353359 414881254 /nfs/dbraw/zinc/88/12/54/414881254.db2.gz QSFGCZLLTFCFDM-UHFFFAOYSA-N 2 2 276.428 2.423 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000663498952 414971998 /nfs/dbraw/zinc/97/19/98/414971998.db2.gz VUUABTQANZYVDS-UHFFFAOYSA-N 2 2 288.391 2.102 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nccn2CC)CC1 ZINC000297787958 260133947 /nfs/dbraw/zinc/13/39/47/260133947.db2.gz PWLSGDJYXUSNJJ-CYBMUJFWSA-N 2 2 262.401 2.204 20 30 CEEDLP CCNC(NCc1ccccc1Cn1cc[nH+]c1)=[NH+]CC ZINC000264151970 262880807 /nfs/dbraw/zinc/88/08/07/262880807.db2.gz ZLFZXWCJFROVRV-UHFFFAOYSA-N 2 2 285.395 2.006 20 30 CEEDLP CCc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000273388493 263016499 /nfs/dbraw/zinc/01/64/99/263016499.db2.gz ZLZOBEAGOSFKNP-MRXNPFEDSA-N 2 2 288.439 2.261 20 30 CEEDLP COCC1(C#N)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000341982461 263369635 /nfs/dbraw/zinc/36/96/35/263369635.db2.gz APPKRENZXGKFHN-UHFFFAOYSA-N 2 2 279.428 2.115 20 30 CEEDLP C#CCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515401 267867563 /nfs/dbraw/zinc/86/75/63/267867563.db2.gz RPZHZAAJYQFBDQ-WFASDCNBSA-N 2 2 277.437 2.275 20 30 CEEDLP C#CCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515401 267867561 /nfs/dbraw/zinc/86/75/61/267867561.db2.gz RPZHZAAJYQFBDQ-WFASDCNBSA-N 2 2 277.437 2.275 20 30 CEEDLP N#CC1(c2ccccn2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000376596671 267998891 /nfs/dbraw/zinc/99/88/91/267998891.db2.gz WMDNHJNBQYLETQ-UHFFFAOYSA-N 2 2 295.390 2.226 20 30 CEEDLP CCc1ccccc1[C@@H]([NH3+])CNc1cc(C)[nH+]cc1C#N ZINC000424415303 271052048 /nfs/dbraw/zinc/05/20/48/271052048.db2.gz SDCSDWAPUHUJCM-INIZCTEOSA-N 2 2 280.375 2.358 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249281929 280390771 /nfs/dbraw/zinc/39/07/71/280390771.db2.gz NUGPNIRIWNTVPQ-WBVHZDCISA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249281929 280390773 /nfs/dbraw/zinc/39/07/73/280390773.db2.gz NUGPNIRIWNTVPQ-WBVHZDCISA-N 2 2 299.418 2.273 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148236 /nfs/dbraw/zinc/14/82/36/289148236.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148238 /nfs/dbraw/zinc/14/82/38/289148238.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148239 /nfs/dbraw/zinc/14/82/39/289148239.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148240 /nfs/dbraw/zinc/14/82/40/289148240.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000536066616 298193095 /nfs/dbraw/zinc/19/30/95/298193095.db2.gz GKOXDEREDRVPGU-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000536066616 298193097 /nfs/dbraw/zinc/19/30/97/298193097.db2.gz GKOXDEREDRVPGU-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414923067 328267930 /nfs/dbraw/zinc/26/79/30/328267930.db2.gz GWOKVCDMHNOFFK-BBRMVZONSA-N 2 2 260.381 2.339 20 30 CEEDLP CC(C)(C#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000168935374 327493640 /nfs/dbraw/zinc/49/36/40/327493640.db2.gz IRQLJOFHWCKTJN-UHFFFAOYSA-N 2 2 258.369 2.190 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000177385069 329186086 /nfs/dbraw/zinc/18/60/86/329186086.db2.gz QPSLQWPHLLWMEC-KRWDZBQOSA-N 2 2 256.393 2.306 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000177385069 329186088 /nfs/dbraw/zinc/18/60/88/329186088.db2.gz QPSLQWPHLLWMEC-KRWDZBQOSA-N 2 2 256.393 2.306 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453362808 331122885 /nfs/dbraw/zinc/12/28/85/331122885.db2.gz PPQQPTQASFAJHJ-RANZSIQMSA-N 2 2 286.419 2.440 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453362808 331122886 /nfs/dbraw/zinc/12/28/86/331122886.db2.gz PPQQPTQASFAJHJ-RANZSIQMSA-N 2 2 286.419 2.440 20 30 CEEDLP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000459726318 331296032 /nfs/dbraw/zinc/29/60/32/331296032.db2.gz DZNDRARYDRCJNL-UHFFFAOYSA-N 2 2 266.414 2.234 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000491326363 332190433 /nfs/dbraw/zinc/19/04/33/332190433.db2.gz MJYXTTQSSCWAKK-HNNXBMFYSA-N 2 2 259.397 2.468 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000491326363 332190435 /nfs/dbraw/zinc/19/04/35/332190435.db2.gz MJYXTTQSSCWAKK-HNNXBMFYSA-N 2 2 259.397 2.468 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)cc1 ZINC000491765430 332333892 /nfs/dbraw/zinc/33/38/92/332333892.db2.gz BWYUULUXKOJYQJ-QGZVFWFLSA-N 2 2 290.382 2.200 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344370821 526952601 /nfs/dbraw/zinc/95/26/01/526952601.db2.gz NONNSPPEDNKIAI-ZFWWWQNUSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000344370821 526952603 /nfs/dbraw/zinc/95/26/03/526952603.db2.gz NONNSPPEDNKIAI-ZFWWWQNUSA-N 2 2 260.381 2.291 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000736075076 574775451 /nfs/dbraw/zinc/77/54/51/574775451.db2.gz WZVTUKDJUQRCPR-HNNXBMFYSA-N 2 2 294.358 2.113 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000736075076 574775452 /nfs/dbraw/zinc/77/54/52/574775452.db2.gz WZVTUKDJUQRCPR-HNNXBMFYSA-N 2 2 294.358 2.113 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902730693 634799095 /nfs/dbraw/zinc/79/90/95/634799095.db2.gz FSXDIGHZUAUGOD-GFCCVEGCSA-N 2 2 270.380 2.231 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC000986542479 631256485 /nfs/dbraw/zinc/25/64/85/631256485.db2.gz GQFUKUOISRXYBM-KGLIPLIRSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CCCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817932590 633785958 /nfs/dbraw/zinc/78/59/58/633785958.db2.gz UZEQKQAGTVUVOG-HOTGVXAUSA-N 2 2 266.429 2.480 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902819477 634841432 /nfs/dbraw/zinc/84/14/32/634841432.db2.gz UTKJVGBLPVKJLV-DYEKYZERSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902819477 634841435 /nfs/dbraw/zinc/84/14/35/634841435.db2.gz UTKJVGBLPVKJLV-DYEKYZERSA-N 2 2 258.369 2.087 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903177290 634999918 /nfs/dbraw/zinc/99/99/18/634999918.db2.gz JYCLHXWJPJDMND-HNNXBMFYSA-N 2 2 288.439 2.289 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903177290 634999921 /nfs/dbraw/zinc/99/99/21/634999921.db2.gz JYCLHXWJPJDMND-HNNXBMFYSA-N 2 2 288.439 2.289 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000903421562 635123003 /nfs/dbraw/zinc/12/30/03/635123003.db2.gz OMELLFMXQFDCRI-NSHDSACASA-N 2 2 263.772 2.382 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000903421562 635123005 /nfs/dbraw/zinc/12/30/05/635123005.db2.gz OMELLFMXQFDCRI-NSHDSACASA-N 2 2 263.772 2.382 20 30 CEEDLP C[C@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000863458843 646731200 /nfs/dbraw/zinc/73/12/00/646731200.db2.gz GSDSDIUSSSWQOB-SMDDNHRTSA-N 2 2 261.369 2.041 20 30 CEEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000778150805 647205206 /nfs/dbraw/zinc/20/52/06/647205206.db2.gz FOGQIFREAFGAPQ-UHFFFAOYSA-N 2 2 289.766 2.338 20 30 CEEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783299446 647707227 /nfs/dbraw/zinc/70/72/27/647707227.db2.gz CIUPCNYXNAWRLL-UHFFFAOYSA-N 2 2 272.396 2.306 20 30 CEEDLP C=C(Cl)C[C@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000871787325 649185937 /nfs/dbraw/zinc/18/59/37/649185937.db2.gz VHHLRWQEMLKVHX-BDAKNGLRSA-N 2 2 258.753 2.258 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C#N ZINC000879578809 651325686 /nfs/dbraw/zinc/32/56/86/651325686.db2.gz HFEZSKKVRXRALD-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N ZINC000879578809 651325688 /nfs/dbraw/zinc/32/56/88/651325688.db2.gz HFEZSKKVRXRALD-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C#N ZINC000879578809 651325690 /nfs/dbraw/zinc/32/56/90/651325690.db2.gz HFEZSKKVRXRALD-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C#N ZINC000879578809 651325691 /nfs/dbraw/zinc/32/56/91/651325691.db2.gz HFEZSKKVRXRALD-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP C#CCCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001209266966 802491635 /nfs/dbraw/zinc/49/16/35/802491635.db2.gz HGIGNUWMJCKPCQ-UHFFFAOYSA-N 2 2 299.418 2.166 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429320 802802769 /nfs/dbraw/zinc/80/27/69/802802769.db2.gz RPGPLVJUOZTXOR-HUUCEWRRSA-N 2 2 292.427 2.285 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448357 805342741 /nfs/dbraw/zinc/34/27/41/805342741.db2.gz SVKIGGQHFWHJBM-UHFFFAOYSA-N 2 2 280.416 2.019 20 30 CEEDLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000709896524 809975334 /nfs/dbraw/zinc/97/53/34/809975334.db2.gz HVRRFXNUGSXDQM-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP C[C@H](CCCC#N)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001172500064 815455179 /nfs/dbraw/zinc/45/51/79/815455179.db2.gz JILQDMKWYRPUKC-MRXNPFEDSA-N 3 2 282.476 2.274 20 30 CEEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623898 811850100 /nfs/dbraw/zinc/85/01/00/811850100.db2.gz QSARECURAOQZJL-CYBMUJFWSA-N 2 2 292.427 2.053 20 30 CEEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623898 811850110 /nfs/dbraw/zinc/85/01/10/811850110.db2.gz QSARECURAOQZJL-CYBMUJFWSA-N 2 2 292.427 2.053 20 30 CEEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037419 813356804 /nfs/dbraw/zinc/35/68/04/813356804.db2.gz IZJLHQPRFMNONL-GXTWGEPZSA-N 2 2 287.407 2.127 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136035309 813591325 /nfs/dbraw/zinc/59/13/25/813591325.db2.gz MTDCALQEUQKXES-OLZOCXBDSA-N 2 2 292.427 2.100 20 30 CEEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246240876 813749186 /nfs/dbraw/zinc/74/91/86/813749186.db2.gz RPRXRKMCGSUUNM-QLFBSQMISA-N 2 2 256.434 2.438 20 30 CEEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144086416 813947505 /nfs/dbraw/zinc/94/75/05/813947505.db2.gz SBTIHWHFOONDHO-INIZCTEOSA-N 2 2 294.358 2.310 20 30 CEEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144086416 813947508 /nfs/dbraw/zinc/94/75/08/813947508.db2.gz SBTIHWHFOONDHO-INIZCTEOSA-N 2 2 294.358 2.310 20 30 CEEDLP C=CCOC1CCC(n2c[nH+]c(C)c2CC[NH3+])CC1 ZINC001173312979 815664745 /nfs/dbraw/zinc/66/47/45/815664745.db2.gz OXKFQPRJUOUZPT-UHFFFAOYSA-N 2 2 263.385 2.379 20 30 CEEDLP C=CCOc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668537550 539192612 /nfs/dbraw/zinc/19/26/12/539192612.db2.gz IYNHVBAPHYSWPP-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP C=CCOc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668537550 539192614 /nfs/dbraw/zinc/19/26/14/539192614.db2.gz IYNHVBAPHYSWPP-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2CC)CC1 ZINC000092390586 539231585 /nfs/dbraw/zinc/23/15/85/539231585.db2.gz ZRTBPFPTQUFDBZ-UHFFFAOYSA-N 2 2 276.428 2.113 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000602455580 347040561 /nfs/dbraw/zinc/04/05/61/347040561.db2.gz UHGPNPVNGHMQII-GFCCVEGCSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000602455580 347040562 /nfs/dbraw/zinc/04/05/62/347040562.db2.gz UHGPNPVNGHMQII-GFCCVEGCSA-N 2 2 267.336 2.056 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470814 347045613 /nfs/dbraw/zinc/04/56/13/347045613.db2.gz IBIVKOYUBPUQKG-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470814 347045616 /nfs/dbraw/zinc/04/56/16/347045616.db2.gz IBIVKOYUBPUQKG-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470814 347045618 /nfs/dbraw/zinc/04/56/18/347045618.db2.gz IBIVKOYUBPUQKG-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470814 347045619 /nfs/dbraw/zinc/04/56/19/347045619.db2.gz IBIVKOYUBPUQKG-XJKSGUPXSA-N 2 2 272.396 2.258 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000602473558 347047389 /nfs/dbraw/zinc/04/73/89/347047389.db2.gz AZJUZMTVAMKTFL-OAHLLOKOSA-N 2 2 284.407 2.261 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000602473558 347047392 /nfs/dbraw/zinc/04/73/92/347047392.db2.gz AZJUZMTVAMKTFL-OAHLLOKOSA-N 2 2 284.407 2.261 20 30 CEEDLP COC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593184193 345450448 /nfs/dbraw/zinc/45/04/48/345450448.db2.gz YUMSVCWYDMUXFL-CQSZACIVSA-N 2 2 287.407 2.147 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000594504399 345639652 /nfs/dbraw/zinc/63/96/52/345639652.db2.gz MJNHHBWEAIEJJA-KDOFPFPSSA-N 2 2 299.418 2.462 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595393565 345773739 /nfs/dbraw/zinc/77/37/39/345773739.db2.gz RXLCPCHWJVGMEZ-INIZCTEOSA-N 2 2 280.375 2.324 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595393565 345773743 /nfs/dbraw/zinc/77/37/43/345773743.db2.gz RXLCPCHWJVGMEZ-INIZCTEOSA-N 2 2 280.375 2.324 20 30 CEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1C#N)C2 ZINC000595508474 345799127 /nfs/dbraw/zinc/79/91/27/345799127.db2.gz XRJHLOKEGSGWFN-GOSISDBHSA-N 2 2 299.418 2.355 20 30 CEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1C#N)C2 ZINC000595508474 345799129 /nfs/dbraw/zinc/79/91/29/345799129.db2.gz XRJHLOKEGSGWFN-GOSISDBHSA-N 2 2 299.418 2.355 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1C#N)C2 ZINC000595508474 345799132 /nfs/dbraw/zinc/79/91/32/345799132.db2.gz XRJHLOKEGSGWFN-GOSISDBHSA-N 2 2 299.418 2.355 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000595508474 345799134 /nfs/dbraw/zinc/79/91/34/345799134.db2.gz XRJHLOKEGSGWFN-GOSISDBHSA-N 2 2 299.418 2.355 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595870167 345902181 /nfs/dbraw/zinc/90/21/81/345902181.db2.gz YFEDWIMMYBYPNJ-RDTXWAMCSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595870167 345902183 /nfs/dbraw/zinc/90/21/83/345902183.db2.gz YFEDWIMMYBYPNJ-RDTXWAMCSA-N 2 2 299.418 2.150 20 30 CEEDLP Cc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000596558309 346054792 /nfs/dbraw/zinc/05/47/92/346054792.db2.gz QEXJUSNYBDWHHM-KRWDZBQOSA-N 2 2 292.386 2.370 20 30 CEEDLP Cc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000596558309 346054795 /nfs/dbraw/zinc/05/47/95/346054795.db2.gz QEXJUSNYBDWHHM-KRWDZBQOSA-N 2 2 292.386 2.370 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000597247861 346161621 /nfs/dbraw/zinc/16/16/21/346161621.db2.gz GMIGNFIHKTWZRM-AWEZNQCLSA-N 2 2 293.436 2.162 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000597247861 346161625 /nfs/dbraw/zinc/16/16/25/346161625.db2.gz GMIGNFIHKTWZRM-AWEZNQCLSA-N 2 2 293.436 2.162 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](CC3(CC#N)CC3)CC2)c1 ZINC000602783854 347197105 /nfs/dbraw/zinc/19/71/05/347197105.db2.gz GSKYGNVNXWSQMW-UHFFFAOYSA-N 2 2 270.380 2.206 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748960 349232278 /nfs/dbraw/zinc/23/22/78/349232278.db2.gz ZLRQYUPXORWABM-QMTHXVAHSA-N 2 2 263.772 2.251 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748960 349232279 /nfs/dbraw/zinc/23/22/79/349232279.db2.gz ZLRQYUPXORWABM-QMTHXVAHSA-N 2 2 263.772 2.251 20 30 CEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108368205 186214083 /nfs/dbraw/zinc/21/40/83/186214083.db2.gz XDLCFAQPLFVYPW-HNNXBMFYSA-N 2 2 293.455 2.038 20 30 CEEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccco1 ZINC000629525523 351390648 /nfs/dbraw/zinc/39/06/48/351390648.db2.gz VPBANKSIESPGSN-ZDUSSCGKSA-N 2 2 264.369 2.384 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123418699 187090388 /nfs/dbraw/zinc/09/03/88/187090388.db2.gz WRHFVWZPCAHATD-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123418699 187090389 /nfs/dbraw/zinc/09/03/89/187090389.db2.gz WRHFVWZPCAHATD-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418699 187090390 /nfs/dbraw/zinc/09/03/90/187090390.db2.gz WRHFVWZPCAHATD-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418699 187090391 /nfs/dbraw/zinc/09/03/91/187090391.db2.gz WRHFVWZPCAHATD-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337531257 366158875 /nfs/dbraw/zinc/15/88/75/366158875.db2.gz VHAVCGDZVQVSQN-GDBMZVCRSA-N 2 2 266.429 2.432 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000113514031 364902095 /nfs/dbraw/zinc/90/20/95/364902095.db2.gz ZGUAEAMHBDMUNT-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000113514031 364902097 /nfs/dbraw/zinc/90/20/97/364902097.db2.gz ZGUAEAMHBDMUNT-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NC1CCCCC1 ZINC000170905231 367443751 /nfs/dbraw/zinc/44/37/51/367443751.db2.gz BTXXVQSPMCLZDT-UHFFFAOYSA-N 2 2 275.400 2.121 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000181537563 368467852 /nfs/dbraw/zinc/46/78/52/368467852.db2.gz VUDGZJPEUQRJQL-UHFFFAOYSA-N 2 2 299.418 2.291 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nccn2C)CC1 ZINC000182870656 368596968 /nfs/dbraw/zinc/59/69/68/368596968.db2.gz LTOUPVFKDVKFHY-CYBMUJFWSA-N 2 2 262.401 2.111 20 30 CEEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2ccc(C#N)cn12 ZINC000349411751 369322276 /nfs/dbraw/zinc/32/22/76/369322276.db2.gz AQQCURHJNBBKDU-UHFFFAOYSA-N 2 2 299.422 2.370 20 30 CEEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2ccc(C#N)cn12 ZINC000349411751 369322282 /nfs/dbraw/zinc/32/22/82/369322282.db2.gz AQQCURHJNBBKDU-UHFFFAOYSA-N 2 2 299.422 2.370 20 30 CEEDLP CC[C@H](CC#N)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000358302563 371002009 /nfs/dbraw/zinc/00/20/09/371002009.db2.gz RUIIWWFSTGISCM-CQSZACIVSA-N 2 2 269.352 2.358 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000264080830 371964609 /nfs/dbraw/zinc/96/46/09/371964609.db2.gz HDVGUVZLRPBGAE-FZMZJTMJSA-N 2 2 280.391 2.131 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccco1 ZINC000264121723 371973796 /nfs/dbraw/zinc/97/37/96/371973796.db2.gz VGDDELNBBUPBTD-GFCCVEGCSA-N 2 2 280.416 2.365 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367123906 373139394 /nfs/dbraw/zinc/13/93/94/373139394.db2.gz ZQJABOMZNRIYGY-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367123906 373139399 /nfs/dbraw/zinc/13/93/99/373139399.db2.gz ZQJABOMZNRIYGY-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421326070 376793694 /nfs/dbraw/zinc/79/36/94/376793694.db2.gz NFTPTRBHPTXPSQ-UHFFFAOYSA-N 2 2 273.355 2.437 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527168 376820354 /nfs/dbraw/zinc/82/03/54/376820354.db2.gz QJBBPWMKJJKXBE-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527168 376820358 /nfs/dbraw/zinc/82/03/58/376820358.db2.gz QJBBPWMKJJKXBE-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000290527168 376820365 /nfs/dbraw/zinc/82/03/65/376820365.db2.gz QJBBPWMKJJKXBE-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290527168 376820371 /nfs/dbraw/zinc/82/03/71/376820371.db2.gz QJBBPWMKJJKXBE-RISCZKNCSA-N 2 2 263.410 2.392 20 30 CEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)[nH+]c2)C1 ZINC000562463466 376902307 /nfs/dbraw/zinc/90/23/07/376902307.db2.gz OEXHBJBIFXOCEF-IIAWOOMASA-N 2 2 299.422 2.326 20 30 CEEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+](C2CC2)CC1 ZINC000328711678 376882431 /nfs/dbraw/zinc/88/24/31/376882431.db2.gz CARZGBIIYMAYOM-GFCCVEGCSA-N 2 2 288.395 2.098 20 30 CEEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+](C2CC2)CC1 ZINC000328711678 376882447 /nfs/dbraw/zinc/88/24/47/376882447.db2.gz CARZGBIIYMAYOM-GFCCVEGCSA-N 2 2 288.395 2.098 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329306310 376941860 /nfs/dbraw/zinc/94/18/60/376941860.db2.gz YQBAYWJJMXSUGK-LBPRGKRZSA-N 2 2 276.384 2.316 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329306310 376941866 /nfs/dbraw/zinc/94/18/66/376941866.db2.gz YQBAYWJJMXSUGK-LBPRGKRZSA-N 2 2 276.384 2.316 20 30 CEEDLP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000292707407 377264281 /nfs/dbraw/zinc/26/42/81/377264281.db2.gz GLLFITRQZULRJR-UHFFFAOYSA-N 2 2 258.369 2.029 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000292707407 377264292 /nfs/dbraw/zinc/26/42/92/377264292.db2.gz GLLFITRQZULRJR-UHFFFAOYSA-N 2 2 258.369 2.029 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000292796163 377285797 /nfs/dbraw/zinc/28/57/97/377285797.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000292796163 377285801 /nfs/dbraw/zinc/28/58/01/377285801.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC000292796163 377285804 /nfs/dbraw/zinc/28/58/04/377285804.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000292796163 377285810 /nfs/dbraw/zinc/28/58/10/377285810.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268131193 190379495 /nfs/dbraw/zinc/37/94/95/190379495.db2.gz PUYOQLQWOSVDIM-BLLLJJGKSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268131193 190379496 /nfs/dbraw/zinc/37/94/96/190379496.db2.gz PUYOQLQWOSVDIM-BLLLJJGKSA-N 2 2 255.365 2.131 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000335301566 208141125 /nfs/dbraw/zinc/14/11/25/208141125.db2.gz PFHUWZYSYWYQOY-CQSZACIVSA-N 2 2 266.348 2.237 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1C#N ZINC000335301566 208141129 /nfs/dbraw/zinc/14/11/29/208141129.db2.gz PFHUWZYSYWYQOY-CQSZACIVSA-N 2 2 266.348 2.237 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000305688202 394508924 /nfs/dbraw/zinc/50/89/24/394508924.db2.gz PKGVBQPVQHHCBU-CABCVRRESA-N 2 2 277.412 2.002 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000305688202 394508928 /nfs/dbraw/zinc/50/89/28/394508928.db2.gz PKGVBQPVQHHCBU-CABCVRRESA-N 2 2 277.412 2.002 20 30 CEEDLP Cc1ccc([C@@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C)cc1 ZINC000104176086 394718443 /nfs/dbraw/zinc/71/84/43/394718443.db2.gz ONGHEBANGUQZNS-OAHLLOKOSA-N 2 2 276.428 2.158 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341883541 395008221 /nfs/dbraw/zinc/00/82/21/395008221.db2.gz FGYZACHJQHAPEC-CSMYWGQOSA-N 2 2 269.392 2.475 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341883541 395008224 /nfs/dbraw/zinc/00/82/24/395008224.db2.gz FGYZACHJQHAPEC-CSMYWGQOSA-N 2 2 269.392 2.475 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000491741050 395670663 /nfs/dbraw/zinc/67/06/63/395670663.db2.gz VKKXXNURSRWYFV-CYBMUJFWSA-N 2 2 273.355 2.303 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000651720223 401378068 /nfs/dbraw/zinc/37/80/68/401378068.db2.gz UBXGMYQIYNZRPM-BZUAXINKSA-N 2 2 266.429 2.289 20 30 CEEDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000020506291 171228147 /nfs/dbraw/zinc/22/81/47/171228147.db2.gz KWELSJAQHGXBDC-ZDUSSCGKSA-N 2 2 254.337 2.496 20 30 CEEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)nn1 ZINC000657304616 414845231 /nfs/dbraw/zinc/84/52/31/414845231.db2.gz OHPPSXPSBVIUDU-UHFFFAOYSA-N 2 2 291.443 2.064 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687213 175231734 /nfs/dbraw/zinc/23/17/34/175231734.db2.gz NOARUWQBFARPJK-WFASDCNBSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687213 175231735 /nfs/dbraw/zinc/23/17/35/175231735.db2.gz NOARUWQBFARPJK-WFASDCNBSA-N 2 2 255.365 2.446 20 30 CEEDLP N#Cc1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000356062159 228105460 /nfs/dbraw/zinc/10/54/60/228105460.db2.gz KKFFUHABVZWEGW-UHFFFAOYSA-N 2 2 273.365 2.117 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354330768 260240817 /nfs/dbraw/zinc/24/08/17/260240817.db2.gz PINBYIMPFOJWSE-SQWLQELKSA-N 2 2 294.439 2.204 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000373339832 262365089 /nfs/dbraw/zinc/36/50/89/262365089.db2.gz HMMATPDCNLQXCZ-MRXNPFEDSA-N 2 2 265.360 2.277 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368464374 267172980 /nfs/dbraw/zinc/17/29/80/267172980.db2.gz AHDNOTDAZGZFOB-MRVWCRGKSA-N 2 2 272.820 2.218 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368464374 267172982 /nfs/dbraw/zinc/17/29/82/267172982.db2.gz AHDNOTDAZGZFOB-MRVWCRGKSA-N 2 2 272.820 2.218 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423131207 267221436 /nfs/dbraw/zinc/22/14/36/267221436.db2.gz ZSZVGTXWDSYNIT-GJZGRUSLSA-N 2 2 273.380 2.187 20 30 CEEDLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]cc1C#N ZINC000425236676 271144055 /nfs/dbraw/zinc/14/40/55/271144055.db2.gz QUEVCWOFNZMTHZ-UHFFFAOYSA-N 2 2 269.352 2.081 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684197 278372885 /nfs/dbraw/zinc/37/28/85/278372885.db2.gz RZXBOYJGOLJLCW-IUODEOHRSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684197 278372888 /nfs/dbraw/zinc/37/28/88/278372888.db2.gz RZXBOYJGOLJLCW-IUODEOHRSA-N 2 2 255.365 2.446 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154296903 289140651 /nfs/dbraw/zinc/14/06/51/289140651.db2.gz QCIADVPPKSSGCV-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154296903 289140652 /nfs/dbraw/zinc/14/06/52/289140652.db2.gz QCIADVPPKSSGCV-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154296903 289140653 /nfs/dbraw/zinc/14/06/53/289140653.db2.gz QCIADVPPKSSGCV-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154296903 289140654 /nfs/dbraw/zinc/14/06/54/289140654.db2.gz QCIADVPPKSSGCV-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@@H+](C)CC ZINC000566419265 327355011 /nfs/dbraw/zinc/35/50/11/327355011.db2.gz REUQQVXCJMFURZ-CYBMUJFWSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@H+](C)CC ZINC000566419265 327355013 /nfs/dbraw/zinc/35/50/13/327355013.db2.gz REUQQVXCJMFURZ-CYBMUJFWSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@H](O)C[NH+](C)CC ZINC000566419265 327355014 /nfs/dbraw/zinc/35/50/14/327355014.db2.gz REUQQVXCJMFURZ-CYBMUJFWSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@H](O)C[NH+](C)CC ZINC000566419265 327355016 /nfs/dbraw/zinc/35/50/16/327355016.db2.gz REUQQVXCJMFURZ-CYBMUJFWSA-N 2 2 268.426 2.049 20 30 CEEDLP C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172654894 329136148 /nfs/dbraw/zinc/13/61/48/329136148.db2.gz UNJPADWYIBXLFY-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000172654894 329136150 /nfs/dbraw/zinc/13/61/50/329136150.db2.gz UNJPADWYIBXLFY-INIZCTEOSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422983459 330162676 /nfs/dbraw/zinc/16/26/76/330162676.db2.gz ZOQAQIIQSZANDJ-CYBMUJFWSA-N 3 2 274.412 2.185 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506486 330208912 /nfs/dbraw/zinc/20/89/12/330208912.db2.gz HUVGGQJSEJLODK-MXASKKJJSA-N 2 2 269.392 2.414 20 30 CEEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+]1CCOCC1 ZINC000449166014 330902923 /nfs/dbraw/zinc/90/29/23/330902923.db2.gz YUADYHBLQSVEGM-FHERZECASA-N 2 2 279.428 2.017 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449548571 330935727 /nfs/dbraw/zinc/93/57/27/330935727.db2.gz OPXRBQLAYDRYDF-KGLIPLIRSA-N 2 2 257.337 2.158 20 30 CEEDLP CCCCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000749797638 575234695 /nfs/dbraw/zinc/23/46/95/575234695.db2.gz SNMXNRXFQUVSBD-UHFFFAOYSA-N 2 2 283.460 2.053 20 30 CEEDLP C=CCCCCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000310660138 625795696 /nfs/dbraw/zinc/79/56/96/625795696.db2.gz FOFONEDVOROZQS-LSDHHAIUSA-N 2 2 254.418 2.480 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000328034574 627768632 /nfs/dbraw/zinc/76/86/32/627768632.db2.gz WAMBFUPXJRNXFH-UKRRQHHQSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000328034574 627768636 /nfs/dbraw/zinc/76/86/36/627768636.db2.gz WAMBFUPXJRNXFH-UKRRQHHQSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1Br ZINC000328128496 627859284 /nfs/dbraw/zinc/85/92/84/627859284.db2.gz VHSQDGVVNXOQJE-UHFFFAOYSA-N 2 2 295.224 2.494 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1Br ZINC000328128496 627859286 /nfs/dbraw/zinc/85/92/86/627859286.db2.gz VHSQDGVVNXOQJE-UHFFFAOYSA-N 2 2 295.224 2.494 20 30 CEEDLP CCc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+](C)C)cc1 ZINC000104155503 628387275 /nfs/dbraw/zinc/38/72/75/628387275.db2.gz WADOSGJJVXKCAQ-HNNXBMFYSA-N 2 2 276.428 2.164 20 30 CEEDLP N#C[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154749 628977446 /nfs/dbraw/zinc/97/74/46/628977446.db2.gz ZTNFVUSWKULBTK-HZPDHXFCSA-N 2 2 274.412 2.238 20 30 CEEDLP N#C[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154749 628977450 /nfs/dbraw/zinc/97/74/50/628977450.db2.gz ZTNFVUSWKULBTK-HZPDHXFCSA-N 2 2 274.412 2.238 20 30 CEEDLP C#CC[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000895807156 630356636 /nfs/dbraw/zinc/35/66/36/630356636.db2.gz LAMPKVYRIYVTQU-UHFFFAOYSA-N 2 2 254.337 2.072 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C#N)ccn1 ZINC000902753783 634810671 /nfs/dbraw/zinc/81/06/71/634810671.db2.gz STWMGGGNVMITOR-NWANDNLSSA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C#N)ccn1 ZINC000902753783 634810677 /nfs/dbraw/zinc/81/06/77/634810677.db2.gz STWMGGGNVMITOR-NWANDNLSSA-N 2 2 270.380 2.231 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799938 635276775 /nfs/dbraw/zinc/27/67/75/635276775.db2.gz FPAYINDIAOHMTM-JKSUJKDBSA-N 2 2 255.365 2.262 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799938 635276778 /nfs/dbraw/zinc/27/67/78/635276778.db2.gz FPAYINDIAOHMTM-JKSUJKDBSA-N 2 2 255.365 2.262 20 30 CEEDLP CC(C)(C)NC(NCCCCn1cc[nH+]c1)=[NH+]C1CC1 ZINC000912507190 638712887 /nfs/dbraw/zinc/71/28/87/638712887.db2.gz XCWTYPQQVOEEAQ-UHFFFAOYSA-N 2 2 277.416 2.159 20 30 CEEDLP c1cn(CCCN[NH+]=C2CCCNc3ccccc32)c[nH+]1 ZINC000848416909 641984887 /nfs/dbraw/zinc/98/48/87/641984887.db2.gz CPVHCWQGPGYNON-UHFFFAOYSA-N 2 2 283.379 2.473 20 30 CEEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000921507768 642039107 /nfs/dbraw/zinc/03/91/07/642039107.db2.gz KRIYRKHVJRJLDG-UHFFFAOYSA-N 2 2 261.394 2.336 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000849026990 642240169 /nfs/dbraw/zinc/24/01/69/642240169.db2.gz RQOUBDPDPPQZFN-OLZOCXBDSA-N 2 2 278.400 2.399 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCO1 ZINC000775340827 646942597 /nfs/dbraw/zinc/94/25/97/646942597.db2.gz IKSCXKVODIBARR-CABCVRRESA-N 2 2 287.388 2.204 20 30 CEEDLP C[C@H](C#N)OCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951712 651364423 /nfs/dbraw/zinc/36/44/23/651364423.db2.gz NPOOSGVJCGSDIN-OAHLLOKOSA-N 2 2 279.428 2.255 20 30 CEEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267049062 803078392 /nfs/dbraw/zinc/07/83/92/803078392.db2.gz AZXROVPUWZNAOA-OAHLLOKOSA-N 2 2 287.407 2.245 20 30 CEEDLP C=CCC[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267134390 803154515 /nfs/dbraw/zinc/15/45/15/803154515.db2.gz GMBAXFZOLZIBNJ-GFCCVEGCSA-N 2 2 286.379 2.237 20 30 CEEDLP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267809982 803747770 /nfs/dbraw/zinc/74/77/70/803747770.db2.gz XCEKQBBPARZHEV-ZDUSSCGKSA-N 2 2 286.379 2.237 20 30 CEEDLP C=CCc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235163522 807786191 /nfs/dbraw/zinc/78/61/91/807786191.db2.gz XXDIVNIVIYUACX-GOEBONIOSA-N 2 2 258.365 2.044 20 30 CEEDLP C=CCc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235163522 807786197 /nfs/dbraw/zinc/78/61/97/807786197.db2.gz XXDIVNIVIYUACX-GOEBONIOSA-N 2 2 258.365 2.044 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001172290456 815382529 /nfs/dbraw/zinc/38/25/29/815382529.db2.gz BOLYCZIJVAMKBC-CQSZACIVSA-N 2 2 257.381 2.175 20 30 CEEDLP C=C(C)CCc1ccccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073779 811362955 /nfs/dbraw/zinc/36/29/55/811362955.db2.gz LAQREGXYOLYTRI-OAHLLOKOSA-N 2 2 285.391 2.243 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206182557 815541834 /nfs/dbraw/zinc/54/18/34/815541834.db2.gz BHKXBWOSBLBPGN-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206182557 815541837 /nfs/dbraw/zinc/54/18/37/815541837.db2.gz BHKXBWOSBLBPGN-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP C=C[C@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001116643451 814871680 /nfs/dbraw/zinc/87/16/80/814871680.db2.gz OXPKZIKYKNLCTK-CQSZACIVSA-N 2 2 257.337 2.163 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350815 816399746 /nfs/dbraw/zinc/39/97/46/816399746.db2.gz LBSUJFZDDQZYLO-CYBMUJFWSA-N 2 2 292.427 2.101 20 30 CEEDLP CCCCCCCCCCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161226031 816809661 /nfs/dbraw/zinc/80/96/61/816809661.db2.gz BUGJOBBRUZSVQS-CABCVRRESA-N 2 2 283.460 2.275 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(C#N)cc1 ZINC000124335610 187133307 /nfs/dbraw/zinc/13/33/07/187133307.db2.gz FDIBYDHXEWVTOY-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(C#N)cc1 ZINC000124335610 187133308 /nfs/dbraw/zinc/13/33/08/187133308.db2.gz FDIBYDHXEWVTOY-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP C=CCOc1ccccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668537451 539192244 /nfs/dbraw/zinc/19/22/44/539192244.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668537451 539192245 /nfs/dbraw/zinc/19/22/45/539192245.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 2 2 260.381 2.245 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000677133203 539190053 /nfs/dbraw/zinc/19/00/53/539190053.db2.gz MTIRCXBIYXYKBX-KRWDZBQOSA-N 2 2 278.440 2.224 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000677133203 539190054 /nfs/dbraw/zinc/19/00/54/539190054.db2.gz MTIRCXBIYXYKBX-KRWDZBQOSA-N 2 2 278.440 2.224 20 30 CEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC(C)C ZINC000072614145 343807584 /nfs/dbraw/zinc/80/75/84/343807584.db2.gz XUHXDJSCKGCJAT-LBPRGKRZSA-N 2 2 294.468 2.068 20 30 CEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC(C)C ZINC000072614145 343807586 /nfs/dbraw/zinc/80/75/86/343807586.db2.gz XUHXDJSCKGCJAT-LBPRGKRZSA-N 2 2 294.468 2.068 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000602483936 347055214 /nfs/dbraw/zinc/05/52/14/347055214.db2.gz KHJJMYWPIPJFKI-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000602483936 347055219 /nfs/dbraw/zinc/05/52/19/347055219.db2.gz KHJJMYWPIPJFKI-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C=CCC[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000320320405 344751828 /nfs/dbraw/zinc/75/18/28/344751828.db2.gz XCQRLYCOLAFOKH-HNNXBMFYSA-N 2 2 271.364 2.289 20 30 CEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573281 345265236 /nfs/dbraw/zinc/26/52/36/345265236.db2.gz FPHKLMXFNCJBGL-RISCZKNCSA-N 2 2 293.798 2.068 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591577793 345265899 /nfs/dbraw/zinc/26/58/99/345265899.db2.gz GXLUKFXFEFMODT-SMDDNHRTSA-N 2 2 261.344 2.490 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@@H+]1C1CC1 ZINC000592371144 345346963 /nfs/dbraw/zinc/34/69/63/345346963.db2.gz RLVZFUKIJLGSAS-BBRMVZONSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@H+]1C1CC1 ZINC000592371144 345346964 /nfs/dbraw/zinc/34/69/64/345346964.db2.gz RLVZFUKIJLGSAS-BBRMVZONSA-N 2 2 269.392 2.467 20 30 CEEDLP COCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C#N)cc1 ZINC000596983906 346112958 /nfs/dbraw/zinc/11/29/58/346112958.db2.gz JEDBIPPOSLKKMS-UHFFFAOYSA-N 2 2 298.390 2.249 20 30 CEEDLP COCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C#N)cc1 ZINC000596983906 346112960 /nfs/dbraw/zinc/11/29/60/346112960.db2.gz JEDBIPPOSLKKMS-UHFFFAOYSA-N 2 2 298.390 2.249 20 30 CEEDLP N#CC1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000602655295 347125775 /nfs/dbraw/zinc/12/57/75/347125775.db2.gz UEBVCKVTUVCOJJ-UHFFFAOYSA-N 2 2 258.369 2.391 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878128 347234894 /nfs/dbraw/zinc/23/48/94/347234894.db2.gz VYZGGPBEBPNXOC-PBHICJAKSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878128 347234895 /nfs/dbraw/zinc/23/48/95/347234895.db2.gz VYZGGPBEBPNXOC-PBHICJAKSA-N 2 2 287.407 2.008 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000629406240 351353326 /nfs/dbraw/zinc/35/33/26/351353326.db2.gz LCSROPPNDQCWSF-GXTWGEPZSA-N 2 2 276.380 2.100 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683543 364213821 /nfs/dbraw/zinc/21/38/21/364213821.db2.gz WTOGRHSOMYPZOK-CQSZACIVSA-N 2 2 273.380 2.459 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683543 364213823 /nfs/dbraw/zinc/21/38/23/364213823.db2.gz WTOGRHSOMYPZOK-CQSZACIVSA-N 2 2 273.380 2.459 20 30 CEEDLP C=CCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000117881633 365130412 /nfs/dbraw/zinc/13/04/12/365130412.db2.gz ALCYCUIJCHEXJP-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000117881633 365130416 /nfs/dbraw/zinc/13/04/16/365130416.db2.gz ALCYCUIJCHEXJP-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936237 365183296 /nfs/dbraw/zinc/18/32/96/365183296.db2.gz HPKGHRKRHAULCJ-IUODEOHRSA-N 2 2 255.365 2.087 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936237 365183298 /nfs/dbraw/zinc/18/32/98/365183298.db2.gz HPKGHRKRHAULCJ-IUODEOHRSA-N 2 2 255.365 2.087 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124916 365444318 /nfs/dbraw/zinc/44/43/18/365444318.db2.gz KNNIIDGUXKARAE-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124916 365444321 /nfs/dbraw/zinc/44/43/21/365444321.db2.gz KNNIIDGUXKARAE-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124916 365444326 /nfs/dbraw/zinc/44/43/26/365444326.db2.gz KNNIIDGUXKARAE-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336124916 365444329 /nfs/dbraw/zinc/44/43/29/365444329.db2.gz KNNIIDGUXKARAE-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120921529 365495085 /nfs/dbraw/zinc/49/50/85/365495085.db2.gz DEHNVJBSTLAWFD-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120921529 365495089 /nfs/dbraw/zinc/49/50/89/365495089.db2.gz DEHNVJBSTLAWFD-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972667 366985260 /nfs/dbraw/zinc/98/52/60/366985260.db2.gz OBHJQLYZMKZFKE-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972667 366985265 /nfs/dbraw/zinc/98/52/65/366985265.db2.gz OBHJQLYZMKZFKE-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972667 366985269 /nfs/dbraw/zinc/98/52/69/366985269.db2.gz OBHJQLYZMKZFKE-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972667 366985275 /nfs/dbraw/zinc/98/52/75/366985275.db2.gz OBHJQLYZMKZFKE-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487712 367354053 /nfs/dbraw/zinc/35/40/53/367354053.db2.gz PMGFZISFWVLZHJ-XJKSGUPXSA-N 2 2 257.381 2.031 20 30 CEEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487712 367354056 /nfs/dbraw/zinc/35/40/56/367354056.db2.gz PMGFZISFWVLZHJ-XJKSGUPXSA-N 2 2 257.381 2.031 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512779 367855017 /nfs/dbraw/zinc/85/50/17/367855017.db2.gz NLEADTOFOUPVIQ-GUYCJALGSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512779 367855024 /nfs/dbraw/zinc/85/50/24/367855024.db2.gz NLEADTOFOUPVIQ-GUYCJALGSA-N 2 2 269.392 2.173 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246157219 370917426 /nfs/dbraw/zinc/91/74/26/370917426.db2.gz BZADXDPEBQABTK-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246157219 370917430 /nfs/dbraw/zinc/91/74/30/370917430.db2.gz BZADXDPEBQABTK-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246157219 370917434 /nfs/dbraw/zinc/91/74/34/370917434.db2.gz BZADXDPEBQABTK-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246157219 370917439 /nfs/dbraw/zinc/91/74/39/370917439.db2.gz BZADXDPEBQABTK-DOTOQJQBSA-N 2 2 299.418 2.483 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000236660017 370603962 /nfs/dbraw/zinc/60/39/62/370603962.db2.gz XDFKWIWZOGIZIY-UHFFFAOYSA-N 2 2 255.365 2.298 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)ns2)CC1 ZINC000638523729 370590314 /nfs/dbraw/zinc/59/03/14/370590314.db2.gz DXWMXPMOHZUCIG-UHFFFAOYSA-N 2 2 251.399 2.192 20 30 CEEDLP CC1CCN(C(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000264063830 371959294 /nfs/dbraw/zinc/95/92/94/371959294.db2.gz AJCGIVGXMBRBFL-UHFFFAOYSA-N 2 2 297.406 2.419 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920757 374450045 /nfs/dbraw/zinc/45/00/45/374450045.db2.gz GZYKBNCQVIMOIS-HNNXBMFYSA-N 2 2 299.418 2.243 20 30 CEEDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920757 374450048 /nfs/dbraw/zinc/45/00/48/374450048.db2.gz GZYKBNCQVIMOIS-HNNXBMFYSA-N 2 2 299.418 2.243 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000556745592 376476794 /nfs/dbraw/zinc/47/67/94/376476794.db2.gz BFPIAOFKCPJYSH-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000556745592 376476801 /nfs/dbraw/zinc/47/68/01/376476801.db2.gz BFPIAOFKCPJYSH-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC000264415499 190108230 /nfs/dbraw/zinc/10/82/30/190108230.db2.gz VESYCYVQZHQYQD-UHFFFAOYSA-N 2 2 294.468 2.339 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1C ZINC000420284215 376682243 /nfs/dbraw/zinc/68/22/43/376682243.db2.gz CUQJZUJFOUSUDA-UHFFFAOYSA-N 2 2 291.439 2.390 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1C ZINC000420284215 376682251 /nfs/dbraw/zinc/68/22/51/376682251.db2.gz CUQJZUJFOUSUDA-UHFFFAOYSA-N 2 2 291.439 2.390 20 30 CEEDLP C=CC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681392 377808417 /nfs/dbraw/zinc/80/84/17/377808417.db2.gz IIMOJHGJGLTJOF-CQSZACIVSA-N 2 2 274.412 2.033 20 30 CEEDLP C=CC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681392 377808427 /nfs/dbraw/zinc/80/84/27/377808427.db2.gz IIMOJHGJGLTJOF-CQSZACIVSA-N 2 2 274.412 2.033 20 30 CEEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449696611 378221772 /nfs/dbraw/zinc/22/17/72/378221772.db2.gz ILDNIOQUTQKUBK-CYBMUJFWSA-N 2 2 259.353 2.059 20 30 CEEDLP N#C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516494323 379288065 /nfs/dbraw/zinc/28/80/65/379288065.db2.gz HCTJFPMGBPHNEE-KCQAQPDRSA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516494323 379288075 /nfs/dbraw/zinc/28/80/75/379288075.db2.gz HCTJFPMGBPHNEE-KCQAQPDRSA-N 2 2 257.337 2.227 20 30 CEEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)cc2F)CC1 ZINC000267157995 190307564 /nfs/dbraw/zinc/30/75/64/190307564.db2.gz DZEWPBITQYRVGL-UHFFFAOYSA-N 2 2 290.386 2.135 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132462 190379666 /nfs/dbraw/zinc/37/96/66/190379666.db2.gz PUYOQLQWOSVDIM-MLGOLLRUSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000268132462 190379667 /nfs/dbraw/zinc/37/96/67/190379667.db2.gz PUYOQLQWOSVDIM-MLGOLLRUSA-N 2 2 255.365 2.131 20 30 CEEDLP CC1(C#N)CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000333818419 380156032 /nfs/dbraw/zinc/15/60/32/380156032.db2.gz KLYOLGAJTJGUNS-UHFFFAOYSA-N 2 2 299.422 2.376 20 30 CEEDLP C[N@@H+](CC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820898 135077644 /nfs/dbraw/zinc/07/76/44/135077644.db2.gz BEDINUUGKJTIFK-UHFFFAOYSA-N 2 2 258.369 2.143 20 30 CEEDLP C[N@H+](CC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820898 135077648 /nfs/dbraw/zinc/07/76/48/135077648.db2.gz BEDINUUGKJTIFK-UHFFFAOYSA-N 2 2 258.369 2.143 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000104176117 394718813 /nfs/dbraw/zinc/71/88/13/394718813.db2.gz GDFYNACNIHZZJP-OAHLLOKOSA-N 2 2 274.412 2.078 20 30 CEEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359515841 394759600 /nfs/dbraw/zinc/75/96/00/394759600.db2.gz PAUSHYXXJFHBGG-CVEARBPZSA-N 2 2 266.429 2.385 20 30 CEEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359515841 394759602 /nfs/dbraw/zinc/75/96/02/394759602.db2.gz PAUSHYXXJFHBGG-CVEARBPZSA-N 2 2 266.429 2.385 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000375876418 395102563 /nfs/dbraw/zinc/10/25/63/395102563.db2.gz QKYRBQZXQPCHMY-DZGCQCFKSA-N 2 2 281.363 2.439 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208430 395188312 /nfs/dbraw/zinc/18/83/12/395188312.db2.gz SYDREDLVUJZYDM-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208430 395188317 /nfs/dbraw/zinc/18/83/17/395188317.db2.gz SYDREDLVUJZYDM-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208430 395188320 /nfs/dbraw/zinc/18/83/20/395188320.db2.gz SYDREDLVUJZYDM-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292208430 395188326 /nfs/dbraw/zinc/18/83/26/395188326.db2.gz SYDREDLVUJZYDM-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+](CCC1(C#N)CCCCC1)C1CC[NH+](CCO)CC1 ZINC000411245650 395323104 /nfs/dbraw/zinc/32/31/04/395323104.db2.gz YEXCPRJKRYHZAA-UHFFFAOYSA-N 2 2 293.455 2.239 20 30 CEEDLP C[N@@H+](CCC1(C#N)CCCCC1)C1CC[NH+](CCO)CC1 ZINC000411245650 395323106 /nfs/dbraw/zinc/32/31/06/395323106.db2.gz YEXCPRJKRYHZAA-UHFFFAOYSA-N 2 2 293.455 2.239 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442708583 395391016 /nfs/dbraw/zinc/39/10/16/395391016.db2.gz JSXQPONMBWCERU-CRAIPNDOSA-N 2 2 299.418 2.301 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1C#N ZINC000371292701 156643405 /nfs/dbraw/zinc/64/34/05/156643405.db2.gz DCWRWGUUZQZHNL-KZNAEPCWSA-N 2 2 299.418 2.242 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C#N ZINC000371292701 156643409 /nfs/dbraw/zinc/64/34/09/156643409.db2.gz DCWRWGUUZQZHNL-KZNAEPCWSA-N 2 2 299.418 2.242 20 30 CEEDLP CC(C)(C#N)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119973576 262263408 /nfs/dbraw/zinc/26/34/08/262263408.db2.gz OVXGVPVPGOGIPB-AWEZNQCLSA-N 2 2 259.353 2.475 20 30 CEEDLP CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119973576 262263409 /nfs/dbraw/zinc/26/34/09/262263409.db2.gz OVXGVPVPGOGIPB-AWEZNQCLSA-N 2 2 259.353 2.475 20 30 CEEDLP CC#CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000293121351 263138173 /nfs/dbraw/zinc/13/81/73/263138173.db2.gz MHQMBRLJKRPZHG-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000293121351 263138174 /nfs/dbraw/zinc/13/81/74/263138174.db2.gz MHQMBRLJKRPZHG-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293121351 263138175 /nfs/dbraw/zinc/13/81/75/263138175.db2.gz MHQMBRLJKRPZHG-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000293121351 263138176 /nfs/dbraw/zinc/13/81/76/263138176.db2.gz MHQMBRLJKRPZHG-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368464372 267174665 /nfs/dbraw/zinc/17/46/65/267174665.db2.gz AHDNOTDAZGZFOB-IACUBPJLSA-N 2 2 272.820 2.218 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368464372 267174666 /nfs/dbraw/zinc/17/46/66/267174666.db2.gz AHDNOTDAZGZFOB-IACUBPJLSA-N 2 2 272.820 2.218 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368464373 267174880 /nfs/dbraw/zinc/17/48/80/267174880.db2.gz AHDNOTDAZGZFOB-KWCYVHTRSA-N 2 2 272.820 2.218 20 30 CEEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368464373 267174884 /nfs/dbraw/zinc/17/48/84/267174884.db2.gz AHDNOTDAZGZFOB-KWCYVHTRSA-N 2 2 272.820 2.218 20 30 CEEDLP C[C@@H]1CN(c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374254954 274362454 /nfs/dbraw/zinc/36/24/54/274362454.db2.gz HPHQIWOPPXPJQI-OAHLLOKOSA-N 2 2 298.434 2.163 20 30 CEEDLP C[C@@H]1CN(c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374254954 274362455 /nfs/dbraw/zinc/36/24/55/274362455.db2.gz HPHQIWOPPXPJQI-OAHLLOKOSA-N 2 2 298.434 2.163 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348111245 275427588 /nfs/dbraw/zinc/42/75/88/275427588.db2.gz OLRTUFQHCOQLTJ-CHWSQXEVSA-N 2 2 292.345 2.336 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154297099 289140677 /nfs/dbraw/zinc/14/06/77/289140677.db2.gz QCIADVPPKSSGCV-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000154297099 289140678 /nfs/dbraw/zinc/14/06/78/289140678.db2.gz QCIADVPPKSSGCV-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154297099 289140679 /nfs/dbraw/zinc/14/06/79/289140679.db2.gz QCIADVPPKSSGCV-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154297099 289140680 /nfs/dbraw/zinc/14/06/80/289140680.db2.gz QCIADVPPKSSGCV-BBRMVZONSA-N 2 2 287.407 2.481 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCSCC#N ZINC000177328085 329186285 /nfs/dbraw/zinc/18/62/85/329186285.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 2 2 267.442 2.192 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSCC#N ZINC000177328085 329186287 /nfs/dbraw/zinc/18/62/87/329186287.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 2 2 267.442 2.192 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000377550792 329018722 /nfs/dbraw/zinc/01/87/22/329018722.db2.gz RUGZTXZAYGHPMZ-RBUKOAKNSA-N 2 2 298.430 2.258 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000378547068 329054678 /nfs/dbraw/zinc/05/46/78/329054678.db2.gz RPWMHQAHPITRIW-NVXWUHKLSA-N 2 2 289.423 2.084 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000378547068 329054680 /nfs/dbraw/zinc/05/46/80/329054680.db2.gz RPWMHQAHPITRIW-NVXWUHKLSA-N 2 2 289.423 2.084 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCC#N ZINC000177328085 329186282 /nfs/dbraw/zinc/18/62/82/329186282.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 2 2 267.442 2.192 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCC#N ZINC000177328085 329186283 /nfs/dbraw/zinc/18/62/83/329186283.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 2 2 267.442 2.192 20 30 CEEDLP CC(C)Oc1ccc(NC(=[NH2+])NCc2c[nH+]cn2C)cc1 ZINC000262393505 330012419 /nfs/dbraw/zinc/01/24/19/330012419.db2.gz RZGVDMHHDPKNQU-UHFFFAOYSA-N 2 2 287.367 2.134 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857287 330157810 /nfs/dbraw/zinc/15/78/10/330157810.db2.gz GQMDDUCSNBXIKS-YESZJQIVSA-N 3 2 277.456 2.147 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422976145 330162244 /nfs/dbraw/zinc/16/22/44/330162244.db2.gz HTNKMHVOMHPHHP-HZPDHXFCSA-N 3 2 265.445 2.277 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000423497416 330207930 /nfs/dbraw/zinc/20/79/30/330207930.db2.gz YTJXADVWJXXVJV-UONOGXRCSA-N 2 2 264.369 2.255 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453258567 331108433 /nfs/dbraw/zinc/10/84/33/331108433.db2.gz HVDFQBMMYRHBJS-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453258567 331108434 /nfs/dbraw/zinc/10/84/34/331108434.db2.gz HVDFQBMMYRHBJS-CVEARBPZSA-N 2 2 266.429 2.168 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](CCCSCC#N)CC2)c1 ZINC000166188746 331306829 /nfs/dbraw/zinc/30/68/29/331306829.db2.gz RAMWNEYKSOGCRU-UHFFFAOYSA-N 2 2 290.436 2.159 20 30 CEEDLP C=C[C@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@@H]1C=C ZINC000489499650 332056972 /nfs/dbraw/zinc/05/69/72/332056972.db2.gz SQRPKTNJZIZFIY-HOTGVXAUSA-N 2 2 278.440 2.428 20 30 CEEDLP C=CCOCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000348023550 526754061 /nfs/dbraw/zinc/75/40/61/526754061.db2.gz BCWPCWKJACKOEL-OAHLLOKOSA-N 2 2 263.385 2.249 20 30 CEEDLP C=CCOCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000348023550 526754066 /nfs/dbraw/zinc/75/40/66/526754066.db2.gz BCWPCWKJACKOEL-OAHLLOKOSA-N 2 2 263.385 2.249 20 30 CEEDLP CCC(CC)C[N@H+](CCC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000749117986 575206128 /nfs/dbraw/zinc/20/61/28/575206128.db2.gz UYWPNJBOSMQXJL-MRXNPFEDSA-N 2 2 281.444 2.095 20 30 CEEDLP CCC(CC)C[N@@H+](CCC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000749117986 575206130 /nfs/dbraw/zinc/20/61/30/575206130.db2.gz UYWPNJBOSMQXJL-MRXNPFEDSA-N 2 2 281.444 2.095 20 30 CEEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978499126 613835359 /nfs/dbraw/zinc/83/53/59/613835359.db2.gz GTMKJASIGCUCDD-PHZGNYQRSA-N 2 2 299.418 2.100 20 30 CEEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC000978499126 613835360 /nfs/dbraw/zinc/83/53/60/613835360.db2.gz GTMKJASIGCUCDD-PHZGNYQRSA-N 2 2 299.418 2.100 20 30 CEEDLP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469226 624515403 /nfs/dbraw/zinc/51/54/03/624515403.db2.gz REJMSICNKWEQAK-ZWKOTPCHSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469226 624515410 /nfs/dbraw/zinc/51/54/10/624515410.db2.gz REJMSICNKWEQAK-ZWKOTPCHSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000934469226 624515414 /nfs/dbraw/zinc/51/54/14/624515414.db2.gz REJMSICNKWEQAK-ZWKOTPCHSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000934469226 624515421 /nfs/dbraw/zinc/51/54/21/624515421.db2.gz REJMSICNKWEQAK-ZWKOTPCHSA-N 2 2 286.419 2.056 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926488865 624922245 /nfs/dbraw/zinc/92/22/45/624922245.db2.gz AYWMMDAOFIOYMH-CQSZACIVSA-N 2 2 277.799 2.267 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926488865 624922248 /nfs/dbraw/zinc/92/22/48/624922248.db2.gz AYWMMDAOFIOYMH-CQSZACIVSA-N 2 2 277.799 2.267 20 30 CEEDLP C#CCC[NH+]1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000798391529 630863931 /nfs/dbraw/zinc/86/39/31/630863931.db2.gz GQDMUZXTYOCDMB-UHFFFAOYSA-N 2 2 263.772 2.189 20 30 CEEDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C[NH+](C)C ZINC000926957357 632384065 /nfs/dbraw/zinc/38/40/65/632384065.db2.gz AIHWPRQQTOGPGQ-DOMZBBRYSA-N 2 2 293.386 2.315 20 30 CEEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000817934651 633787098 /nfs/dbraw/zinc/78/70/98/633787098.db2.gz MGWMVLDZTXBGSG-NSHDSACASA-N 2 2 254.761 2.427 20 30 CEEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000817942297 633790542 /nfs/dbraw/zinc/79/05/42/633790542.db2.gz NRNWCCIIGMZACO-YSVLISHTSA-N 2 2 286.423 2.424 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819024268 634043487 /nfs/dbraw/zinc/04/34/87/634043487.db2.gz NBAUCSOSJMJIPX-INIZCTEOSA-N 2 2 296.361 2.238 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C)CC1 ZINC000819024384 634044141 /nfs/dbraw/zinc/04/41/41/634044141.db2.gz PILIZYNCFNYKQG-QGZVFWFLSA-N 2 2 274.408 2.268 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810950 635284657 /nfs/dbraw/zinc/28/46/57/635284657.db2.gz IEBAAEYHAAFUPZ-MRXNPFEDSA-N 2 2 284.407 2.437 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810950 635284660 /nfs/dbraw/zinc/28/46/60/635284660.db2.gz IEBAAEYHAAFUPZ-MRXNPFEDSA-N 2 2 284.407 2.437 20 30 CEEDLP C=CCNC(NCCCCn1cc[nH+]c1)=[NH+]C(C)(C)C ZINC000912497026 638706140 /nfs/dbraw/zinc/70/61/40/638706140.db2.gz LYJDHUVQXJIBKP-UHFFFAOYSA-N 2 2 277.416 2.183 20 30 CEEDLP N#Cc1cnc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000876959413 650506183 /nfs/dbraw/zinc/50/61/83/650506183.db2.gz SDGZUHMDSQSYDC-UHFFFAOYSA-N 2 2 289.770 2.373 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000877154693 650599911 /nfs/dbraw/zinc/59/99/11/650599911.db2.gz XDWAUEKULUVVJR-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000877154693 650599916 /nfs/dbraw/zinc/59/99/16/650599916.db2.gz XDWAUEKULUVVJR-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP C=CC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000999144666 642461179 /nfs/dbraw/zinc/46/11/79/642461179.db2.gz DXDMCTNSOSHOTO-UHFFFAOYSA-N 2 2 287.407 2.385 20 30 CEEDLP CCO[C@@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)C[NH+](C)C ZINC000922752164 643241758 /nfs/dbraw/zinc/24/17/58/643241758.db2.gz ABHBVWURBDFBGH-INIZCTEOSA-N 2 2 289.423 2.231 20 30 CEEDLP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000866315108 647733333 /nfs/dbraw/zinc/73/33/33/647733333.db2.gz QPICKFZOSNCDDX-LBPRGKRZSA-N 2 2 271.364 2.176 20 30 CEEDLP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000866315108 647733337 /nfs/dbraw/zinc/73/33/37/647733337.db2.gz QPICKFZOSNCDDX-LBPRGKRZSA-N 2 2 271.364 2.176 20 30 CEEDLP C=C(Br)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000125151446 649818468 /nfs/dbraw/zinc/81/84/68/649818468.db2.gz QSRUKCXNZPSHGU-UHFFFAOYSA-N 2 2 261.207 2.357 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000128134284 651374950 /nfs/dbraw/zinc/37/49/50/651374950.db2.gz BWOBGTIPPNPBNI-FZMZJTMJSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000128134284 651374952 /nfs/dbraw/zinc/37/49/52/651374952.db2.gz BWOBGTIPPNPBNI-FZMZJTMJSA-N 2 2 261.344 2.270 20 30 CEEDLP C=C(C)CC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773704 808129178 /nfs/dbraw/zinc/12/91/78/808129178.db2.gz YMZCWQWRZTYTGH-UHFFFAOYSA-N 2 2 298.390 2.191 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001172309090 815364663 /nfs/dbraw/zinc/36/46/63/815364663.db2.gz QOIGTIQMLHQUOT-CYBMUJFWSA-N 2 2 268.364 2.055 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001044678670 811523105 /nfs/dbraw/zinc/52/31/05/811523105.db2.gz XXIBJSRRRHRMLE-ZIAGYGMSSA-N 2 2 298.390 2.103 20 30 CEEDLP C=C(C)CC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001125 812524422 /nfs/dbraw/zinc/52/44/22/812524422.db2.gz CZSKQRTYWRIKTP-OAHLLOKOSA-N 2 2 292.427 2.142 20 30 CEEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]C[C@H]3F)C[C@H](C1)C2 ZINC001246084515 813676667 /nfs/dbraw/zinc/67/66/67/813676667.db2.gz FPEPCOWVYYPYKK-WQGXVZNYSA-N 2 2 252.377 2.411 20 30 CEEDLP C=CCC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160534388 814013645 /nfs/dbraw/zinc/01/36/45/814013645.db2.gz JOONPUNGBUEYRZ-HNNXBMFYSA-N 2 2 292.427 2.142 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601324 815758559 /nfs/dbraw/zinc/75/85/59/815758559.db2.gz QSPGQXUWNUOODQ-CIDNJEQPSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601324 815758561 /nfs/dbraw/zinc/75/85/61/815758561.db2.gz QSPGQXUWNUOODQ-CIDNJEQPSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601324 815758563 /nfs/dbraw/zinc/75/85/63/815758563.db2.gz QSPGQXUWNUOODQ-CIDNJEQPSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601324 815758564 /nfs/dbraw/zinc/75/85/64/815758564.db2.gz QSPGQXUWNUOODQ-CIDNJEQPSA-N 2 2 261.413 2.485 20 30 CEEDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(C#N)c3)C[C@H]2C1 ZINC001139727470 816096393 /nfs/dbraw/zinc/09/63/93/816096393.db2.gz RUIBPHQEVBIWOU-IAGOWNOFSA-N 2 2 269.392 2.250 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000030909715 343406312 /nfs/dbraw/zinc/40/63/12/343406312.db2.gz SRWVKUYEOIFSGR-OAHLLOKOSA-N 2 2 297.406 2.411 20 30 CEEDLP CCNC(NC[C@H](c1cccc(F)c1)[NH+](C)C)=[NH+]CC ZINC000066242776 343709641 /nfs/dbraw/zinc/70/96/41/343709641.db2.gz QBDSTSYKTGRHSW-CQSZACIVSA-N 2 2 280.391 2.003 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374310 344765370 /nfs/dbraw/zinc/76/53/70/344765370.db2.gz RPFRRPNYMYEDBN-ZFWWWQNUSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000336374310 344765372 /nfs/dbraw/zinc/76/53/72/344765372.db2.gz RPFRRPNYMYEDBN-ZFWWWQNUSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000336374310 344765374 /nfs/dbraw/zinc/76/53/74/344765374.db2.gz RPFRRPNYMYEDBN-ZFWWWQNUSA-N 2 2 259.397 2.239 20 30 CEEDLP N#CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000336374310 344765376 /nfs/dbraw/zinc/76/53/76/344765376.db2.gz RPFRRPNYMYEDBN-ZFWWWQNUSA-N 2 2 259.397 2.239 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000602567827 347081449 /nfs/dbraw/zinc/08/14/49/347081449.db2.gz GVPZZMVSZAVREN-IIAWOOMASA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000602567827 347081454 /nfs/dbraw/zinc/08/14/54/347081454.db2.gz GVPZZMVSZAVREN-IIAWOOMASA-N 2 2 291.439 2.158 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(F)c1 ZINC000591570858 345264813 /nfs/dbraw/zinc/26/48/13/345264813.db2.gz XTYQBDPYEACHGI-GJZGRUSLSA-N 2 2 261.344 2.447 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000591573332 345265125 /nfs/dbraw/zinc/26/51/25/345265125.db2.gz MIYLMERTMRCZNB-IINYFYTJSA-N 2 2 263.772 2.442 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000591577860 345265974 /nfs/dbraw/zinc/26/59/74/345265974.db2.gz JDRPXMFIFCDPCB-HOCLYGCPSA-N 2 2 255.365 2.277 20 30 CEEDLP Cc1cc(NCCC[N@@H+](C)CC(C)C)c(C#N)c[nH+]1 ZINC000593480599 345494843 /nfs/dbraw/zinc/49/48/43/345494843.db2.gz SMBBFSNFBPMSEC-UHFFFAOYSA-N 2 2 260.385 2.073 20 30 CEEDLP Cc1cc(NCCC[N@H+](C)CC(C)C)c(C#N)c[nH+]1 ZINC000593480599 345494849 /nfs/dbraw/zinc/49/48/49/345494849.db2.gz SMBBFSNFBPMSEC-UHFFFAOYSA-N 2 2 260.385 2.073 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cn[nH]c3)CC2)c1 ZINC000593692330 345521112 /nfs/dbraw/zinc/52/11/12/345521112.db2.gz BMULYBZATPBEJW-UHFFFAOYSA-N 2 2 295.390 2.036 20 30 CEEDLP CC(C)C[C@@H]([NH3+])c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000593944202 345554435 /nfs/dbraw/zinc/55/44/35/345554435.db2.gz UENKBGHFZJGBCN-GHMZBOCLSA-N 2 2 265.361 2.199 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517013 345642113 /nfs/dbraw/zinc/64/21/13/345642113.db2.gz UEAIJEOYZIXNLR-CJNGLKHVSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517013 345642114 /nfs/dbraw/zinc/64/21/14/345642114.db2.gz UEAIJEOYZIXNLR-CJNGLKHVSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584673 345652091 /nfs/dbraw/zinc/65/20/91/345652091.db2.gz ALODLVNVBSQNGA-YOEHRIQHSA-N 2 2 299.418 2.294 20 30 CEEDLP C[C@]1(C#N)CC[NH+](C/C=C/C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841842 345895384 /nfs/dbraw/zinc/89/53/84/345895384.db2.gz AGVMEZNTZTZVAB-OBMMGQTPSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@]1(C#N)CC[NH+](C/C=C/C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841842 345895388 /nfs/dbraw/zinc/89/53/88/345895388.db2.gz AGVMEZNTZTZVAB-OBMMGQTPSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)c(F)c1 ZINC000596654477 346072682 /nfs/dbraw/zinc/07/26/82/346072682.db2.gz PLPGHXRYWDZZGB-RWWNRMGGSA-N 2 2 259.328 2.100 20 30 CEEDLP N#CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000596996673 346113608 /nfs/dbraw/zinc/11/36/08/346113608.db2.gz WKHWBMJAHHFPHR-UHFFFAOYSA-N 2 2 281.363 2.393 20 30 CEEDLP N#CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000596996673 346113612 /nfs/dbraw/zinc/11/36/12/346113612.db2.gz WKHWBMJAHHFPHR-UHFFFAOYSA-N 2 2 281.363 2.393 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768307 346686326 /nfs/dbraw/zinc/68/63/26/346686326.db2.gz HMIWTWKHCKLLQR-IUODEOHRSA-N 2 2 259.353 2.115 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768307 346686329 /nfs/dbraw/zinc/68/63/29/346686329.db2.gz HMIWTWKHCKLLQR-IUODEOHRSA-N 2 2 259.353 2.115 20 30 CEEDLP Cc1cc(C)c(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)[nH+]1 ZINC000602852098 347224949 /nfs/dbraw/zinc/22/49/49/347224949.db2.gz ZWLPWPMETRVOFX-GJZGRUSLSA-N 2 2 286.423 2.425 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720153 180030722 /nfs/dbraw/zinc/03/07/22/180030722.db2.gz AYIAMRDARNBMDH-GOEBONIOSA-N 2 2 272.392 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720153 180030723 /nfs/dbraw/zinc/03/07/23/180030723.db2.gz AYIAMRDARNBMDH-GOEBONIOSA-N 2 2 272.392 2.271 20 30 CEEDLP C=C[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631088616 351957305 /nfs/dbraw/zinc/95/73/05/351957305.db2.gz OZEXKZYUTWBABI-HNNXBMFYSA-N 2 2 290.407 2.062 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337531258 366158704 /nfs/dbraw/zinc/15/87/04/366158704.db2.gz VHAVCGDZVQVSQN-GOEBONIOSA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848830 366405981 /nfs/dbraw/zinc/40/59/81/366405981.db2.gz HZFYHIVIHVVQBF-KBXCAEBGSA-N 2 2 299.418 2.290 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217654909 540411771 /nfs/dbraw/zinc/41/17/71/540411771.db2.gz OATLZACSWJMGIV-CVEARBPZSA-N 2 2 255.365 2.275 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217654909 540411773 /nfs/dbraw/zinc/41/17/73/540411773.db2.gz OATLZACSWJMGIV-CVEARBPZSA-N 2 2 255.365 2.275 20 30 CEEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)[NH+]1CCC(C)CC1 ZINC000578316336 366476890 /nfs/dbraw/zinc/47/68/90/366476890.db2.gz XEUFXEQYRQTBIV-GJZGRUSLSA-N 2 2 262.401 2.140 20 30 CEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)o1 ZINC000093660004 364210375 /nfs/dbraw/zinc/21/03/75/364210375.db2.gz GILRDRIWSJTRLR-CYBMUJFWSA-N 2 2 261.369 2.457 20 30 CEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)o1 ZINC000093660004 364210383 /nfs/dbraw/zinc/21/03/83/364210383.db2.gz GILRDRIWSJTRLR-CYBMUJFWSA-N 2 2 261.369 2.457 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)o1 ZINC000093660004 364210386 /nfs/dbraw/zinc/21/03/86/364210386.db2.gz GILRDRIWSJTRLR-CYBMUJFWSA-N 2 2 261.369 2.457 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)o1 ZINC000093660004 364210392 /nfs/dbraw/zinc/21/03/92/364210392.db2.gz GILRDRIWSJTRLR-CYBMUJFWSA-N 2 2 261.369 2.457 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000113514033 364901740 /nfs/dbraw/zinc/90/17/40/364901740.db2.gz ZGUAEAMHBDMUNT-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000113514033 364901743 /nfs/dbraw/zinc/90/17/43/364901743.db2.gz ZGUAEAMHBDMUNT-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000275431194 193034256 /nfs/dbraw/zinc/03/42/56/193034256.db2.gz FIGFIPKYZPDORD-RDJZCZTQSA-N 2 2 296.374 2.302 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972668 366985164 /nfs/dbraw/zinc/98/51/64/366985164.db2.gz OBHJQLYZMKZFKE-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972668 366985170 /nfs/dbraw/zinc/98/51/70/366985170.db2.gz OBHJQLYZMKZFKE-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972668 366985175 /nfs/dbraw/zinc/98/51/75/366985175.db2.gz OBHJQLYZMKZFKE-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972668 366985182 /nfs/dbraw/zinc/98/51/82/366985182.db2.gz OBHJQLYZMKZFKE-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1cccs1 ZINC000170906233 367444746 /nfs/dbraw/zinc/44/47/46/367444746.db2.gz JUYYHIRDHGAPKN-LLVKDONJSA-N 2 2 289.408 2.173 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1OC ZINC000346635408 368743755 /nfs/dbraw/zinc/74/37/55/368743755.db2.gz GXRLLGNPEKFUSJ-UHFFFAOYSA-N 2 2 276.380 2.055 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1OC ZINC000346635408 368743760 /nfs/dbraw/zinc/74/37/60/368743760.db2.gz GXRLLGNPEKFUSJ-UHFFFAOYSA-N 2 2 276.380 2.055 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000346692806 368774753 /nfs/dbraw/zinc/77/47/53/368774753.db2.gz JCFFEDNXAQQUDA-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000346692806 368774755 /nfs/dbraw/zinc/77/47/55/368774755.db2.gz JCFFEDNXAQQUDA-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)CC12CC(C1)C[NH2+]2 ZINC000634992596 369021262 /nfs/dbraw/zinc/02/12/62/369021262.db2.gz VEFSEEFFUBPULN-UHFFFAOYSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)CC12CC(C1)C[NH2+]2 ZINC000634992596 369021265 /nfs/dbraw/zinc/02/12/65/369021265.db2.gz VEFSEEFFUBPULN-UHFFFAOYSA-N 2 2 272.392 2.435 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233998557 370528091 /nfs/dbraw/zinc/52/80/91/370528091.db2.gz FBARSHAVBGHSIG-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233998557 370528094 /nfs/dbraw/zinc/52/80/94/370528094.db2.gz FBARSHAVBGHSIG-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358745490 371201105 /nfs/dbraw/zinc/20/11/05/371201105.db2.gz FCDMBLQVEKSWJP-MRXNPFEDSA-N 2 2 288.439 2.428 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264063450 371959576 /nfs/dbraw/zinc/95/95/76/371959576.db2.gz AFTDWIMZOYOYJZ-GFCCVEGCSA-N 2 2 294.468 2.199 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000264063450 371959579 /nfs/dbraw/zinc/95/95/79/371959579.db2.gz AFTDWIMZOYOYJZ-GFCCVEGCSA-N 2 2 294.468 2.199 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264122912 371974515 /nfs/dbraw/zinc/97/45/15/371974515.db2.gz VOIPGLZXEUPNQB-OLZOCXBDSA-N 2 2 280.416 2.365 20 30 CEEDLP CC(C)(C[NH2+]Cc1ccc(C#N)o1)C[NH+]1CCCC1 ZINC000276724539 374279815 /nfs/dbraw/zinc/27/98/15/374279815.db2.gz TZEGHHUTNCJRGP-UHFFFAOYSA-N 2 2 261.369 2.363 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108406 375795420 /nfs/dbraw/zinc/79/54/20/375795420.db2.gz GFWQDUUSNSAERL-ZDUSSCGKSA-N 2 2 274.412 2.130 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000414786502 375969882 /nfs/dbraw/zinc/96/98/82/375969882.db2.gz MFOLABDAKYRYFR-QGZVFWFLSA-N 2 2 285.391 2.142 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000414786502 375969884 /nfs/dbraw/zinc/96/98/84/375969884.db2.gz MFOLABDAKYRYFR-QGZVFWFLSA-N 2 2 285.391 2.142 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723867 /nfs/dbraw/zinc/72/38/67/376723867.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723872 /nfs/dbraw/zinc/72/38/72/376723872.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723877 /nfs/dbraw/zinc/72/38/77/376723877.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723886 /nfs/dbraw/zinc/72/38/86/376723886.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871913 /nfs/dbraw/zinc/87/19/13/376871913.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=C(C)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871915 /nfs/dbraw/zinc/87/19/15/376871915.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=C(C)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871917 /nfs/dbraw/zinc/87/19/17/376871917.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C=C(C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871919 /nfs/dbraw/zinc/87/19/19/376871919.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 2 276.428 2.311 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000329671556 376988034 /nfs/dbraw/zinc/98/80/34/376988034.db2.gz SDGQRQRATKGKCJ-OLZOCXBDSA-N 2 2 290.411 2.488 20 30 CEEDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C#N)c1 ZINC000313252005 249388309 /nfs/dbraw/zinc/38/83/09/249388309.db2.gz MMDIBGWYYBRRIX-GFCCVEGCSA-N 2 2 254.337 2.185 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000436314508 377824121 /nfs/dbraw/zinc/82/41/21/377824121.db2.gz YDWRQAPRTQMEFZ-XOUADPBQSA-N 2 2 264.413 2.040 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000436314508 377824130 /nfs/dbraw/zinc/82/41/30/377824130.db2.gz YDWRQAPRTQMEFZ-XOUADPBQSA-N 2 2 264.413 2.040 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000294965818 378032884 /nfs/dbraw/zinc/03/28/84/378032884.db2.gz JOYFPEVZFUOUJR-AWEZNQCLSA-N 2 2 290.407 2.310 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000294965818 378032887 /nfs/dbraw/zinc/03/28/87/378032887.db2.gz JOYFPEVZFUOUJR-AWEZNQCLSA-N 2 2 290.407 2.310 20 30 CEEDLP C[NH+](CC#CC[N@@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000295240653 378066491 /nfs/dbraw/zinc/06/64/91/378066491.db2.gz XZILXOHXDAGINU-UHFFFAOYSA-N 2 2 294.402 2.044 20 30 CEEDLP C[NH+](CC#CC[N@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000295240653 378066496 /nfs/dbraw/zinc/06/64/96/378066496.db2.gz XZILXOHXDAGINU-UHFFFAOYSA-N 2 2 294.402 2.044 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000294878659 378025289 /nfs/dbraw/zinc/02/52/89/378025289.db2.gz DEOBETVGKHRSDK-ZDUSSCGKSA-N 2 2 278.371 2.440 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000294878659 378025293 /nfs/dbraw/zinc/02/52/93/378025293.db2.gz DEOBETVGKHRSDK-ZDUSSCGKSA-N 2 2 278.371 2.440 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449386945 378210130 /nfs/dbraw/zinc/21/01/30/378210130.db2.gz JZQGQTGLRDAJQA-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449386945 378210134 /nfs/dbraw/zinc/21/01/34/378210134.db2.gz JZQGQTGLRDAJQA-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC)n2)CC1 ZINC000190977939 130168665 /nfs/dbraw/zinc/16/86/65/130168665.db2.gz YPMPFBKSZKRDAG-UHFFFAOYSA-N 2 2 275.396 2.220 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000305688203 394509036 /nfs/dbraw/zinc/50/90/36/394509036.db2.gz PKGVBQPVQHHCBU-GJZGRUSLSA-N 2 2 277.412 2.002 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000305688203 394509041 /nfs/dbraw/zinc/50/90/41/394509041.db2.gz PKGVBQPVQHHCBU-GJZGRUSLSA-N 2 2 277.412 2.002 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332439838 394637448 /nfs/dbraw/zinc/63/74/48/394637448.db2.gz ZLIGZZWDXILVOF-ZFWWWQNUSA-N 2 2 270.380 2.332 20 30 CEEDLP C=CC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284253127 394942068 /nfs/dbraw/zinc/94/20/68/394942068.db2.gz WJXCKOWKGLGNIX-KRWDZBQOSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284253127 394942069 /nfs/dbraw/zinc/94/20/69/394942069.db2.gz WJXCKOWKGLGNIX-KRWDZBQOSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284253127 394942071 /nfs/dbraw/zinc/94/20/71/394942071.db2.gz WJXCKOWKGLGNIX-KRWDZBQOSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284253127 394942072 /nfs/dbraw/zinc/94/20/72/394942072.db2.gz WJXCKOWKGLGNIX-KRWDZBQOSA-N 2 2 274.408 2.395 20 30 CEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134155 394945152 /nfs/dbraw/zinc/94/51/52/394945152.db2.gz HCTJFPMGBPHNEE-IPYPFGDCSA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134155 394945156 /nfs/dbraw/zinc/94/51/56/394945156.db2.gz HCTJFPMGBPHNEE-IPYPFGDCSA-N 2 2 257.337 2.227 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987681 394999839 /nfs/dbraw/zinc/99/98/39/394999839.db2.gz UJXJPQWECWHXIS-VYDXJSESSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987681 394999843 /nfs/dbraw/zinc/99/98/43/394999843.db2.gz UJXJPQWECWHXIS-VYDXJSESSA-N 3 2 279.472 2.345 20 30 CEEDLP Cc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425229704 395053121 /nfs/dbraw/zinc/05/31/21/395053121.db2.gz LGJODOXWIXCUPJ-UHFFFAOYSA-N 2 2 298.365 2.367 20 30 CEEDLP Cc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425229704 395053124 /nfs/dbraw/zinc/05/31/24/395053124.db2.gz LGJODOXWIXCUPJ-UHFFFAOYSA-N 2 2 298.365 2.367 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000290293843 395098499 /nfs/dbraw/zinc/09/84/99/395098499.db2.gz HFOJRZHGVRLOFA-GUYCJALGSA-N 2 2 254.377 2.240 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000290293843 395098502 /nfs/dbraw/zinc/09/85/02/395098502.db2.gz HFOJRZHGVRLOFA-GUYCJALGSA-N 2 2 254.377 2.240 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000376167473 395110997 /nfs/dbraw/zinc/11/09/97/395110997.db2.gz RDPZECAKTDJVHD-JJTUDDRGSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000376167473 395111004 /nfs/dbraw/zinc/11/10/04/395111004.db2.gz RDPZECAKTDJVHD-JJTUDDRGSA-N 2 2 291.439 2.300 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1C#N ZINC000443984188 395408251 /nfs/dbraw/zinc/40/82/51/395408251.db2.gz WEYSFMDTOHKDRD-HNNXBMFYSA-N 2 2 255.365 2.193 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1C#N ZINC000443984188 395408254 /nfs/dbraw/zinc/40/82/54/395408254.db2.gz WEYSFMDTOHKDRD-HNNXBMFYSA-N 2 2 255.365 2.193 20 30 CEEDLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000443967094 395408354 /nfs/dbraw/zinc/40/83/54/395408354.db2.gz TXJUZJPEXYXBIB-ZDUSSCGKSA-N 2 2 268.364 2.489 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413964 395520146 /nfs/dbraw/zinc/52/01/46/395520146.db2.gz KFDQZVAQLNPQLJ-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413964 395520149 /nfs/dbraw/zinc/52/01/49/395520149.db2.gz KFDQZVAQLNPQLJ-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000566413964 395520152 /nfs/dbraw/zinc/52/01/52/395520152.db2.gz KFDQZVAQLNPQLJ-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000566413964 395520155 /nfs/dbraw/zinc/52/01/55/395520155.db2.gz KFDQZVAQLNPQLJ-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000648445447 395909855 /nfs/dbraw/zinc/90/98/55/395909855.db2.gz HWSCEFNWXPTRJE-GJZGRUSLSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000651818905 401398682 /nfs/dbraw/zinc/39/86/82/401398682.db2.gz KCDNSBNFIZGZQK-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000651818905 401398683 /nfs/dbraw/zinc/39/86/83/401398683.db2.gz KCDNSBNFIZGZQK-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CCC)CC1 ZINC000657353748 414878320 /nfs/dbraw/zinc/87/83/20/414878320.db2.gz VKQDPCAHTKKCTH-UHFFFAOYSA-N 2 2 262.401 2.033 20 30 CEEDLP C=CCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653688129 415075273 /nfs/dbraw/zinc/07/52/73/415075273.db2.gz GNXZTUMLEDETSD-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CCCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653688129 415075278 /nfs/dbraw/zinc/07/52/78/415075278.db2.gz GNXZTUMLEDETSD-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCC2)CC1 ZINC000657875448 415110017 /nfs/dbraw/zinc/11/00/17/415110017.db2.gz KBECMLKDQSPDTD-ZDUSSCGKSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(OC)c1O ZINC000666768482 419421743 /nfs/dbraw/zinc/42/17/43/419421743.db2.gz GVKMLUISAMBIAK-OAHLLOKOSA-N 2 2 290.407 2.361 20 30 CEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000184092230 262007930 /nfs/dbraw/zinc/00/79/30/262007930.db2.gz JGYWXGCGUJBFPN-CQSZACIVSA-N 2 2 272.396 2.328 20 30 CEEDLP CCNC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000287003613 263100579 /nfs/dbraw/zinc/10/05/79/263100579.db2.gz FEEHUYYVKRQHOJ-HNNXBMFYSA-N 2 2 292.427 2.001 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341308150 263333312 /nfs/dbraw/zinc/33/33/12/263333312.db2.gz WVBKUXWZQKOIDV-NJAFHUGGSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341308150 263333315 /nfs/dbraw/zinc/33/33/15/263333315.db2.gz WVBKUXWZQKOIDV-NJAFHUGGSA-N 2 2 288.435 2.424 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367702031 267111479 /nfs/dbraw/zinc/11/14/79/267111479.db2.gz LNTBUSCKRJDPFT-INIZCTEOSA-N 2 2 295.386 2.422 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367702031 267111481 /nfs/dbraw/zinc/11/14/81/267111481.db2.gz LNTBUSCKRJDPFT-INIZCTEOSA-N 2 2 295.386 2.422 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000368641000 267193711 /nfs/dbraw/zinc/19/37/11/267193711.db2.gz BYKPQEMQVURKRX-HIFRSBDPSA-N 2 2 281.363 2.439 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423164505 267196664 /nfs/dbraw/zinc/19/66/64/267196664.db2.gz SRZJKOCGZSPYJZ-CABCVRRESA-N 2 2 261.344 2.318 20 30 CEEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C#N)s1 ZINC000421351043 267293874 /nfs/dbraw/zinc/29/38/74/267293874.db2.gz NIQJCMLZCQGCNS-UHFFFAOYSA-N 2 2 272.377 2.371 20 30 CEEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000348347648 274480648 /nfs/dbraw/zinc/48/06/48/274480648.db2.gz WIFNHSJJXNTYOF-CQSZACIVSA-N 2 2 286.423 2.067 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684195 278273615 /nfs/dbraw/zinc/27/36/15/278273615.db2.gz RZXBOYJGOLJLCW-SWLSCSKDSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684195 278273618 /nfs/dbraw/zinc/27/36/18/278273618.db2.gz RZXBOYJGOLJLCW-SWLSCSKDSA-N 2 2 255.365 2.446 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152280126 289083612 /nfs/dbraw/zinc/08/36/12/289083612.db2.gz UXODJUCYAPJDRD-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152280126 289083616 /nfs/dbraw/zinc/08/36/16/289083616.db2.gz UXODJUCYAPJDRD-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152280126 289083618 /nfs/dbraw/zinc/08/36/18/289083618.db2.gz UXODJUCYAPJDRD-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152280126 289083622 /nfs/dbraw/zinc/08/36/22/289083622.db2.gz UXODJUCYAPJDRD-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC(C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000262232077 330002143 /nfs/dbraw/zinc/00/21/43/330002143.db2.gz GYRIYIURKAKOOM-ZDUSSCGKSA-N 2 2 278.400 2.119 20 30 CEEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000580445572 330139409 /nfs/dbraw/zinc/13/94/09/330139409.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC ZINC000580445572 330139410 /nfs/dbraw/zinc/13/94/10/330139410.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000580445572 330139411 /nfs/dbraw/zinc/13/94/11/330139411.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000580445572 330139412 /nfs/dbraw/zinc/13/94/12/330139412.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 2 276.424 2.377 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000045946430 330350025 /nfs/dbraw/zinc/35/00/25/330350025.db2.gz MRNRAPWKIFXJCL-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000045946430 330350026 /nfs/dbraw/zinc/35/00/26/330350026.db2.gz MRNRAPWKIFXJCL-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442707060 330779966 /nfs/dbraw/zinc/77/99/66/330779966.db2.gz FPHQOXXIOBLNHH-ULQDDVLXSA-N 2 2 271.408 2.441 20 30 CEEDLP C#CC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCCC1 ZINC000491615076 332242935 /nfs/dbraw/zinc/24/29/35/332242935.db2.gz ASISIXDNEUKHNW-UHFFFAOYSA-N 2 2 274.412 2.254 20 30 CEEDLP C#CC[N@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCCC1 ZINC000491615076 332242937 /nfs/dbraw/zinc/24/29/37/332242937.db2.gz ASISIXDNEUKHNW-UHFFFAOYSA-N 2 2 274.412 2.254 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000329218193 534549712 /nfs/dbraw/zinc/54/97/12/534549712.db2.gz RMXLBOFCAJPNLA-ZDUSSCGKSA-N 2 2 256.353 2.119 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000329218193 534549719 /nfs/dbraw/zinc/54/97/19/534549719.db2.gz RMXLBOFCAJPNLA-ZDUSSCGKSA-N 2 2 256.353 2.119 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C#N ZINC000124407366 536362218 /nfs/dbraw/zinc/36/22/18/536362218.db2.gz GUYUJFZLMAACSD-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C#N ZINC000124407366 536362220 /nfs/dbraw/zinc/36/22/20/536362220.db2.gz GUYUJFZLMAACSD-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000733325233 574663919 /nfs/dbraw/zinc/66/39/19/574663919.db2.gz FUDXGPHGSBWNRK-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000733325233 574663921 /nfs/dbraw/zinc/66/39/21/574663921.db2.gz FUDXGPHGSBWNRK-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000968671116 613349389 /nfs/dbraw/zinc/34/93/89/613349389.db2.gz XUKCLRJJXMKOJZ-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C[NH+]1CCC(C[N@H+](CCC#N)Cc2cccnc2)CC1 ZINC000891457818 623719311 /nfs/dbraw/zinc/71/93/11/623719311.db2.gz AOAWITCLPYSFMW-UHFFFAOYSA-N 2 2 272.396 2.139 20 30 CEEDLP C[NH+]1CCC(C[N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC000891457818 623719317 /nfs/dbraw/zinc/71/93/17/623719317.db2.gz AOAWITCLPYSFMW-UHFFFAOYSA-N 2 2 272.396 2.139 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000327985635 627728530 /nfs/dbraw/zinc/72/85/30/627728530.db2.gz KBFKUZYSEHPEIB-UHFFFAOYSA-N 2 2 282.334 2.333 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000327985635 627728531 /nfs/dbraw/zinc/72/85/31/627728531.db2.gz KBFKUZYSEHPEIB-UHFFFAOYSA-N 2 2 282.334 2.333 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000902446454 634669362 /nfs/dbraw/zinc/66/93/62/634669362.db2.gz OSLGRNKQNIEAFS-MGPQQGTHSA-N 2 2 290.436 2.415 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cccc1OC ZINC000894863457 629700953 /nfs/dbraw/zinc/70/09/53/629700953.db2.gz CUPXGLIOSMGAIC-UHFFFAOYSA-N 2 2 260.381 2.048 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cccc1OC ZINC000894863457 629700956 /nfs/dbraw/zinc/70/09/56/629700956.db2.gz CUPXGLIOSMGAIC-UHFFFAOYSA-N 2 2 260.381 2.048 20 30 CEEDLP Cc1cc(NCC#CC[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000894871424 629708249 /nfs/dbraw/zinc/70/82/49/629708249.db2.gz FBUKZSYHJJSULF-UHFFFAOYSA-N 2 2 258.369 2.029 20 30 CEEDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720681 634793354 /nfs/dbraw/zinc/79/33/54/634793354.db2.gz MHZPFWJPZOVDSK-CYBMUJFWSA-N 2 2 260.385 2.336 20 30 CEEDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926961602 632388958 /nfs/dbraw/zinc/38/89/58/632388958.db2.gz JQWGLOGAALSEQH-CZUORRHYSA-N 2 2 275.396 2.176 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652568 633043779 /nfs/dbraw/zinc/04/37/79/633043779.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 2 299.462 2.052 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652568 633043782 /nfs/dbraw/zinc/04/37/82/633043782.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 2 299.462 2.052 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819024402 634044287 /nfs/dbraw/zinc/04/42/87/634044287.db2.gz PNGDXEXDJZLWOC-HNNXBMFYSA-N 2 2 296.361 2.238 20 30 CEEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NCCc1ccccc1 ZINC000170905238 639683884 /nfs/dbraw/zinc/68/38/84/639683884.db2.gz WRSGQTWXPCAVAR-UHFFFAOYSA-N 2 2 297.406 2.031 20 30 CEEDLP CC[NH+](CC)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921469334 641277855 /nfs/dbraw/zinc/27/78/55/641277855.db2.gz FDSFZYUWPGPYSH-UHFFFAOYSA-N 2 2 251.399 2.441 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000848986441 642208869 /nfs/dbraw/zinc/20/88/69/642208869.db2.gz RUZBFIZUGLLTAU-ZDUSSCGKSA-N 2 2 280.441 2.431 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670800 642658938 /nfs/dbraw/zinc/65/89/38/642658938.db2.gz RTLAIXCBBMHFMD-UHFFFAOYSA-N 2 2 272.392 2.225 20 30 CEEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000851900648 643214973 /nfs/dbraw/zinc/21/49/73/643214973.db2.gz GMFRPOAVCUKXAW-IAGOWNOFSA-N 2 2 274.408 2.042 20 30 CEEDLP C#CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000851900648 643214982 /nfs/dbraw/zinc/21/49/82/643214982.db2.gz GMFRPOAVCUKXAW-IAGOWNOFSA-N 2 2 274.408 2.042 20 30 CEEDLP C#CC[C@H](COC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000858335173 645123468 /nfs/dbraw/zinc/12/34/68/645123468.db2.gz MREYSXVTFJBKIE-GFCCVEGCSA-N 2 2 275.377 2.062 20 30 CEEDLP C=CC[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000878058197 650986570 /nfs/dbraw/zinc/98/65/70/650986570.db2.gz YBLHMLLEVMKRGN-ZDUSSCGKSA-N 2 2 261.369 2.177 20 30 CEEDLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866259430 647700547 /nfs/dbraw/zinc/70/05/47/647700547.db2.gz BLOVLVZMTJCHBO-GFCCVEGCSA-N 2 2 273.380 2.256 20 30 CEEDLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000880472850 651446735 /nfs/dbraw/zinc/44/67/35/651446735.db2.gz GDGQOPUSTTVVGP-KRWDZBQOSA-N 2 2 299.418 2.152 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883131350 652372778 /nfs/dbraw/zinc/37/27/78/652372778.db2.gz XKZSTHTYBGBPRF-UHFFFAOYSA-N 2 2 295.377 2.076 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883131350 652372781 /nfs/dbraw/zinc/37/27/81/652372781.db2.gz XKZSTHTYBGBPRF-UHFFFAOYSA-N 2 2 295.377 2.076 20 30 CEEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883165162 652385080 /nfs/dbraw/zinc/38/50/80/652385080.db2.gz XUFKCHQBBRRYRV-CABCVRRESA-N 2 2 263.385 2.377 20 30 CEEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883165164 652385306 /nfs/dbraw/zinc/38/53/06/652385306.db2.gz XUFKCHQBBRRYRV-HUUCEWRRSA-N 2 2 263.385 2.377 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCO1 ZINC000883223421 652405200 /nfs/dbraw/zinc/40/52/00/652405200.db2.gz PAFYOTFMNPAUNP-IVMMDQJWSA-N 2 2 275.396 2.370 20 30 CEEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001267014445 803060548 /nfs/dbraw/zinc/06/05/48/803060548.db2.gz AFWRQPVXLGZGHC-AWEZNQCLSA-N 2 2 298.390 2.105 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000385640745 804339686 /nfs/dbraw/zinc/33/96/86/804339686.db2.gz UXMOXKMETBSUKZ-NSHDSACASA-N 2 2 265.426 2.366 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000385640745 804339694 /nfs/dbraw/zinc/33/96/94/804339694.db2.gz UXMOXKMETBSUKZ-NSHDSACASA-N 2 2 265.426 2.366 20 30 CEEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904848 804512520 /nfs/dbraw/zinc/51/25/20/804512520.db2.gz XXOHRHHQZSCEBR-HZPDHXFCSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038904848 804512523 /nfs/dbraw/zinc/51/25/23/804512523.db2.gz XXOHRHHQZSCEBR-HZPDHXFCSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038904848 804512530 /nfs/dbraw/zinc/51/25/30/804512530.db2.gz XXOHRHHQZSCEBR-HZPDHXFCSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001272935292 808953270 /nfs/dbraw/zinc/95/32/70/808953270.db2.gz FAFTVODKDSACHG-CQSZACIVSA-N 2 2 298.390 2.156 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172295174 815386204 /nfs/dbraw/zinc/38/62/04/815386204.db2.gz PTWHETJRRWUXRH-CJNGLKHVSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172295174 815386209 /nfs/dbraw/zinc/38/62/09/815386209.db2.gz PTWHETJRRWUXRH-CJNGLKHVSA-N 2 2 257.381 2.173 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001020153392 810773639 /nfs/dbraw/zinc/77/36/39/810773639.db2.gz HYGBBXSDBRMMSJ-SHTZXODSSA-N 2 2 298.390 2.069 20 30 CEEDLP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254979 810815239 /nfs/dbraw/zinc/81/52/39/810815239.db2.gz TVNVKOFGCXDNRC-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254979 810815246 /nfs/dbraw/zinc/81/52/46/810815246.db2.gz TVNVKOFGCXDNRC-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C(C)C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022877 811952352 /nfs/dbraw/zinc/95/23/52/811952352.db2.gz KMNUZPWYBXZCBH-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471798 812525452 /nfs/dbraw/zinc/52/54/52/812525452.db2.gz GCPCTXZSTFRGDK-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741759 813320436 /nfs/dbraw/zinc/32/04/36/813320436.db2.gz ZKXOILDPYSGDJJ-STQMWFEESA-N 2 2 298.390 2.073 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031772 813589943 /nfs/dbraw/zinc/58/99/43/813589943.db2.gz PUDNCQKAIVBBMH-QWHCGFSZSA-N 2 2 292.427 2.100 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(CC)c[nH+]1 ZINC001171069257 813798250 /nfs/dbraw/zinc/79/82/50/813798250.db2.gz DYJMSAMANAAAAR-AWEZNQCLSA-N 2 2 291.395 2.283 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246624149 814222418 /nfs/dbraw/zinc/22/24/18/814222418.db2.gz CGKIELRDXBKIHT-IRXDYDNUSA-N 2 2 298.471 2.426 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246624149 814222426 /nfs/dbraw/zinc/22/24/26/814222426.db2.gz CGKIELRDXBKIHT-IRXDYDNUSA-N 2 2 298.471 2.426 20 30 CEEDLP N#CCC1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001173334333 815680056 /nfs/dbraw/zinc/68/00/56/815680056.db2.gz QFIFIISXHKSEGE-GPANFISMSA-N 2 2 291.439 2.302 20 30 CEEDLP N#CCC1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001173334333 815680059 /nfs/dbraw/zinc/68/00/59/815680059.db2.gz QFIFIISXHKSEGE-GPANFISMSA-N 2 2 291.439 2.302 20 30 CEEDLP CC[N@H+](CCC#N)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257240 815997029 /nfs/dbraw/zinc/99/70/29/815997029.db2.gz VLEYBXNUMNDZJP-UHFFFAOYSA-N 2 2 291.395 2.198 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257240 815997031 /nfs/dbraw/zinc/99/70/31/815997031.db2.gz VLEYBXNUMNDZJP-UHFFFAOYSA-N 2 2 291.395 2.198 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176809962 816478101 /nfs/dbraw/zinc/47/81/01/816478101.db2.gz GRMNDVUIQXRIFS-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037644947 361918643 /nfs/dbraw/zinc/91/86/43/361918643.db2.gz FKKXOVFGRBMPPI-CYBMUJFWSA-N 2 2 261.344 2.129 20 30 CEEDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037644947 361918649 /nfs/dbraw/zinc/91/86/49/361918649.db2.gz FKKXOVFGRBMPPI-CYBMUJFWSA-N 2 2 261.344 2.129 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1C#N ZINC000602004299 346955917 /nfs/dbraw/zinc/95/59/17/346955917.db2.gz LHSOGFAWDGLUFS-LLVKDONJSA-N 2 2 258.300 2.072 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602540512 347070186 /nfs/dbraw/zinc/07/01/86/347070186.db2.gz ODWPWWJVFQZMRA-HNNXBMFYSA-N 2 2 291.439 2.325 20 30 CEEDLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602561469 347078352 /nfs/dbraw/zinc/07/83/52/347078352.db2.gz GYLZUGIJKXXWPW-HNNXBMFYSA-N 2 2 281.444 2.407 20 30 CEEDLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602561469 347078356 /nfs/dbraw/zinc/07/83/56/347078356.db2.gz GYLZUGIJKXXWPW-HNNXBMFYSA-N 2 2 281.444 2.407 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000593968729 345557481 /nfs/dbraw/zinc/55/74/81/345557481.db2.gz YOJBBJJEBRJHRR-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000593968729 345557485 /nfs/dbraw/zinc/55/74/85/345557485.db2.gz YOJBBJJEBRJHRR-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(F)c1 ZINC000594920999 345702458 /nfs/dbraw/zinc/70/24/58/345702458.db2.gz OSRQHOYWCFIRTJ-UHFFFAOYSA-N 2 2 270.311 2.130 20 30 CEEDLP C=CCCSCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594966349 345719297 /nfs/dbraw/zinc/71/92/97/345719297.db2.gz HMFIGEHYSLZVOB-UHFFFAOYSA-N 2 2 251.399 2.228 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056807 345736194 /nfs/dbraw/zinc/73/61/94/345736194.db2.gz WTPTVAYMTDOSOA-CXAGYDPISA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056807 345736195 /nfs/dbraw/zinc/73/61/95/345736195.db2.gz WTPTVAYMTDOSOA-CXAGYDPISA-N 2 2 269.392 2.173 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768134 345871790 /nfs/dbraw/zinc/87/17/90/345871790.db2.gz GGWPLILSAATMMT-QGZVFWFLSA-N 2 2 299.418 2.248 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768134 345871792 /nfs/dbraw/zinc/87/17/92/345871792.db2.gz GGWPLILSAATMMT-QGZVFWFLSA-N 2 2 299.418 2.248 20 30 CEEDLP C[N@H+](Cc1c[nH+]c2n1CCC2)Cc1ccc(C#N)cc1 ZINC000596979792 346111998 /nfs/dbraw/zinc/11/19/98/346111998.db2.gz OYYAQNCRCPDAAP-UHFFFAOYSA-N 2 2 266.348 2.333 20 30 CEEDLP C[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1ccc(C#N)cc1 ZINC000596979792 346111999 /nfs/dbraw/zinc/11/19/99/346111999.db2.gz OYYAQNCRCPDAAP-UHFFFAOYSA-N 2 2 266.348 2.333 20 30 CEEDLP C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662219 346557677 /nfs/dbraw/zinc/55/76/77/346557677.db2.gz ZPZAYGCGGKDMTD-INIZCTEOSA-N 2 2 290.407 2.298 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000599664087 346558499 /nfs/dbraw/zinc/55/84/99/346558499.db2.gz MSOFDNAKWCFTJG-HNNXBMFYSA-N 2 2 279.428 2.255 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C#N ZINC000600710963 346675684 /nfs/dbraw/zinc/67/56/84/346675684.db2.gz QZVUNZHCIAJMEQ-ZBFHGGJFSA-N 2 2 255.365 2.051 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C#N ZINC000600710963 346675686 /nfs/dbraw/zinc/67/56/86/346675686.db2.gz QZVUNZHCIAJMEQ-ZBFHGGJFSA-N 2 2 255.365 2.051 20 30 CEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600740192 346682125 /nfs/dbraw/zinc/68/21/25/346682125.db2.gz UBGUECGCJBCCFQ-HOTGVXAUSA-N 2 2 293.455 2.141 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600751389 346684577 /nfs/dbraw/zinc/68/45/77/346684577.db2.gz QZSNDTWIUFJIPT-CVEARBPZSA-N 2 2 293.455 2.284 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600751389 346684578 /nfs/dbraw/zinc/68/45/78/346684578.db2.gz QZSNDTWIUFJIPT-CVEARBPZSA-N 2 2 293.455 2.284 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000129471656 365862922 /nfs/dbraw/zinc/86/29/22/365862922.db2.gz ZHFNAUSNGNGQNT-ILXRZTDVSA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000129471656 365862925 /nfs/dbraw/zinc/86/29/25/365862925.db2.gz ZHFNAUSNGNGQNT-ILXRZTDVSA-N 2 2 271.368 2.210 20 30 CEEDLP N#Cc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157502 347629304 /nfs/dbraw/zinc/62/93/04/347629304.db2.gz XKBQELFSUMVYCA-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157502 347629305 /nfs/dbraw/zinc/62/93/05/347629305.db2.gz XKBQELFSUMVYCA-INIZCTEOSA-N 2 2 296.374 2.471 20 30 CEEDLP N#CCSCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610409894 347679487 /nfs/dbraw/zinc/67/94/87/347679487.db2.gz OSGJRAZIPSSGNL-ZDUSSCGKSA-N 2 2 264.398 2.167 20 30 CEEDLP N#CCSCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610409894 347679490 /nfs/dbraw/zinc/67/94/90/347679490.db2.gz OSGJRAZIPSSGNL-ZDUSSCGKSA-N 2 2 264.398 2.167 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000109787070 186272053 /nfs/dbraw/zinc/27/20/53/186272053.db2.gz BSBJBZMLFSCDKV-UHFFFAOYSA-N 2 2 295.471 2.217 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000109787070 186272054 /nfs/dbraw/zinc/27/20/54/186272054.db2.gz BSBJBZMLFSCDKV-UHFFFAOYSA-N 2 2 295.471 2.217 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(OC)c1O ZINC000629395849 351349715 /nfs/dbraw/zinc/34/97/15/351349715.db2.gz GLPHPVRTQVYHJL-SWLSCSKDSA-N 2 2 290.407 2.359 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000123607071 187100251 /nfs/dbraw/zinc/10/02/51/187100251.db2.gz PWPQZVQLWYJWND-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000123607071 187100252 /nfs/dbraw/zinc/10/02/52/187100252.db2.gz PWPQZVQLWYJWND-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607071 187100253 /nfs/dbraw/zinc/10/02/53/187100253.db2.gz PWPQZVQLWYJWND-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607071 187100254 /nfs/dbraw/zinc/10/02/54/187100254.db2.gz PWPQZVQLWYJWND-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[N@H+](CCNCc1c[nH+]c2ccc(C#N)cn12)C1CCCC1 ZINC000123659897 187103449 /nfs/dbraw/zinc/10/34/49/187103449.db2.gz IRQXVGCTZODMRI-UHFFFAOYSA-N 2 2 297.406 2.170 20 30 CEEDLP C[N@@H+](CCNCc1c[nH+]c2ccc(C#N)cn12)C1CCCC1 ZINC000123659897 187103450 /nfs/dbraw/zinc/10/34/50/187103450.db2.gz IRQXVGCTZODMRI-UHFFFAOYSA-N 2 2 297.406 2.170 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000156636736 188273651 /nfs/dbraw/zinc/27/36/51/188273651.db2.gz GUFOECICUGBZRV-COXVUDFISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000156636736 188273652 /nfs/dbraw/zinc/27/36/52/188273652.db2.gz GUFOECICUGBZRV-COXVUDFISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636736 188273653 /nfs/dbraw/zinc/27/36/53/188273653.db2.gz GUFOECICUGBZRV-COXVUDFISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636736 188273654 /nfs/dbraw/zinc/27/36/54/188273654.db2.gz GUFOECICUGBZRV-COXVUDFISA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000156636614 188273746 /nfs/dbraw/zinc/27/37/46/188273746.db2.gz GUFOECICUGBZRV-XKQJLSEDSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000156636614 188273747 /nfs/dbraw/zinc/27/37/47/188273747.db2.gz GUFOECICUGBZRV-XKQJLSEDSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636614 188273748 /nfs/dbraw/zinc/27/37/48/188273748.db2.gz GUFOECICUGBZRV-XKQJLSEDSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636614 188273749 /nfs/dbraw/zinc/27/37/49/188273749.db2.gz GUFOECICUGBZRV-XKQJLSEDSA-N 2 2 287.407 2.006 20 30 CEEDLP CCC#C[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679373606 541267286 /nfs/dbraw/zinc/26/72/86/541267286.db2.gz AGADURZREZNRKV-XNHLSEOASA-N 2 2 289.467 2.031 20 30 CEEDLP CCC#C[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679373606 541267289 /nfs/dbraw/zinc/26/72/89/541267289.db2.gz AGADURZREZNRKV-XNHLSEOASA-N 2 2 289.467 2.031 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000335997516 365270474 /nfs/dbraw/zinc/27/04/74/365270474.db2.gz CDVOQFNMUUZTEU-LLVKDONJSA-N 2 2 272.377 2.343 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000335997516 365270479 /nfs/dbraw/zinc/27/04/79/365270479.db2.gz CDVOQFNMUUZTEU-LLVKDONJSA-N 2 2 272.377 2.343 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000346550536 368714810 /nfs/dbraw/zinc/71/48/10/368714810.db2.gz COHQXEIZOFYSLL-LSDHHAIUSA-N 2 2 279.428 2.017 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000346550536 368714814 /nfs/dbraw/zinc/71/48/14/368714814.db2.gz COHQXEIZOFYSLL-LSDHHAIUSA-N 2 2 279.428 2.017 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000346694690 368777492 /nfs/dbraw/zinc/77/74/92/368777492.db2.gz VRVAYUNPKRTHNJ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000346694690 368777496 /nfs/dbraw/zinc/77/74/96/368777496.db2.gz VRVAYUNPKRTHNJ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000348050226 368875728 /nfs/dbraw/zinc/87/57/28/368875728.db2.gz LSNBDEYXTLUQGA-OAHLLOKOSA-N 2 2 275.396 2.408 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000348050226 368875736 /nfs/dbraw/zinc/87/57/36/368875736.db2.gz LSNBDEYXTLUQGA-OAHLLOKOSA-N 2 2 275.396 2.408 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186714384 369026660 /nfs/dbraw/zinc/02/66/60/369026660.db2.gz BGIGFKVRBOBWFI-HYVNUMGLSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186714384 369026663 /nfs/dbraw/zinc/02/66/63/369026663.db2.gz BGIGFKVRBOBWFI-HYVNUMGLSA-N 2 2 274.408 2.176 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836301 369903655 /nfs/dbraw/zinc/90/36/55/369903655.db2.gz JXKZQPJPPQACRK-ZDUSSCGKSA-N 2 2 292.452 2.472 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836301 369903656 /nfs/dbraw/zinc/90/36/56/369903656.db2.gz JXKZQPJPPQACRK-ZDUSSCGKSA-N 2 2 292.452 2.472 20 30 CEEDLP N#Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000353117307 370023348 /nfs/dbraw/zinc/02/33/48/370023348.db2.gz IOUYBNLFXKHIRW-UHFFFAOYSA-N 2 2 279.303 2.403 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC=C)CC1 ZINC000236660329 370603402 /nfs/dbraw/zinc/60/34/02/370603402.db2.gz CMHHNVQUVUPEDC-UHFFFAOYSA-N 2 2 284.403 2.439 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246956945 371037240 /nfs/dbraw/zinc/03/72/40/371037240.db2.gz HRBZBLHPLUHLMV-NVXWUHKLSA-N 2 2 271.408 2.295 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246956945 371037244 /nfs/dbraw/zinc/03/72/44/371037244.db2.gz HRBZBLHPLUHLMV-NVXWUHKLSA-N 2 2 271.408 2.295 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640034391 371757849 /nfs/dbraw/zinc/75/78/49/371757849.db2.gz GQPAMENINBWDMQ-UHFFFAOYSA-N 2 2 295.471 2.217 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264100275 371969279 /nfs/dbraw/zinc/96/92/79/371969279.db2.gz MPJDQWJRUQRQSC-NSHDSACASA-N 2 2 273.384 2.048 20 30 CEEDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414811477 375997113 /nfs/dbraw/zinc/99/71/13/375997113.db2.gz JEVFXMLZIUABQA-CQSZACIVSA-N 2 2 261.369 2.174 20 30 CEEDLP N#CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420907057 376733436 /nfs/dbraw/zinc/73/34/36/376733436.db2.gz UQVXDCYRUUHRNI-UHFFFAOYSA-N 2 2 299.418 2.254 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)CC ZINC000564316689 377373324 /nfs/dbraw/zinc/37/33/24/377373324.db2.gz AIUAVQJYNMYVRP-KRWDZBQOSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)CC ZINC000564316689 377373329 /nfs/dbraw/zinc/37/33/29/377373329.db2.gz AIUAVQJYNMYVRP-KRWDZBQOSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)CC ZINC000564316689 377373333 /nfs/dbraw/zinc/37/33/33/377373333.db2.gz AIUAVQJYNMYVRP-KRWDZBQOSA-N 2 2 289.423 2.083 20 30 CEEDLP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)CC ZINC000564316689 377373339 /nfs/dbraw/zinc/37/33/39/377373339.db2.gz AIUAVQJYNMYVRP-KRWDZBQOSA-N 2 2 289.423 2.083 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000295091275 378039801 /nfs/dbraw/zinc/03/98/01/378039801.db2.gz UWCZLOLGBSRLCR-INIZCTEOSA-N 2 2 296.361 2.197 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000295091275 378039820 /nfs/dbraw/zinc/03/98/20/378039820.db2.gz UWCZLOLGBSRLCR-INIZCTEOSA-N 2 2 296.361 2.197 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295117262 378043293 /nfs/dbraw/zinc/04/32/93/378043293.db2.gz YBOHEFGBCKDMLJ-UHFFFAOYSA-N 3 2 299.462 2.196 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295117262 378043295 /nfs/dbraw/zinc/04/32/95/378043295.db2.gz YBOHEFGBCKDMLJ-UHFFFAOYSA-N 3 2 299.462 2.196 20 30 CEEDLP C#CC[N@H+](C)CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000295117262 378043299 /nfs/dbraw/zinc/04/32/99/378043299.db2.gz YBOHEFGBCKDMLJ-UHFFFAOYSA-N 2 2 299.462 2.196 20 30 CEEDLP C#CC[N@@H+](C)CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000295117262 378043303 /nfs/dbraw/zinc/04/33/03/378043303.db2.gz YBOHEFGBCKDMLJ-UHFFFAOYSA-N 2 2 299.462 2.196 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449057579 378197292 /nfs/dbraw/zinc/19/72/92/378197292.db2.gz DDNAJIGMUJRWIV-CGZBRXJRSA-N 2 2 293.455 2.405 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449057579 378197298 /nfs/dbraw/zinc/19/72/98/378197298.db2.gz DDNAJIGMUJRWIV-CGZBRXJRSA-N 2 2 293.455 2.405 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393886 378211978 /nfs/dbraw/zinc/21/19/78/378211978.db2.gz MRSPKMWDNKGIHD-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393886 378211982 /nfs/dbraw/zinc/21/19/82/378211982.db2.gz MRSPKMWDNKGIHD-LSDHHAIUSA-N 2 2 254.418 2.168 20 30 CEEDLP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954565 394610212 /nfs/dbraw/zinc/61/02/12/394610212.db2.gz IJHVOHLAVQRISM-XQLPTFJDSA-N 2 2 289.427 2.140 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccsc1 ZINC000262011778 394610861 /nfs/dbraw/zinc/61/08/61/394610861.db2.gz UINHPCKGELTDNK-LLVKDONJSA-N 2 2 268.430 2.054 20 30 CEEDLP CC(C)(C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000262012766 394612548 /nfs/dbraw/zinc/61/25/48/394612548.db2.gz UYBKLSKFSDNXKI-UHFFFAOYSA-N 2 2 289.358 2.214 20 30 CEEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N1CCCC1 ZINC000262149006 394613252 /nfs/dbraw/zinc/61/32/52/394613252.db2.gz QXUYITFACHTXMZ-CYBMUJFWSA-N 2 2 280.441 2.022 20 30 CEEDLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1cccc2c1CCCC2 ZINC000262504813 394618864 /nfs/dbraw/zinc/61/88/64/394618864.db2.gz ZONJVGNXSUGVON-UHFFFAOYSA-N 2 2 283.379 2.189 20 30 CEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000361028126 394812474 /nfs/dbraw/zinc/81/24/74/394812474.db2.gz GVQCRYGYXKRZJW-VIQHNZTISA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000361028126 394812479 /nfs/dbraw/zinc/81/24/79/394812479.db2.gz GVQCRYGYXKRZJW-VIQHNZTISA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000423360456 394900406 /nfs/dbraw/zinc/90/04/06/394900406.db2.gz LLRCZWGPQOBQQA-ZETOZRRWSA-N 2 2 261.344 2.346 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423378199 394908361 /nfs/dbraw/zinc/90/83/61/394908361.db2.gz ZMNQVONSIXHBCU-LYRGGWFBSA-N 2 2 255.365 2.133 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987883 394999518 /nfs/dbraw/zinc/99/95/18/394999518.db2.gz UJXJPQWECWHXIS-HLLBOEOZSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987883 394999520 /nfs/dbraw/zinc/99/95/20/394999520.db2.gz UJXJPQWECWHXIS-HLLBOEOZSA-N 3 2 279.472 2.345 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000374291664 395079746 /nfs/dbraw/zinc/07/97/46/395079746.db2.gz LDFZYVZMTYBTDB-OAHLLOKOSA-N 2 2 264.413 2.186 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC#N ZINC000346813558 395108649 /nfs/dbraw/zinc/10/86/49/395108649.db2.gz YJCPILHVNQYYJD-GDBMZVCRSA-N 2 2 272.396 2.185 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC#N ZINC000346813558 395108651 /nfs/dbraw/zinc/10/86/51/395108651.db2.gz YJCPILHVNQYYJD-GDBMZVCRSA-N 2 2 272.396 2.185 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccn(C)n2)CC1 ZINC000349462013 395168054 /nfs/dbraw/zinc/16/80/54/395168054.db2.gz QXTATWWENKIBQS-CQSZACIVSA-N 2 2 262.401 2.111 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351388478 395213802 /nfs/dbraw/zinc/21/38/02/395213802.db2.gz RLJNLJWCFPUALC-AWEZNQCLSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351388478 395213806 /nfs/dbraw/zinc/21/38/06/395213806.db2.gz RLJNLJWCFPUALC-AWEZNQCLSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351388478 395213807 /nfs/dbraw/zinc/21/38/07/395213807.db2.gz RLJNLJWCFPUALC-AWEZNQCLSA-N 2 2 280.437 2.191 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351388478 395213811 /nfs/dbraw/zinc/21/38/11/395213811.db2.gz RLJNLJWCFPUALC-AWEZNQCLSA-N 2 2 280.437 2.191 20 30 CEEDLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000443956784 395407189 /nfs/dbraw/zinc/40/71/89/395407189.db2.gz ADHHHGYCFYIJBW-ZDUSSCGKSA-N 2 2 254.337 2.242 20 30 CEEDLP C=CC[N@@H+](C)CCN(CC)Cc1cc(OC)cc[nH+]1 ZINC000340208362 263093406 /nfs/dbraw/zinc/09/34/06/263093406.db2.gz LQIYWTNTBSPEAR-UHFFFAOYSA-N 2 2 263.385 2.030 20 30 CEEDLP C=CC[N@H+](C)CCN(CC)Cc1cc(OC)cc[nH+]1 ZINC000340208362 263093407 /nfs/dbraw/zinc/09/34/07/263093407.db2.gz LQIYWTNTBSPEAR-UHFFFAOYSA-N 2 2 263.385 2.030 20 30 CEEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289389171 263109784 /nfs/dbraw/zinc/10/97/84/263109784.db2.gz NIKFZJBMQUTUJV-CQSZACIVSA-N 2 2 267.376 2.134 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685669 277177424 /nfs/dbraw/zinc/17/74/24/277177424.db2.gz WFWSAPJQEFVEDN-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685669 277177425 /nfs/dbraw/zinc/17/74/25/277177425.db2.gz WFWSAPJQEFVEDN-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685669 277177427 /nfs/dbraw/zinc/17/74/27/277177427.db2.gz WFWSAPJQEFVEDN-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685669 277177428 /nfs/dbraw/zinc/17/74/28/277177428.db2.gz WFWSAPJQEFVEDN-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C=C(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414306940 328154416 /nfs/dbraw/zinc/15/44/16/328154416.db2.gz RRRYDYMOZWWUOJ-UHFFFAOYSA-N 2 2 270.380 2.289 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000414861383 328241689 /nfs/dbraw/zinc/24/16/89/328241689.db2.gz FIAZUXKTRROAFY-AWEZNQCLSA-N 2 2 276.380 2.102 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340887233 328402175 /nfs/dbraw/zinc/40/21/75/328402175.db2.gz ZFSMBTNKLQGLGI-AWEZNQCLSA-N 2 2 262.401 2.272 20 30 CEEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356869803 328864099 /nfs/dbraw/zinc/86/40/99/328864099.db2.gz NSCWBHIPXRVSDJ-LBPRGKRZSA-N 2 2 294.361 2.177 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367622675 328932838 /nfs/dbraw/zinc/93/28/38/328932838.db2.gz UXFNTUAVTISSML-AWEZNQCLSA-N 2 2 260.385 2.027 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)O1 ZINC000378453925 329051123 /nfs/dbraw/zinc/05/11/23/329051123.db2.gz OQDKDVFBPJDOQU-KLHDSHLOSA-N 2 2 288.395 2.103 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)O1 ZINC000378453927 329051315 /nfs/dbraw/zinc/05/13/15/329051315.db2.gz OQDKDVFBPJDOQU-WCVJEAGWSA-N 2 2 288.395 2.103 20 30 CEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000262369582 330011118 /nfs/dbraw/zinc/01/11/18/330011118.db2.gz WMIPCYMURFOAKB-CHWSQXEVSA-N 2 2 294.468 2.397 20 30 CEEDLP C=C(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423032513 330166297 /nfs/dbraw/zinc/16/62/97/330166297.db2.gz WBDVTWRPGMGILK-GDBMZVCRSA-N 2 2 260.381 2.056 20 30 CEEDLP CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000516965066 333088402 /nfs/dbraw/zinc/08/84/02/333088402.db2.gz IBHDLJITHFEDHW-CQSZACIVSA-N 2 2 262.401 2.284 20 30 CEEDLP CC(=NN1CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751516584 575290903 /nfs/dbraw/zinc/29/09/03/575290903.db2.gz KLNQMSZZXYXPIO-UHFFFAOYSA-N 2 2 297.406 2.152 20 30 CEEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237423 612972014 /nfs/dbraw/zinc/97/20/14/612972014.db2.gz ZFPDMVDOHIUELP-JKSUJKDBSA-N 2 2 299.418 2.271 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000677133079 624030973 /nfs/dbraw/zinc/03/09/73/624030973.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000677133079 624030978 /nfs/dbraw/zinc/03/09/78/624030978.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000677133079 624030984 /nfs/dbraw/zinc/03/09/84/624030984.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000677133079 624030992 /nfs/dbraw/zinc/03/09/92/624030992.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 2 278.440 2.223 20 30 CEEDLP C=CCCCCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000310660135 625796049 /nfs/dbraw/zinc/79/60/49/625796049.db2.gz FOFONEDVOROZQS-HUUCEWRRSA-N 2 2 254.418 2.480 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000328034575 627769014 /nfs/dbraw/zinc/76/90/14/627769014.db2.gz WAMBFUPXJRNXFH-ZFWWWQNUSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000328034575 627769019 /nfs/dbraw/zinc/76/90/19/627769019.db2.gz WAMBFUPXJRNXFH-ZFWWWQNUSA-N 2 2 260.381 2.448 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608957 628290929 /nfs/dbraw/zinc/29/09/29/628290929.db2.gz MORWGXKLTAAMCO-IKGGRYGDSA-N 3 2 291.483 2.393 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000902755331 634810433 /nfs/dbraw/zinc/81/04/33/634810433.db2.gz NOAWIZNRZFHQLO-CYBMUJFWSA-N 2 2 284.407 2.478 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000986427785 631239714 /nfs/dbraw/zinc/23/97/14/631239714.db2.gz UKCKUWQZEOXFGW-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986542481 631256630 /nfs/dbraw/zinc/25/66/30/631256630.db2.gz GQFUKUOISRXYBM-UONOGXRCSA-N 2 2 298.390 2.103 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034141 632026206 /nfs/dbraw/zinc/02/62/06/632026206.db2.gz JAFMCMJUJQREAY-OAHLLOKOSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034141 632026210 /nfs/dbraw/zinc/02/62/10/632026210.db2.gz JAFMCMJUJQREAY-OAHLLOKOSA-N 2 2 293.455 2.407 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1c(C)onc1CC ZINC000815652557 633043826 /nfs/dbraw/zinc/04/38/26/633043826.db2.gz HXVNTUKTKXRZIX-LBPRGKRZSA-N 2 2 263.385 2.151 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1c(C)onc1CC ZINC000815652557 633043831 /nfs/dbraw/zinc/04/38/31/633043831.db2.gz HXVNTUKTKXRZIX-LBPRGKRZSA-N 2 2 263.385 2.151 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000815652583 633044044 /nfs/dbraw/zinc/04/40/44/633044044.db2.gz JBXRQCCRPZXGIZ-CQSZACIVSA-N 2 2 291.414 2.497 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000815652583 633044046 /nfs/dbraw/zinc/04/40/46/633044046.db2.gz JBXRQCCRPZXGIZ-CQSZACIVSA-N 2 2 291.414 2.497 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000815652330 633044119 /nfs/dbraw/zinc/04/41/19/633044119.db2.gz YPWDIENXLJMHNP-MRXNPFEDSA-N 2 2 278.346 2.497 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000815652330 633044121 /nfs/dbraw/zinc/04/41/21/633044121.db2.gz YPWDIENXLJMHNP-MRXNPFEDSA-N 2 2 278.346 2.497 20 30 CEEDLP C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C[NH3+])C1CC1 ZINC000903452822 635137091 /nfs/dbraw/zinc/13/70/91/635137091.db2.gz RSSWQXZFVDRBOS-AWEZNQCLSA-N 2 2 263.772 2.381 20 30 CEEDLP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C[NH3+])C1CC1 ZINC000903452822 635137094 /nfs/dbraw/zinc/13/70/94/635137094.db2.gz RSSWQXZFVDRBOS-AWEZNQCLSA-N 2 2 263.772 2.381 20 30 CEEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CC[N@H+]2C)c(O)c1 ZINC000905003906 635774501 /nfs/dbraw/zinc/77/45/01/635774501.db2.gz XYFGHVPUJNLWOU-VUVCFOEZSA-N 2 2 275.396 2.361 20 30 CEEDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876943901 650499562 /nfs/dbraw/zinc/49/95/62/650499562.db2.gz WFROTSZHVNBQTP-LLVKDONJSA-N 2 2 278.787 2.038 20 30 CEEDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876943901 650499563 /nfs/dbraw/zinc/49/95/63/650499563.db2.gz WFROTSZHVNBQTP-LLVKDONJSA-N 2 2 278.787 2.038 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510253 640651948 /nfs/dbraw/zinc/65/19/48/640651948.db2.gz UFKDCPXOPPJRAK-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000993510253 640651952 /nfs/dbraw/zinc/65/19/52/640651952.db2.gz UFKDCPXOPPJRAK-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845498199 640987210 /nfs/dbraw/zinc/98/72/10/640987210.db2.gz VZPHWMSQTRBXEM-CABCVRRESA-N 2 2 291.395 2.111 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CC[NH+]1CCCC1 ZINC000921490116 641287733 /nfs/dbraw/zinc/28/77/33/641287733.db2.gz ZBQIYHDDTHYCPF-UHFFFAOYSA-N 2 2 257.381 2.361 20 30 CEEDLP C[C@H](C#N)OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852116784 643316186 /nfs/dbraw/zinc/31/61/86/643316186.db2.gz SWXGROFWAHWSRC-OAHLLOKOSA-N 2 2 287.407 2.169 20 30 CEEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000759155269 644989653 /nfs/dbraw/zinc/98/96/53/644989653.db2.gz ALGGAKKWCCRVJC-UHFFFAOYSA-N 2 2 284.338 2.448 20 30 CEEDLP Cc1c[nH+]ccc1N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000863158381 646656546 /nfs/dbraw/zinc/65/65/46/646656546.db2.gz ZSRLQPMWDAJGBW-UHFFFAOYSA-N 2 2 283.379 2.498 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000783300192 647707490 /nfs/dbraw/zinc/70/74/90/647707490.db2.gz KANHPABULCQGMB-UHFFFAOYSA-N 2 2 293.374 2.107 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866384168 647766585 /nfs/dbraw/zinc/76/65/85/647766585.db2.gz IFXSUXRTSPHUEX-SGMGOOAPSA-N 2 2 273.380 2.255 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000873280712 649623314 /nfs/dbraw/zinc/62/33/14/649623314.db2.gz VJIOYHXVMVOMBZ-KBPBESRZSA-N 2 2 254.418 2.335 20 30 CEEDLP C=C(C)[C@H](CO)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950307 651363875 /nfs/dbraw/zinc/36/38/75/651363875.db2.gz MLFAISUHKDHQOX-HNNXBMFYSA-N 2 2 266.429 2.264 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000883131173 652372512 /nfs/dbraw/zinc/37/25/12/652372512.db2.gz LJBAQUWKHXXCCI-UHFFFAOYSA-N 2 2 286.206 2.433 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000883131173 652372513 /nfs/dbraw/zinc/37/25/13/652372513.db2.gz LJBAQUWKHXXCCI-UHFFFAOYSA-N 2 2 286.206 2.433 20 30 CEEDLP C=CCC[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272049134 806381993 /nfs/dbraw/zinc/38/19/93/806381993.db2.gz NASJWCMRXLTJGZ-UHFFFAOYSA-N 2 2 286.379 2.143 20 30 CEEDLP C=CCC[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272049134 806382003 /nfs/dbraw/zinc/38/20/03/806382003.db2.gz NASJWCMRXLTJGZ-UHFFFAOYSA-N 2 2 286.379 2.143 20 30 CEEDLP C=CCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209160665 802478530 /nfs/dbraw/zinc/47/85/30/802478530.db2.gz AKPAYFNNVXWOCP-UHFFFAOYSA-N 2 2 274.412 2.261 20 30 CEEDLP C=CCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209160665 802478534 /nfs/dbraw/zinc/47/85/34/802478534.db2.gz AKPAYFNNVXWOCP-UHFFFAOYSA-N 2 2 274.412 2.261 20 30 CEEDLP C#CCC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001266422304 802555350 /nfs/dbraw/zinc/55/53/50/802555350.db2.gz YGTLNIDFQUHBJM-MRXNPFEDSA-N 2 2 299.418 2.128 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977771 805513299 /nfs/dbraw/zinc/51/32/99/805513299.db2.gz JCDJZISWBPVDOR-ZIAGYGMSSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977771 805513307 /nfs/dbraw/zinc/51/33/07/805513307.db2.gz JCDJZISWBPVDOR-ZIAGYGMSSA-N 2 2 292.427 2.039 20 30 CEEDLP N#CCC1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984370 805528790 /nfs/dbraw/zinc/52/87/90/805528790.db2.gz NUNGSGBBZIGDAJ-XYPWUTKMSA-N 2 2 259.397 2.237 20 30 CEEDLP N#CCC1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984370 805528795 /nfs/dbraw/zinc/52/87/95/805528795.db2.gz NUNGSGBBZIGDAJ-XYPWUTKMSA-N 2 2 259.397 2.237 20 30 CEEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001236868611 808182043 /nfs/dbraw/zinc/18/20/43/808182043.db2.gz OBNCCGKUZCHMMU-ZDUSSCGKSA-N 2 2 256.353 2.209 20 30 CEEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001236868611 808182045 /nfs/dbraw/zinc/18/20/45/808182045.db2.gz OBNCCGKUZCHMMU-ZDUSSCGKSA-N 2 2 256.353 2.209 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266044 812550609 /nfs/dbraw/zinc/55/06/09/812550609.db2.gz JQPLUBHETBUBEE-LBPRGKRZSA-N 2 2 286.379 2.237 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054797843 812650510 /nfs/dbraw/zinc/65/05/10/812650510.db2.gz MHLKWNFDUOWIPK-BLLLJJGKSA-N 2 2 298.390 2.189 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546177 813285766 /nfs/dbraw/zinc/28/57/66/813285766.db2.gz XCFFJMOJBBNWQY-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546177 813285772 /nfs/dbraw/zinc/28/57/72/813285772.db2.gz XCFFJMOJBBNWQY-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610443 813448520 /nfs/dbraw/zinc/44/85/20/813448520.db2.gz UGGZGYBVDLQXCJ-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610443 813448529 /nfs/dbraw/zinc/44/85/29/813448529.db2.gz UGGZGYBVDLQXCJ-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP CCCCCCCC[C@@H](O)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246019694 813663247 /nfs/dbraw/zinc/66/32/47/813663247.db2.gz JJKCYWIAUSLRLF-HZPDHXFCSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@@H](O)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246019694 813663254 /nfs/dbraw/zinc/66/32/54/813663254.db2.gz JJKCYWIAUSLRLF-HZPDHXFCSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@H](O)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246019692 813663445 /nfs/dbraw/zinc/66/34/45/813663445.db2.gz JJKCYWIAUSLRLF-HOTGVXAUSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@H](O)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246019692 813663452 /nfs/dbraw/zinc/66/34/52/813663452.db2.gz JJKCYWIAUSLRLF-HOTGVXAUSA-N 2 2 286.460 2.018 20 30 CEEDLP C#CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC001138340890 815771446 /nfs/dbraw/zinc/77/14/46/815771446.db2.gz DYMMQWMZVCPBHX-UHFFFAOYSA-N 2 2 290.407 2.091 20 30 CEEDLP C#CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC001138340890 815771453 /nfs/dbraw/zinc/77/14/53/815771453.db2.gz DYMMQWMZVCPBHX-UHFFFAOYSA-N 2 2 290.407 2.091 20 30 CEEDLP C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001140751472 816345440 /nfs/dbraw/zinc/34/54/40/816345440.db2.gz XWLBYDMAFFATPU-UHFFFAOYSA-N 2 2 279.334 2.362 20 30 CEEDLP C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001140751472 816345436 /nfs/dbraw/zinc/34/54/36/816345436.db2.gz XWLBYDMAFFATPU-UHFFFAOYSA-N 2 2 279.334 2.362 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356293703 370645148 /nfs/dbraw/zinc/64/51/48/370645148.db2.gz FIMDXTPIUQITRX-UHFFFAOYSA-N 2 2 275.381 2.042 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356293703 370645150 /nfs/dbraw/zinc/64/51/50/370645150.db2.gz FIMDXTPIUQITRX-UHFFFAOYSA-N 2 2 275.381 2.042 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000091633585 539227625 /nfs/dbraw/zinc/22/76/25/539227625.db2.gz SGPOQGYBRSTXJQ-GOEBONIOSA-N 2 2 293.455 2.145 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000091633585 539227626 /nfs/dbraw/zinc/22/76/26/539227626.db2.gz SGPOQGYBRSTXJQ-GOEBONIOSA-N 2 2 293.455 2.145 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000602000462 346954168 /nfs/dbraw/zinc/95/41/68/346954168.db2.gz ZLYADENPYLBXAX-UHFFFAOYSA-N 2 2 258.300 2.074 20 30 CEEDLP N#Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000151285591 344420262 /nfs/dbraw/zinc/42/02/62/344420262.db2.gz KBRLHALQBOTELS-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000602518843 347064334 /nfs/dbraw/zinc/06/43/34/347064334.db2.gz QXWDFTPHANFLDH-HNNXBMFYSA-N 2 2 290.411 2.352 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1C ZINC000594928124 345705483 /nfs/dbraw/zinc/70/54/83/345705483.db2.gz CTBPPISHZXNSGD-NSHDSACASA-N 2 2 254.337 2.451 20 30 CEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C#N)c1)C2 ZINC000595507981 345799325 /nfs/dbraw/zinc/79/93/25/345799325.db2.gz SNTYRUIOASKIDF-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C#N)c1)C2 ZINC000595507981 345799327 /nfs/dbraw/zinc/79/93/27/345799327.db2.gz SNTYRUIOASKIDF-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595507981 345799329 /nfs/dbraw/zinc/79/93/29/345799329.db2.gz SNTYRUIOASKIDF-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000595507981 345799333 /nfs/dbraw/zinc/79/93/33/345799333.db2.gz SNTYRUIOASKIDF-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000602594015 347092309 /nfs/dbraw/zinc/09/23/09/347092309.db2.gz OIASMVHRDWOVOI-GJZGRUSLSA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000602594015 347092312 /nfs/dbraw/zinc/09/23/12/347092312.db2.gz OIASMVHRDWOVOI-GJZGRUSLSA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000611243823 347757849 /nfs/dbraw/zinc/75/78/49/347757849.db2.gz ZXAUIENWLQOCNB-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000611243823 347757851 /nfs/dbraw/zinc/75/78/51/347757851.db2.gz ZXAUIENWLQOCNB-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623889165 350135295 /nfs/dbraw/zinc/13/52/95/350135295.db2.gz GDPCMLXDBDTBBT-DZGCQCFKSA-N 2 2 252.402 2.184 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123419117 187090647 /nfs/dbraw/zinc/09/06/47/187090647.db2.gz WRHFVWZPCAHATD-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123419117 187090648 /nfs/dbraw/zinc/09/06/48/187090648.db2.gz WRHFVWZPCAHATD-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123419117 187090649 /nfs/dbraw/zinc/09/06/49/187090649.db2.gz WRHFVWZPCAHATD-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123419117 187090650 /nfs/dbraw/zinc/09/06/50/187090650.db2.gz WRHFVWZPCAHATD-BBRMVZONSA-N 2 2 257.381 2.473 20 30 CEEDLP FC(F)(F)c1ccc(C#CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249349 540736433 /nfs/dbraw/zinc/73/64/33/540736433.db2.gz PVXSZBXRWOZOPH-KBPBESRZSA-N 2 2 294.320 2.208 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093770656 364224213 /nfs/dbraw/zinc/22/42/13/364224213.db2.gz IDVKHPTYJIRRBS-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093770656 364224216 /nfs/dbraw/zinc/22/42/16/364224216.db2.gz IDVKHPTYJIRRBS-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093770656 364224225 /nfs/dbraw/zinc/22/42/25/364224225.db2.gz IDVKHPTYJIRRBS-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093770656 364224230 /nfs/dbraw/zinc/22/42/30/364224230.db2.gz IDVKHPTYJIRRBS-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121035418 365514671 /nfs/dbraw/zinc/51/46/71/365514671.db2.gz RSXKRRYDXZRXFK-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121035418 365514678 /nfs/dbraw/zinc/51/46/78/365514678.db2.gz RSXKRRYDXZRXFK-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121035418 365514681 /nfs/dbraw/zinc/51/46/81/365514681.db2.gz RSXKRRYDXZRXFK-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121035418 365514686 /nfs/dbraw/zinc/51/46/86/365514686.db2.gz RSXKRRYDXZRXFK-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000582578134 366928269 /nfs/dbraw/zinc/92/82/69/366928269.db2.gz PSVPDZFLYVHQNS-YPMHNXCESA-N 2 2 287.392 2.294 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000582578134 366928275 /nfs/dbraw/zinc/92/82/75/366928275.db2.gz PSVPDZFLYVHQNS-YPMHNXCESA-N 2 2 287.392 2.294 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000174261198 368003560 /nfs/dbraw/zinc/00/35/60/368003560.db2.gz IKEWCFYJNBNLBG-UHFFFAOYSA-N 2 2 266.304 2.131 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348048242 368873993 /nfs/dbraw/zinc/87/39/93/368873993.db2.gz KTLPYSGNXHYRAG-LSDHHAIUSA-N 2 2 263.385 2.359 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348048242 368873996 /nfs/dbraw/zinc/87/39/96/368873996.db2.gz KTLPYSGNXHYRAG-LSDHHAIUSA-N 2 2 263.385 2.359 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349418381 369324635 /nfs/dbraw/zinc/32/46/35/369324635.db2.gz NNPCOGNBGZTDIQ-UHFFFAOYSA-N 2 2 251.399 2.393 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349418381 369324639 /nfs/dbraw/zinc/32/46/39/369324639.db2.gz NNPCOGNBGZTDIQ-UHFFFAOYSA-N 2 2 251.399 2.393 20 30 CEEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191425932 369711333 /nfs/dbraw/zinc/71/13/33/369711333.db2.gz UVMUGEDTAGHKOE-HNNXBMFYSA-N 2 2 283.379 2.066 20 30 CEEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191425932 369711340 /nfs/dbraw/zinc/71/13/40/369711340.db2.gz UVMUGEDTAGHKOE-HNNXBMFYSA-N 2 2 283.379 2.066 20 30 CEEDLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000234969663 370551967 /nfs/dbraw/zinc/55/19/67/370551967.db2.gz HONHEQNOELQRLX-DOMZBBRYSA-N 2 2 273.380 2.269 20 30 CEEDLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000234969663 370551971 /nfs/dbraw/zinc/55/19/71/370551971.db2.gz HONHEQNOELQRLX-DOMZBBRYSA-N 2 2 273.380 2.269 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248495930 371203132 /nfs/dbraw/zinc/20/31/32/371203132.db2.gz LCCDMUSFPAUUFU-USXIJHARSA-N 2 2 274.408 2.034 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248495930 371203139 /nfs/dbraw/zinc/20/31/39/371203139.db2.gz LCCDMUSFPAUUFU-USXIJHARSA-N 2 2 274.408 2.034 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264062293 371959456 /nfs/dbraw/zinc/95/94/56/371959456.db2.gz DCOFBHBQDOMNGV-NSHDSACASA-N 2 2 268.430 2.055 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC#N ZINC000273076452 373746973 /nfs/dbraw/zinc/74/69/73/373746973.db2.gz PNBMMPGIUPHSBE-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC#N ZINC000273076452 373746980 /nfs/dbraw/zinc/74/69/80/373746980.db2.gz PNBMMPGIUPHSBE-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247316 374452965 /nfs/dbraw/zinc/45/29/65/374452965.db2.gz PZYOTVLBFDMLTI-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247316 374452971 /nfs/dbraw/zinc/45/29/71/374452971.db2.gz PZYOTVLBFDMLTI-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000374584796 374605546 /nfs/dbraw/zinc/60/55/46/374605546.db2.gz JCOYOMVZVDLXJX-KRWDZBQOSA-N 2 2 299.418 2.152 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000374584796 374605553 /nfs/dbraw/zinc/60/55/53/374605553.db2.gz JCOYOMVZVDLXJX-KRWDZBQOSA-N 2 2 299.418 2.152 20 30 CEEDLP C#CCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754100 374629783 /nfs/dbraw/zinc/62/97/83/374629783.db2.gz XEVGTYWUTHMRIE-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP C#CCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754100 374629784 /nfs/dbraw/zinc/62/97/84/374629784.db2.gz XEVGTYWUTHMRIE-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278175623 374740716 /nfs/dbraw/zinc/74/07/16/374740716.db2.gz CVFIRHYIQVUPOE-OAHLLOKOSA-N 2 2 254.337 2.496 20 30 CEEDLP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422989179 376910025 /nfs/dbraw/zinc/91/00/25/376910025.db2.gz KQKAGVHGIIRXSV-CJNGLKHVSA-N 2 2 273.380 2.057 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304405 /nfs/dbraw/zinc/30/44/05/377304405.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304407 /nfs/dbraw/zinc/30/44/07/377304407.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304413 /nfs/dbraw/zinc/30/44/13/377304413.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304416 /nfs/dbraw/zinc/30/44/16/377304416.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 2 261.394 2.147 20 30 CEEDLP CC[NH+]1CCN(c2ccc([NH2+]CCC#N)c(C)c2)CC1 ZINC000564858407 377480437 /nfs/dbraw/zinc/48/04/37/377480437.db2.gz BMDBKWWJOWDQFC-UHFFFAOYSA-N 2 2 272.396 2.463 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000435741922 377811372 /nfs/dbraw/zinc/81/13/72/377811372.db2.gz ROOBFMBCKUXUJJ-CJNGLKHVSA-N 2 2 271.364 2.405 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449519837 378214966 /nfs/dbraw/zinc/21/49/66/378214966.db2.gz NXLWYOAZFUYKGR-CVEARBPZSA-N 2 2 269.348 2.305 20 30 CEEDLP C=CCOCC[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103085 394944238 /nfs/dbraw/zinc/94/42/38/394944238.db2.gz NUUQKIBNSYLQFC-SJORKVTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000339103085 394944242 /nfs/dbraw/zinc/94/42/42/394944242.db2.gz NUUQKIBNSYLQFC-SJORKVTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000339103085 394944245 /nfs/dbraw/zinc/94/42/45/394944245.db2.gz NUUQKIBNSYLQFC-SJORKVTESA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000339103085 394944249 /nfs/dbraw/zinc/94/42/49/394944249.db2.gz NUUQKIBNSYLQFC-SJORKVTESA-N 2 2 289.423 2.209 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373209208 395057069 /nfs/dbraw/zinc/05/70/69/395057069.db2.gz VTHKPMDJINNZLP-XUWVNRHRSA-N 2 2 279.428 2.158 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373209208 395057070 /nfs/dbraw/zinc/05/70/70/395057070.db2.gz VTHKPMDJINNZLP-XUWVNRHRSA-N 2 2 279.428 2.158 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccccc1 ZINC000373819183 395066243 /nfs/dbraw/zinc/06/62/43/395066243.db2.gz UYEIJJBZDQLVFV-QYZOEREBSA-N 2 2 298.430 2.222 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccccc1 ZINC000373819183 395066248 /nfs/dbraw/zinc/06/62/48/395066248.db2.gz UYEIJJBZDQLVFV-QYZOEREBSA-N 2 2 298.430 2.222 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000442713820 395391809 /nfs/dbraw/zinc/39/18/09/395391809.db2.gz XHNUYTLQGWOATE-CHWSQXEVSA-N 2 2 254.337 2.159 20 30 CEEDLP C=C(C)C[NH+]1CCC(NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000573507204 395610544 /nfs/dbraw/zinc/61/05/44/395610544.db2.gz VYTUGTJARMHATD-UHFFFAOYSA-N 2 2 262.401 2.157 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)CCCOC)C1 ZINC000651726305 401378641 /nfs/dbraw/zinc/37/86/41/401378641.db2.gz HYOANXVNKXQVAN-HUUCEWRRSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)CCCOC)C1 ZINC000651726305 401378646 /nfs/dbraw/zinc/37/86/46/401378646.db2.gz HYOANXVNKXQVAN-HUUCEWRRSA-N 2 2 254.418 2.289 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000558508410 298592311 /nfs/dbraw/zinc/59/23/11/298592311.db2.gz FSWGTDZROLEEMI-HOCLYGCPSA-N 2 2 278.359 2.347 20 30 CEEDLP C=CC[C@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC[NH2+]1 ZINC000662818217 414757624 /nfs/dbraw/zinc/75/76/24/414757624.db2.gz RUQHVHBJDHHPBB-MRXNPFEDSA-N 2 2 273.380 2.013 20 30 CEEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000078507068 177347878 /nfs/dbraw/zinc/34/78/78/177347878.db2.gz KGVYXTMWOYAERU-GJZGRUSLSA-N 2 2 287.407 2.147 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666766943 419421601 /nfs/dbraw/zinc/42/16/01/419421601.db2.gz LKJDMXXIGZQKIJ-HNNXBMFYSA-N 2 2 260.381 2.483 20 30 CEEDLP C=CC[C@H](CO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341286906 263329838 /nfs/dbraw/zinc/32/98/38/263329838.db2.gz YIGDGPWPHOYLOA-HNNXBMFYSA-N 2 2 271.364 2.147 20 30 CEEDLP CCCC[N@H+](C)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425267212 267005250 /nfs/dbraw/zinc/00/52/50/267005250.db2.gz KYCHBAHYTWWNDT-ZDUSSCGKSA-N 2 2 260.385 2.216 20 30 CEEDLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425267212 267005253 /nfs/dbraw/zinc/00/52/53/267005253.db2.gz KYCHBAHYTWWNDT-ZDUSSCGKSA-N 2 2 260.385 2.216 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000156277048 289192829 /nfs/dbraw/zinc/19/28/29/289192829.db2.gz PGYMFOCBVOSLDG-RISCZKNCSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000156277048 289192830 /nfs/dbraw/zinc/19/28/30/289192830.db2.gz PGYMFOCBVOSLDG-RISCZKNCSA-N 2 2 261.344 2.270 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000535316476 313390404 /nfs/dbraw/zinc/39/04/04/313390404.db2.gz GOBVPZIUDHOPEZ-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000535316476 313390408 /nfs/dbraw/zinc/39/04/08/313390408.db2.gz GOBVPZIUDHOPEZ-OAHLLOKOSA-N 2 2 296.374 2.160 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000360055901 329070650 /nfs/dbraw/zinc/07/06/50/329070650.db2.gz GCYCVXHYUWYKJQ-JONQDZQNSA-N 2 2 279.428 2.158 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857286 330157631 /nfs/dbraw/zinc/15/76/31/330157631.db2.gz GQMDDUCSNBXIKS-IXDOHACOSA-N 3 2 277.456 2.147 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422909391 330159807 /nfs/dbraw/zinc/15/98/07/330159807.db2.gz NXZBQQDBURHMET-HOCLYGCPSA-N 2 2 290.407 2.108 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453362802 331122762 /nfs/dbraw/zinc/12/27/62/331122762.db2.gz PPQQPTQASFAJHJ-DDBAPUKQSA-N 2 2 286.419 2.440 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453362802 331122763 /nfs/dbraw/zinc/12/27/63/331122763.db2.gz PPQQPTQASFAJHJ-DDBAPUKQSA-N 2 2 286.419 2.440 20 30 CEEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491630412 332253044 /nfs/dbraw/zinc/25/30/44/332253044.db2.gz MRWDTJJEQPAFAS-NSHDSACASA-N 2 2 262.319 2.405 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000248481559 334303755 /nfs/dbraw/zinc/30/37/55/334303755.db2.gz BGIGFKVRBOBWFI-USXIJHARSA-N 2 2 274.408 2.176 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248481559 334303756 /nfs/dbraw/zinc/30/37/56/334303756.db2.gz BGIGFKVRBOBWFI-USXIJHARSA-N 2 2 274.408 2.176 20 30 CEEDLP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000577364963 335342939 /nfs/dbraw/zinc/34/29/39/335342939.db2.gz KUDMFZKNURVWMY-ZDUSSCGKSA-N 2 2 262.401 2.282 20 30 CEEDLP C[C@H](CC[NH2+]C[C@@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000577948734 335433207 /nfs/dbraw/zinc/43/32/07/335433207.db2.gz XLCOEHUUNGONLD-HUUCEWRRSA-N 2 2 262.401 2.284 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000113311857 526742928 /nfs/dbraw/zinc/74/29/28/526742928.db2.gz XXSUOVDCXMKXTA-UHFFFAOYSA-N 2 2 283.375 2.465 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347058345 526860598 /nfs/dbraw/zinc/86/05/98/526860598.db2.gz WJHKJBYNBGDLBR-LBPRGKRZSA-N 2 2 264.369 2.039 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347058345 526860608 /nfs/dbraw/zinc/86/06/08/526860608.db2.gz WJHKJBYNBGDLBR-LBPRGKRZSA-N 2 2 264.369 2.039 20 30 CEEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000729681802 574490619 /nfs/dbraw/zinc/49/06/19/574490619.db2.gz JPEXEZCNCUORMT-HNNXBMFYSA-N 2 2 273.380 2.163 20 30 CEEDLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000729681802 574490620 /nfs/dbraw/zinc/49/06/20/574490620.db2.gz JPEXEZCNCUORMT-HNNXBMFYSA-N 2 2 273.380 2.163 20 30 CEEDLP CCCCCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748746289 575193860 /nfs/dbraw/zinc/19/38/60/575193860.db2.gz IJPSEDINFOJASS-UHFFFAOYSA-N 2 2 297.487 2.489 20 30 CEEDLP C=C(Cl)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000749461021 575221015 /nfs/dbraw/zinc/22/10/15/575221015.db2.gz STRGHKQIHVCFSF-UHFFFAOYSA-N 2 2 285.863 2.229 20 30 CEEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969969505 613483519 /nfs/dbraw/zinc/48/35/19/613483519.db2.gz CCGDMHKFTPGYSH-GFCCVEGCSA-N 2 2 298.390 2.189 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000051814402 624595125 /nfs/dbraw/zinc/59/51/25/624595125.db2.gz JNUZGOLPBZOOQO-UHFFFAOYSA-N 2 2 253.349 2.305 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000820845926 634548717 /nfs/dbraw/zinc/54/87/17/634548717.db2.gz AXNGGJLFFNKKRM-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000820845926 634548719 /nfs/dbraw/zinc/54/87/19/634548719.db2.gz AXNGGJLFFNKKRM-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000892880848 627827905 /nfs/dbraw/zinc/82/79/05/627827905.db2.gz LRQZKQGIMUWULK-UHFFFAOYSA-N 2 2 288.439 2.428 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902434345 634655409 /nfs/dbraw/zinc/65/54/09/634655409.db2.gz NQFSOHBYCBDTHG-UIBBOPPKSA-N 2 2 255.365 2.283 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000902446447 634669399 /nfs/dbraw/zinc/66/93/99/634669399.db2.gz OSLGRNKQNIEAFS-BFHYXJOUSA-N 2 2 290.436 2.415 20 30 CEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902756332 634811920 /nfs/dbraw/zinc/81/19/20/634811920.db2.gz XIALNPSMAVDPAB-UONOGXRCSA-N 2 2 272.396 2.336 20 30 CEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000809995028 632166293 /nfs/dbraw/zinc/16/62/93/632166293.db2.gz JOVRWAAQTMRJMR-CQSZACIVSA-N 2 2 289.379 2.162 20 30 CEEDLP CCO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000926961388 632389205 /nfs/dbraw/zinc/38/92/05/632389205.db2.gz OILSSOVNKJQMIF-CZUORRHYSA-N 2 2 275.396 2.176 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652567 633044024 /nfs/dbraw/zinc/04/40/24/633044024.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 2 299.462 2.052 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652567 633044029 /nfs/dbraw/zinc/04/40/29/633044029.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 2 299.462 2.052 20 30 CEEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000817942295 633789537 /nfs/dbraw/zinc/78/95/37/633789537.db2.gz NRNWCCIIGMZACO-JLJPHGGASA-N 2 2 286.423 2.424 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000817983934 633826297 /nfs/dbraw/zinc/82/62/97/633826297.db2.gz MABCTPNAVJSCFM-GDBMZVCRSA-N 2 2 272.392 2.491 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000819022519 634042571 /nfs/dbraw/zinc/04/25/71/634042571.db2.gz QANZDDHRKFBWAY-QGZVFWFLSA-N 2 2 274.408 2.268 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903057012 634949112 /nfs/dbraw/zinc/94/91/12/634949112.db2.gz YVXYWHHXZJSJMG-TZMCWYRMSA-N 2 2 257.337 2.070 20 30 CEEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CC[N@H+]2C)c(O)c1 ZINC000905003904 635774955 /nfs/dbraw/zinc/77/49/55/635774955.db2.gz XYFGHVPUJNLWOU-QAEAHILHSA-N 2 2 275.396 2.361 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000877009419 650529824 /nfs/dbraw/zinc/52/98/24/650529824.db2.gz LRGGSOZRKTVWMN-UHFFFAOYSA-N 2 2 260.381 2.441 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000877154694 650600061 /nfs/dbraw/zinc/60/00/61/650600061.db2.gz XDWAUEKULUVVJR-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000877154694 650600066 /nfs/dbraw/zinc/60/00/66/650600066.db2.gz XDWAUEKULUVVJR-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000237574703 641354053 /nfs/dbraw/zinc/35/40/53/641354053.db2.gz MUJVGNFLCRHZAO-HIFRSBDPSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000237574703 641354056 /nfs/dbraw/zinc/35/40/56/641354056.db2.gz MUJVGNFLCRHZAO-HIFRSBDPSA-N 2 2 273.380 2.161 20 30 CEEDLP C#CCSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180177279 641424015 /nfs/dbraw/zinc/42/40/15/641424015.db2.gz DOUBFDAVRAZLCU-UHFFFAOYSA-N 2 2 294.386 2.359 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929589 642199167 /nfs/dbraw/zinc/19/91/67/642199167.db2.gz HTEAALTYNIXMIU-LJQANCHMSA-N 2 2 298.430 2.355 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929589 642199171 /nfs/dbraw/zinc/19/91/71/642199171.db2.gz HTEAALTYNIXMIU-LJQANCHMSA-N 2 2 298.430 2.355 20 30 CEEDLP CC[C@H](C)[NH2+][C@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000849026566 642239184 /nfs/dbraw/zinc/23/91/84/642239184.db2.gz ATQWUUFEDAPXHO-QWHCGFSZSA-N 2 2 280.416 2.188 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+](C)CCC[NH+](C)C ZINC000877522615 650765082 /nfs/dbraw/zinc/76/50/82/650765082.db2.gz PIJOJWQWPUBFJF-UHFFFAOYSA-N 2 2 274.412 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000877522615 650765085 /nfs/dbraw/zinc/76/50/85/650765085.db2.gz PIJOJWQWPUBFJF-UHFFFAOYSA-N 2 2 274.412 2.008 20 30 CEEDLP C#CCCCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000877641943 650830411 /nfs/dbraw/zinc/83/04/11/650830411.db2.gz MHORGOUWGBWBPW-UHFFFAOYSA-N 2 2 274.412 2.126 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742435 650886953 /nfs/dbraw/zinc/88/69/53/650886953.db2.gz PKRZRTGCRBEHFY-HZPDHXFCSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742435 650886960 /nfs/dbraw/zinc/88/69/60/650886960.db2.gz PKRZRTGCRBEHFY-HZPDHXFCSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877742435 650886964 /nfs/dbraw/zinc/88/69/64/650886964.db2.gz PKRZRTGCRBEHFY-HZPDHXFCSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877742435 650886971 /nfs/dbraw/zinc/88/69/71/650886971.db2.gz PKRZRTGCRBEHFY-HZPDHXFCSA-N 2 2 285.391 2.093 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000128133641 651374740 /nfs/dbraw/zinc/37/47/40/651374740.db2.gz BWOBGTIPPNPBNI-BXUZGUMPSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000128133641 651374741 /nfs/dbraw/zinc/37/47/41/651374741.db2.gz BWOBGTIPPNPBNI-BXUZGUMPSA-N 2 2 261.344 2.270 20 30 CEEDLP C=C1CCC(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000724440828 803115156 /nfs/dbraw/zinc/11/51/56/803115156.db2.gz KPZHAZFABDJJDS-ZFWWWQNUSA-N 2 2 252.402 2.089 20 30 CEEDLP C=C1CCC(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000724440826 803115364 /nfs/dbraw/zinc/11/53/64/803115364.db2.gz KPZHAZFABDJJDS-HIFRSBDPSA-N 2 2 252.402 2.089 20 30 CEEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027884447 804318730 /nfs/dbraw/zinc/31/87/30/804318730.db2.gz ZYMVKJQCLXJKEK-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027884447 804318741 /nfs/dbraw/zinc/31/87/41/804318741.db2.gz ZYMVKJQCLXJKEK-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[NH2+]CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001272935290 808954028 /nfs/dbraw/zinc/95/40/28/808954028.db2.gz FAFTVODKDSACHG-AWEZNQCLSA-N 2 2 298.390 2.156 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450758112 808962187 /nfs/dbraw/zinc/96/21/87/808962187.db2.gz NMLGYQVHKABQPT-HZPDHXFCSA-N 2 2 293.455 2.407 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450758112 808962190 /nfs/dbraw/zinc/96/21/90/808962190.db2.gz NMLGYQVHKABQPT-HZPDHXFCSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001172293341 815384049 /nfs/dbraw/zinc/38/40/49/815384049.db2.gz VREMKQFEZCQMAC-CQSZACIVSA-N 2 2 268.364 2.366 20 30 CEEDLP C[C@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172487327 815430400 /nfs/dbraw/zinc/43/04/00/815430400.db2.gz ARTMXLJDWFVFPI-CJNGLKHVSA-N 2 2 257.381 2.454 20 30 CEEDLP C[C@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172487327 815430405 /nfs/dbraw/zinc/43/04/05/815430405.db2.gz ARTMXLJDWFVFPI-CJNGLKHVSA-N 2 2 257.381 2.454 20 30 CEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC001169116553 811383645 /nfs/dbraw/zinc/38/36/45/811383645.db2.gz RBCRHUDPBRWCAS-CLLJXQQHSA-N 2 2 261.394 2.335 20 30 CEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC001169116553 811383657 /nfs/dbraw/zinc/38/36/57/811383657.db2.gz RBCRHUDPBRWCAS-CLLJXQQHSA-N 2 2 261.394 2.335 20 30 CEEDLP C=CCCC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131562863 812688244 /nfs/dbraw/zinc/68/82/44/812688244.db2.gz NBJYMZJBEMKEBB-UHFFFAOYSA-N 2 2 275.396 2.292 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(F)cccc1F ZINC000392829934 813309003 /nfs/dbraw/zinc/30/90/03/813309003.db2.gz FAKLSFZZNUYIMY-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1F ZINC000392829934 813309011 /nfs/dbraw/zinc/30/90/11/813309011.db2.gz FAKLSFZZNUYIMY-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C=C[C@H](COC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001116640461 814872109 /nfs/dbraw/zinc/87/21/09/814872109.db2.gz RMGWXBGODFMAHV-LLVKDONJSA-N 2 2 263.366 2.224 20 30 CEEDLP C=CCOC1CCC([NH2+]CCc2[nH+]ccn2C)CC1 ZINC001173319737 815693225 /nfs/dbraw/zinc/69/32/25/815693225.db2.gz UFAWHJDENUTXQI-UHFFFAOYSA-N 2 2 263.385 2.066 20 30 CEEDLP CSc1nc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1C#N ZINC001206622938 816373946 /nfs/dbraw/zinc/37/39/46/816373946.db2.gz JEVOIHMYTFPJQO-LBPRGKRZSA-N 2 2 290.436 2.236 20 30 CEEDLP CSc1nc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1C#N ZINC001206622938 816373953 /nfs/dbraw/zinc/37/39/53/816373953.db2.gz JEVOIHMYTFPJQO-LBPRGKRZSA-N 2 2 290.436 2.236 20 30 CEEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141644 816833944 /nfs/dbraw/zinc/83/39/44/816833944.db2.gz FXBDINWDGRKTDK-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CCCC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689655 816889893 /nfs/dbraw/zinc/88/98/93/816889893.db2.gz IFGQGGVZUFIYBN-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP C[C@H]([NH2+]CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657275 365751946 /nfs/dbraw/zinc/75/19/46/365751946.db2.gz POQLDWGYIKMRRO-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]([NH2+]CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657275 365751951 /nfs/dbraw/zinc/75/19/51/365751951.db2.gz POQLDWGYIKMRRO-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602514624 347063409 /nfs/dbraw/zinc/06/34/09/347063409.db2.gz OQPWKOMSHRVSRE-HUUCEWRRSA-N 2 2 286.423 2.411 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000602562913 347079488 /nfs/dbraw/zinc/07/94/88/347079488.db2.gz IIFIATWLYIAOOV-GOEBONIOSA-N 2 2 291.439 2.159 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000602562913 347079491 /nfs/dbraw/zinc/07/94/91/347079491.db2.gz IIFIATWLYIAOOV-GOEBONIOSA-N 2 2 291.439 2.159 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000591570856 345264677 /nfs/dbraw/zinc/26/46/77/345264677.db2.gz XRTYPUROAYZVDW-PBWFPOADSA-N 2 2 259.328 2.070 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)c1 ZINC000593704048 345524784 /nfs/dbraw/zinc/52/47/84/345524784.db2.gz YHMLAXZUVACBKB-SFHVURJKSA-N 2 2 299.418 2.291 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000594496367 345638164 /nfs/dbraw/zinc/63/81/64/345638164.db2.gz LPHPSIQSESTPJZ-KBXCAEBGSA-N 2 2 299.418 2.462 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000595907193 345911181 /nfs/dbraw/zinc/91/11/81/345911181.db2.gz SJEGCHRLEJJZLB-ZDUSSCGKSA-N 2 2 293.436 2.162 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000595907193 345911185 /nfs/dbraw/zinc/91/11/85/345911185.db2.gz SJEGCHRLEJJZLB-ZDUSSCGKSA-N 2 2 293.436 2.162 20 30 CEEDLP N#CC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000597177953 346141855 /nfs/dbraw/zinc/14/18/55/346141855.db2.gz SKEVXFPEQDFBLN-ZDUSSCGKSA-N 2 2 254.337 2.460 20 30 CEEDLP N#CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000597177953 346141857 /nfs/dbraw/zinc/14/18/57/346141857.db2.gz SKEVXFPEQDFBLN-ZDUSSCGKSA-N 2 2 254.337 2.460 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000598680022 346399287 /nfs/dbraw/zinc/39/92/87/346399287.db2.gz QNBIEQSHHCORSB-MRXNPFEDSA-N 2 2 255.365 2.134 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000598680022 346399291 /nfs/dbraw/zinc/39/92/91/346399291.db2.gz QNBIEQSHHCORSB-MRXNPFEDSA-N 2 2 255.365 2.134 20 30 CEEDLP Cc1cc(C[NH+]2CCC([NH+]3CCOCC3)CC2)ccc1C#N ZINC000599471840 346526101 /nfs/dbraw/zinc/52/61/01/346526101.db2.gz DGGGZXDDQQKYFI-UHFFFAOYSA-N 2 2 299.418 2.163 20 30 CEEDLP N#Cc1ccc2[nH+]cc(Cn3c[nH+]c4c3CCCC4)n2c1 ZINC000600179144 346616462 /nfs/dbraw/zinc/61/64/62/346616462.db2.gz KMQZQTXOOBLSNP-UHFFFAOYSA-N 2 2 277.331 2.330 20 30 CEEDLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600774576 346687772 /nfs/dbraw/zinc/68/77/72/346687772.db2.gz RRQREJQIPQDLER-INIZCTEOSA-N 2 2 271.408 2.484 20 30 CEEDLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600774576 346687776 /nfs/dbraw/zinc/68/77/76/346687776.db2.gz RRQREJQIPQDLER-INIZCTEOSA-N 2 2 271.408 2.484 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602647801 347123112 /nfs/dbraw/zinc/12/31/12/347123112.db2.gz NPZMGTNBLFAFJX-CQSZACIVSA-N 2 2 272.396 2.452 20 30 CEEDLP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000602720415 347169707 /nfs/dbraw/zinc/16/97/07/347169707.db2.gz ZWUBRWUZIUQLQZ-UHFFFAOYSA-N 2 2 293.455 2.285 20 30 CEEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000612588224 347905117 /nfs/dbraw/zinc/90/51/17/347905117.db2.gz SSFRIFCPDREVIT-UHFFFAOYSA-N 2 2 272.396 2.185 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000404669167 233193706 /nfs/dbraw/zinc/19/37/06/233193706.db2.gz BNJWAMVDJRQUIS-UHFFFAOYSA-N 2 2 273.355 2.414 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000092253885 180353232 /nfs/dbraw/zinc/35/32/32/180353232.db2.gz OKVKJYMJRLTPJL-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000092253885 180353234 /nfs/dbraw/zinc/35/32/34/180353234.db2.gz OKVKJYMJRLTPJL-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1cc(C#N)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253885 180353236 /nfs/dbraw/zinc/35/32/36/180353236.db2.gz OKVKJYMJRLTPJL-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1cc(C#N)cs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253885 180353238 /nfs/dbraw/zinc/35/32/38/180353238.db2.gz OKVKJYMJRLTPJL-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253886 180353722 /nfs/dbraw/zinc/35/37/22/180353722.db2.gz OKVKJYMJRLTPJL-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253886 180353723 /nfs/dbraw/zinc/35/37/23/180353723.db2.gz OKVKJYMJRLTPJL-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1cc(C#N)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253886 180353724 /nfs/dbraw/zinc/35/37/24/180353724.db2.gz OKVKJYMJRLTPJL-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1cc(C#N)cs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253886 180353726 /nfs/dbraw/zinc/35/37/26/180353726.db2.gz OKVKJYMJRLTPJL-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629394820 351349635 /nfs/dbraw/zinc/34/96/35/351349635.db2.gz MJBZSXPIUJSBOF-DZGCQCFKSA-N 2 2 260.381 2.482 20 30 CEEDLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C#N)cc1 ZINC000070143216 363035426 /nfs/dbraw/zinc/03/54/26/363035426.db2.gz AQWDJHDWXLXNLP-LBPRGKRZSA-N 2 2 283.379 2.209 20 30 CEEDLP C#CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132224271 366128047 /nfs/dbraw/zinc/12/80/47/366128047.db2.gz GQUIDANDASOIKP-WBVHZDCISA-N 2 2 256.393 2.305 20 30 CEEDLP C#CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132224271 366128049 /nfs/dbraw/zinc/12/80/49/366128049.db2.gz GQUIDANDASOIKP-WBVHZDCISA-N 2 2 256.393 2.305 20 30 CEEDLP N#CC1(c2ccccc2)CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000086037472 283049596 /nfs/dbraw/zinc/04/95/96/283049596.db2.gz VLVVWUDEHGQPDJ-UHFFFAOYSA-N 2 2 266.348 2.097 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000151066549 366616312 /nfs/dbraw/zinc/61/63/12/366616312.db2.gz XYWBKCYTJHMNPK-DOMZBBRYSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N ZINC000151066549 366616316 /nfs/dbraw/zinc/61/63/16/366616316.db2.gz XYWBKCYTJHMNPK-DOMZBBRYSA-N 2 2 285.391 2.282 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151068901 366616400 /nfs/dbraw/zinc/61/64/00/366616400.db2.gz TUHCQWKORIODMX-GDBMZVCRSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151068901 366616405 /nfs/dbraw/zinc/61/64/05/366616405.db2.gz TUHCQWKORIODMX-GDBMZVCRSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151068857 366616440 /nfs/dbraw/zinc/61/64/40/366616440.db2.gz TUHCQWKORIODMX-HOCLYGCPSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151068857 366616446 /nfs/dbraw/zinc/61/64/46/366616446.db2.gz TUHCQWKORIODMX-HOCLYGCPSA-N 2 2 284.403 2.413 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000177914047 189078963 /nfs/dbraw/zinc/07/89/63/189078963.db2.gz FZYNBGOXOSMQDS-HNNXBMFYSA-N 2 2 274.412 2.038 20 30 CEEDLP COCC#CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679952742 541342776 /nfs/dbraw/zinc/34/27/76/541342776.db2.gz LQNWVUPXKOHCLU-UHFFFAOYSA-N 2 2 275.396 2.025 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356869801 370799483 /nfs/dbraw/zinc/79/94/83/370799483.db2.gz NSCWBHIPXRVSDJ-GFCCVEGCSA-N 2 2 294.361 2.177 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000582578132 366928532 /nfs/dbraw/zinc/92/85/32/366928532.db2.gz PSVPDZFLYVHQNS-DGCLKSJQSA-N 2 2 287.392 2.294 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000582578132 366928537 /nfs/dbraw/zinc/92/85/37/366928537.db2.gz PSVPDZFLYVHQNS-DGCLKSJQSA-N 2 2 287.392 2.294 20 30 CEEDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487709 367354074 /nfs/dbraw/zinc/35/40/74/367354074.db2.gz PMGFZISFWVLZHJ-CJNGLKHVSA-N 2 2 257.381 2.031 20 30 CEEDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487709 367354078 /nfs/dbraw/zinc/35/40/78/367354078.db2.gz PMGFZISFWVLZHJ-CJNGLKHVSA-N 2 2 257.381 2.031 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246002018 370898227 /nfs/dbraw/zinc/89/82/27/370898227.db2.gz OZJVNOCTAJAZBP-GJZGRUSLSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000246002018 370898234 /nfs/dbraw/zinc/89/82/34/370898234.db2.gz OZJVNOCTAJAZBP-GJZGRUSLSA-N 2 2 273.355 2.414 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186710555 369024978 /nfs/dbraw/zinc/02/49/78/369024978.db2.gz SJDPJVVBZGVRIN-UKRRQHHQSA-N 2 2 271.364 2.460 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000331673060 204062593 /nfs/dbraw/zinc/06/25/93/204062593.db2.gz ZBQACESZXOQPNJ-LBPRGKRZSA-N 2 2 272.377 2.483 20 30 CEEDLP CC(C)(C)NC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264080842 371964480 /nfs/dbraw/zinc/96/44/80/371964480.db2.gz IMNSPYYLWZERLY-UHFFFAOYSA-N 2 2 285.395 2.134 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264080827 371965145 /nfs/dbraw/zinc/96/51/45/371965145.db2.gz HDVGUVZLRPBGAE-BXUZGUMPSA-N 2 2 280.391 2.131 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264091697 371967271 /nfs/dbraw/zinc/96/72/71/371967271.db2.gz LEOLAKORNOPMMY-UHFFFAOYSA-N 2 2 299.422 2.382 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000268922854 372289481 /nfs/dbraw/zinc/28/94/81/372289481.db2.gz XAAVITVMQBDRQL-LLVKDONJSA-N 2 2 251.399 2.444 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613431 373167738 /nfs/dbraw/zinc/16/77/38/373167738.db2.gz FNHXZXSCENXGGJ-KURKYZTESA-N 3 2 291.483 2.489 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613431 373167743 /nfs/dbraw/zinc/16/77/43/373167743.db2.gz FNHXZXSCENXGGJ-KURKYZTESA-N 3 2 291.483 2.489 20 30 CEEDLP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C#N ZINC000370110290 373582658 /nfs/dbraw/zinc/58/26/58/373582658.db2.gz GAAXLDKXGQCVTO-UHFFFAOYSA-N 2 2 272.396 2.003 20 30 CEEDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414811476 375998310 /nfs/dbraw/zinc/99/83/10/375998310.db2.gz JEVFXMLZIUABQA-AWEZNQCLSA-N 2 2 261.369 2.174 20 30 CEEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000290004109 376597537 /nfs/dbraw/zinc/59/75/37/376597537.db2.gz ZHFHHHMLGHHEHR-OAHLLOKOSA-N 2 2 294.826 2.441 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000328782043 376898159 /nfs/dbraw/zinc/89/81/59/376898159.db2.gz MZWSDCXBVUTEKV-UHFFFAOYSA-N 2 2 276.384 2.173 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875614 378010743 /nfs/dbraw/zinc/01/07/43/378010743.db2.gz PIFQQOZHEKHPQP-UWLZSVRSSA-N 2 2 261.413 2.389 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875614 378010746 /nfs/dbraw/zinc/01/07/46/378010746.db2.gz PIFQQOZHEKHPQP-UWLZSVRSSA-N 2 2 261.413 2.389 20 30 CEEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294979735 378033071 /nfs/dbraw/zinc/03/30/71/378033071.db2.gz KMQYHAGCOOPPCG-MRXNPFEDSA-N 2 2 282.391 2.044 20 30 CEEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294979735 378033075 /nfs/dbraw/zinc/03/30/75/378033075.db2.gz KMQYHAGCOOPPCG-MRXNPFEDSA-N 2 2 282.391 2.044 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000295123588 378043011 /nfs/dbraw/zinc/04/30/11/378043011.db2.gz YYYLXZFXZPQLOC-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000295123588 378043016 /nfs/dbraw/zinc/04/30/16/378043016.db2.gz YYYLXZFXZPQLOC-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000294859717 378023254 /nfs/dbraw/zinc/02/32/54/378023254.db2.gz BWUYTWZZHOLDJO-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000294859717 378023260 /nfs/dbraw/zinc/02/32/60/378023260.db2.gz BWUYTWZZHOLDJO-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385629 378207476 /nfs/dbraw/zinc/20/74/76/378207476.db2.gz GMEPTNNHSRFNQD-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385629 378207481 /nfs/dbraw/zinc/20/74/81/378207481.db2.gz GMEPTNNHSRFNQD-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000299189797 378928891 /nfs/dbraw/zinc/92/88/91/378928891.db2.gz CKCIRBBXOKKOPB-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000299189797 378928899 /nfs/dbraw/zinc/92/88/99/378928899.db2.gz CKCIRBBXOKKOPB-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000491694436 380345132 /nfs/dbraw/zinc/34/51/32/380345132.db2.gz FOGUEKVQUBIBQR-OAHLLOKOSA-N 2 2 257.381 2.047 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000554834310 380797982 /nfs/dbraw/zinc/79/79/82/380797982.db2.gz XWMSLFFKNLEKIH-OAHLLOKOSA-N 2 2 297.406 2.079 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000335306149 208151288 /nfs/dbraw/zinc/15/12/88/208151288.db2.gz HIKOWAQBGQDCRS-LBPRGKRZSA-N 2 2 270.311 2.068 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(F)c1 ZINC000335306149 208151292 /nfs/dbraw/zinc/15/12/92/208151292.db2.gz HIKOWAQBGQDCRS-LBPRGKRZSA-N 2 2 270.311 2.068 20 30 CEEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000041119555 394500446 /nfs/dbraw/zinc/50/04/46/394500446.db2.gz COEKOVREOKWZMJ-CYBMUJFWSA-N 2 2 270.336 2.136 20 30 CEEDLP O=C(CCc1[nH]cc[nH+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000329523498 394569718 /nfs/dbraw/zinc/56/97/18/394569718.db2.gz RPEGAULHLSJGQJ-UHFFFAOYSA-N 2 2 276.384 2.316 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246607611 394518999 /nfs/dbraw/zinc/51/89/99/394518999.db2.gz GNXPJYLBNIYRPQ-RDJZCZTQSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246607611 394519001 /nfs/dbraw/zinc/51/90/01/394519001.db2.gz GNXPJYLBNIYRPQ-RDJZCZTQSA-N 2 2 299.418 2.273 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)C1CCCCC1 ZINC000271240405 394753714 /nfs/dbraw/zinc/75/37/14/394753714.db2.gz YHAXGUBKAOMWQV-UHFFFAOYSA-N 2 2 264.373 2.451 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2conc2CC)CC1 ZINC000339243074 394954654 /nfs/dbraw/zinc/95/46/54/394954654.db2.gz VJFBIRWBDGYGMU-UHFFFAOYSA-N 2 2 263.385 2.367 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367619900 394966959 /nfs/dbraw/zinc/96/69/59/394966959.db2.gz PSJFEKVBTDHPKL-ZACQAIPSSA-N 3 2 277.456 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367619900 394966962 /nfs/dbraw/zinc/96/69/62/394966962.db2.gz PSJFEKVBTDHPKL-ZACQAIPSSA-N 3 2 277.456 2.099 20 30 CEEDLP Cc1cc(NCCCCC[NH+]2CCCC2)c(C#N)c[nH+]1 ZINC000425267392 395055524 /nfs/dbraw/zinc/05/55/24/395055524.db2.gz LKWVONOPXWTJQH-UHFFFAOYSA-N 2 2 272.396 2.362 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000290425157 395102027 /nfs/dbraw/zinc/10/20/27/395102027.db2.gz RHTRPAGGRBFUFF-CZUORRHYSA-N 2 2 254.377 2.383 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000290425157 395102030 /nfs/dbraw/zinc/10/20/30/395102030.db2.gz RHTRPAGGRBFUFF-CZUORRHYSA-N 2 2 254.377 2.383 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000346142135 395088600 /nfs/dbraw/zinc/08/86/00/395088600.db2.gz OQGRNIDGGHFRFL-LBPRGKRZSA-N 2 2 269.352 2.310 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000346142135 395088601 /nfs/dbraw/zinc/08/86/01/395088601.db2.gz OQGRNIDGGHFRFL-LBPRGKRZSA-N 2 2 269.352 2.310 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000290434596 395103647 /nfs/dbraw/zinc/10/36/47/395103647.db2.gz RWVBCONPRCHTEQ-LBPRGKRZSA-N 2 2 295.452 2.327 20 30 CEEDLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000443967093 395406498 /nfs/dbraw/zinc/40/64/98/395406498.db2.gz TXJUZJPEXYXBIB-CYBMUJFWSA-N 2 2 268.364 2.489 20 30 CEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]CC(C)(C)CCC#N ZINC000347772429 286809654 /nfs/dbraw/zinc/80/96/54/286809654.db2.gz ASFDZZGTRKLRKJ-AWEZNQCLSA-N 2 2 267.417 2.017 20 30 CEEDLP C=CCCn1cc(C[N@H+](CCC[NH3+])CC2CCCC2)nn1 ZINC000655938722 415560560 /nfs/dbraw/zinc/56/05/60/415560560.db2.gz CYSWIVCZPFIQFS-UHFFFAOYSA-N 2 2 291.443 2.195 20 30 CEEDLP C=CCCn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)nn1 ZINC000655938722 415560564 /nfs/dbraw/zinc/56/05/64/415560564.db2.gz CYSWIVCZPFIQFS-UHFFFAOYSA-N 2 2 291.443 2.195 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000364030709 262106180 /nfs/dbraw/zinc/10/61/80/262106180.db2.gz QVSBUEGYPJEMCH-MCIONIFRSA-N 2 2 258.369 2.178 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705313 262264150 /nfs/dbraw/zinc/26/41/50/262264150.db2.gz QGXLXCXZEKZBJS-INIZCTEOSA-N 2 2 265.360 2.391 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705313 262264152 /nfs/dbraw/zinc/26/41/52/262264152.db2.gz QGXLXCXZEKZBJS-INIZCTEOSA-N 2 2 265.360 2.391 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC2CCCC2)cc1 ZINC000273425975 263016691 /nfs/dbraw/zinc/01/66/91/263016691.db2.gz JBINKXGDXLFALT-UHFFFAOYSA-N 2 2 261.369 2.328 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000368051486 267143104 /nfs/dbraw/zinc/14/31/04/267143104.db2.gz MZLHWLLGIRIVSQ-KRWDZBQOSA-N 2 2 271.408 2.293 20 30 CEEDLP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C#N)c[nH+]1 ZINC000425242793 271144538 /nfs/dbraw/zinc/14/45/38/271144538.db2.gz DBNICYHOQCJYJA-OAHLLOKOSA-N 2 2 284.407 2.430 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335960 277069445 /nfs/dbraw/zinc/06/94/45/277069445.db2.gz HDUMRQZAVCSCCR-IAGOWNOFSA-N 2 2 269.392 2.474 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335960 277069447 /nfs/dbraw/zinc/06/94/47/277069447.db2.gz HDUMRQZAVCSCCR-IAGOWNOFSA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335960 277069449 /nfs/dbraw/zinc/06/94/49/277069449.db2.gz HDUMRQZAVCSCCR-IAGOWNOFSA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335960 277069450 /nfs/dbraw/zinc/06/94/50/277069450.db2.gz HDUMRQZAVCSCCR-IAGOWNOFSA-N 2 2 269.392 2.474 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000344289596 279264459 /nfs/dbraw/zinc/26/44/59/279264459.db2.gz LGJHHDSELPSOQM-HUUCEWRRSA-N 2 2 287.407 2.320 20 30 CEEDLP C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCOCC1 ZINC000353255105 279354024 /nfs/dbraw/zinc/35/40/24/279354024.db2.gz NPBVCPQWMWAAAV-KDOFPFPSSA-N 2 2 299.418 2.103 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000547979513 313552296 /nfs/dbraw/zinc/55/22/96/313552296.db2.gz DYZTXXXMZSLOHB-DOMZBBRYSA-N 2 2 266.348 2.420 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000570790835 314058491 /nfs/dbraw/zinc/05/84/91/314058491.db2.gz YCPYLMVEUJHCRV-ZFWWWQNUSA-N 2 2 278.359 2.416 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000570790835 314058494 /nfs/dbraw/zinc/05/84/94/314058494.db2.gz YCPYLMVEUJHCRV-ZFWWWQNUSA-N 2 2 278.359 2.416 20 30 CEEDLP COc1ccc(CC(N)=[NH+]OCC[NH+]2CCCCC2)cc1 ZINC000194387181 327883105 /nfs/dbraw/zinc/88/31/05/327883105.db2.gz GYJQUTGGYBMFOS-UHFFFAOYSA-N 2 2 291.395 2.012 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000566792290 327461559 /nfs/dbraw/zinc/46/15/59/327461559.db2.gz PYVYNKXMANZVRG-AWEZNQCLSA-N 2 2 274.412 2.427 20 30 CEEDLP C=CCC1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000423151175 330172970 /nfs/dbraw/zinc/17/29/70/330172970.db2.gz CUAPOKCPTKWADV-HUUCEWRRSA-N 2 2 266.429 2.480 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000121275553 330399174 /nfs/dbraw/zinc/39/91/74/330399174.db2.gz BSQSYLIVNFAWPK-GOEBONIOSA-N 2 2 266.429 2.289 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497926 334160734 /nfs/dbraw/zinc/16/07/34/334160734.db2.gz DSNJATZULRJUES-HNNXBMFYSA-N 2 2 283.350 2.400 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497926 334160735 /nfs/dbraw/zinc/16/07/35/334160735.db2.gz DSNJATZULRJUES-HNNXBMFYSA-N 2 2 283.350 2.400 20 30 CEEDLP C=C(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(CO)o1 ZINC000352803960 526553592 /nfs/dbraw/zinc/55/35/92/526553592.db2.gz PDGUYAFLNHBZEC-UHFFFAOYSA-N 2 2 289.379 2.437 20 30 CEEDLP C=C(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(CO)o1 ZINC000352803960 526553594 /nfs/dbraw/zinc/55/35/94/526553594.db2.gz PDGUYAFLNHBZEC-UHFFFAOYSA-N 2 2 289.379 2.437 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353987298 527465007 /nfs/dbraw/zinc/46/50/07/527465007.db2.gz OPQBVYMFWSGFQA-HNSVSWJLSA-N 2 2 293.455 2.014 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353987298 527465010 /nfs/dbraw/zinc/46/50/10/527465010.db2.gz OPQBVYMFWSGFQA-HNSVSWJLSA-N 2 2 293.455 2.014 20 30 CEEDLP C#CC[N@@H+](CC#CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000744409843 575120764 /nfs/dbraw/zinc/12/07/64/575120764.db2.gz IJXPIPKBLGTMTP-UHFFFAOYSA-N 2 2 263.344 2.331 20 30 CEEDLP C#CC[N@H+](CC#CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000744409843 575120765 /nfs/dbraw/zinc/12/07/65/575120765.db2.gz IJXPIPKBLGTMTP-UHFFFAOYSA-N 2 2 263.344 2.331 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(C#N)ccn1 ZINC000902832026 634850684 /nfs/dbraw/zinc/85/06/84/634850684.db2.gz IFYOFLMSOQIPSK-NWANDNLSSA-N 2 2 272.396 2.477 20 30 CEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000809995027 632165673 /nfs/dbraw/zinc/16/56/73/632165673.db2.gz JOVRWAAQTMRJMR-AWEZNQCLSA-N 2 2 289.379 2.162 20 30 CEEDLP CCO[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+](C)C ZINC000926957407 632383834 /nfs/dbraw/zinc/38/38/34/632383834.db2.gz BFOGQMVTHWNUTE-RDJZCZTQSA-N 2 2 287.407 2.102 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000819079216 634063293 /nfs/dbraw/zinc/06/32/93/634063293.db2.gz BVBWDSWUKURVFZ-INIZCTEOSA-N 2 2 296.374 2.078 20 30 CEEDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000844227104 640637552 /nfs/dbraw/zinc/63/75/52/640637552.db2.gz VXAHULSOOAXKEH-SFHVURJKSA-N 2 2 294.402 2.414 20 30 CEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC000995959091 642082726 /nfs/dbraw/zinc/08/27/26/642082726.db2.gz GUCWWVQXLZCNJM-OAHLLOKOSA-N 2 2 298.390 2.189 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000853673249 643858582 /nfs/dbraw/zinc/85/85/82/643858582.db2.gz CIIXAKKVCFKATN-RBVVOMGSSA-N 2 2 287.407 2.431 20 30 CEEDLP CCCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000863540016 646750921 /nfs/dbraw/zinc/75/09/21/646750921.db2.gz POGQRKRUWZKKDI-GJZGRUSLSA-N 2 2 254.418 2.313 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000775574232 646968554 /nfs/dbraw/zinc/96/85/54/646968554.db2.gz OKJYGDGHWUEYPS-HUUCEWRRSA-N 2 2 264.413 2.020 20 30 CEEDLP CCc1[nH+]c(C=NNc2cc[nH+]cc2)c2ccccn21 ZINC000779809367 647358744 /nfs/dbraw/zinc/35/87/44/647358744.db2.gz XOIUGXIYYBHYMC-UHFFFAOYSA-N 2 2 265.320 2.160 20 30 CEEDLP C=CCCn1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC000866707061 647877998 /nfs/dbraw/zinc/87/79/98/647877998.db2.gz LMZSSHVPFZOYAG-MRXNPFEDSA-N 2 2 291.443 2.051 20 30 CEEDLP C=CCCn1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nn1 ZINC000866707061 647878002 /nfs/dbraw/zinc/87/80/02/647878002.db2.gz LMZSSHVPFZOYAG-MRXNPFEDSA-N 2 2 291.443 2.051 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C#N ZINC000879578808 651325899 /nfs/dbraw/zinc/32/58/99/651325899.db2.gz HFEZSKKVRXRALD-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C#N ZINC000879578808 651325901 /nfs/dbraw/zinc/32/59/01/651325901.db2.gz HFEZSKKVRXRALD-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C#N ZINC000879578808 651325903 /nfs/dbraw/zinc/32/59/03/651325903.db2.gz HFEZSKKVRXRALD-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C#N ZINC000879578808 651325905 /nfs/dbraw/zinc/32/59/05/651325905.db2.gz HFEZSKKVRXRALD-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128113038 651365699 /nfs/dbraw/zinc/36/56/99/651365699.db2.gz WPFKVOIWEVEULI-WDEREUQCSA-N 2 2 259.191 2.111 20 30 CEEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128113038 651365701 /nfs/dbraw/zinc/36/57/01/651365701.db2.gz WPFKVOIWEVEULI-WDEREUQCSA-N 2 2 259.191 2.111 20 30 CEEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883401250 652457427 /nfs/dbraw/zinc/45/74/27/652457427.db2.gz HQXZDKCLKVVTQE-HNNXBMFYSA-N 2 2 271.364 2.289 20 30 CEEDLP C=C(C)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001120768396 815270910 /nfs/dbraw/zinc/27/09/10/815270910.db2.gz WPCBCYFVGJYWQZ-UHFFFAOYSA-N 2 2 288.395 2.128 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172293336 815384230 /nfs/dbraw/zinc/38/42/30/815384230.db2.gz VPVFAVPEUWORKA-AWEZNQCLSA-N 2 2 259.397 2.421 20 30 CEEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415787 811750512 /nfs/dbraw/zinc/75/05/12/811750512.db2.gz RWZZFFXSQFDHEY-QGZVFWFLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415787 811750517 /nfs/dbraw/zinc/75/05/17/811750517.db2.gz RWZZFFXSQFDHEY-QGZVFWFLSA-N 2 2 298.390 2.333 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206182558 815541986 /nfs/dbraw/zinc/54/19/86/815541986.db2.gz BHKXBWOSBLBPGN-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206182558 815541992 /nfs/dbraw/zinc/54/19/92/815541992.db2.gz BHKXBWOSBLBPGN-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037420 813357101 /nfs/dbraw/zinc/35/71/01/813357101.db2.gz IZJLHQPRFMNONL-JSGCOSHPSA-N 2 2 287.407 2.127 20 30 CEEDLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143174028 816799016 /nfs/dbraw/zinc/79/90/16/816799016.db2.gz KPWSFYPZRKYVMW-UHFFFAOYSA-N 2 2 291.345 2.364 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602003226 346955158 /nfs/dbraw/zinc/95/51/58/346955158.db2.gz GLDIFUXSDXOSCP-GFCCVEGCSA-N 2 2 273.355 2.271 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602003226 346955160 /nfs/dbraw/zinc/95/51/60/346955160.db2.gz GLDIFUXSDXOSCP-GFCCVEGCSA-N 2 2 273.355 2.271 20 30 CEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC(C)C ZINC000072614144 343807803 /nfs/dbraw/zinc/80/78/03/343807803.db2.gz XUHXDJSCKGCJAT-GFCCVEGCSA-N 2 2 294.468 2.068 20 30 CEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC(C)C ZINC000072614144 343807804 /nfs/dbraw/zinc/80/78/04/343807804.db2.gz XUHXDJSCKGCJAT-GFCCVEGCSA-N 2 2 294.468 2.068 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602575671 347085035 /nfs/dbraw/zinc/08/50/35/347085035.db2.gz VOAAZRQBHBGDAX-OAHLLOKOSA-N 2 2 286.423 2.411 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602575671 347085038 /nfs/dbraw/zinc/08/50/38/347085038.db2.gz VOAAZRQBHBGDAX-OAHLLOKOSA-N 2 2 286.423 2.411 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000592984384 345418505 /nfs/dbraw/zinc/41/85/05/345418505.db2.gz AXWIOWUKIXADFJ-OAHLLOKOSA-N 2 2 255.365 2.323 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1C ZINC000594927966 345705566 /nfs/dbraw/zinc/70/55/66/345705566.db2.gz CTBPPISHZXNSGD-LLVKDONJSA-N 2 2 254.337 2.451 20 30 CEEDLP Cc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000596558310 346054702 /nfs/dbraw/zinc/05/47/02/346054702.db2.gz QEXJUSNYBDWHHM-QGZVFWFLSA-N 2 2 292.386 2.370 20 30 CEEDLP Cc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c(C#N)c[nH+]1 ZINC000596558310 346054705 /nfs/dbraw/zinc/05/47/05/346054705.db2.gz QEXJUSNYBDWHHM-QGZVFWFLSA-N 2 2 292.386 2.370 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104123 365824720 /nfs/dbraw/zinc/82/47/20/365824720.db2.gz HDUMRQZAVCSCCR-IRXDYDNUSA-N 2 2 269.392 2.474 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104123 365824723 /nfs/dbraw/zinc/82/47/23/365824723.db2.gz HDUMRQZAVCSCCR-IRXDYDNUSA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104123 365824725 /nfs/dbraw/zinc/82/47/25/365824725.db2.gz HDUMRQZAVCSCCR-IRXDYDNUSA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]21 ZINC000129104123 365824728 /nfs/dbraw/zinc/82/47/28/365824728.db2.gz HDUMRQZAVCSCCR-IRXDYDNUSA-N 2 2 269.392 2.474 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993985 347729020 /nfs/dbraw/zinc/72/90/20/347729020.db2.gz PQMVNLONXBPZQW-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993985 347729024 /nfs/dbraw/zinc/72/90/24/347729024.db2.gz PQMVNLONXBPZQW-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994354 347730154 /nfs/dbraw/zinc/73/01/54/347730154.db2.gz FBYJGADVCZBNFF-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994354 347730156 /nfs/dbraw/zinc/73/01/56/347730156.db2.gz FBYJGADVCZBNFF-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994354 347730158 /nfs/dbraw/zinc/73/01/58/347730158.db2.gz FBYJGADVCZBNFF-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994354 347730159 /nfs/dbraw/zinc/73/01/59/347730159.db2.gz FBYJGADVCZBNFF-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086754 350189606 /nfs/dbraw/zinc/18/96/06/350189606.db2.gz UVRQTVLNBVCRMK-PMPSAXMXSA-N 2 2 293.455 2.051 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086754 350189607 /nfs/dbraw/zinc/18/96/07/350189607.db2.gz UVRQTVLNBVCRMK-PMPSAXMXSA-N 2 2 293.455 2.051 20 30 CEEDLP C#CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000131326991 366043147 /nfs/dbraw/zinc/04/31/47/366043147.db2.gz PIEJEOOWBLOJPY-UHFFFAOYSA-N 2 2 257.312 2.158 20 30 CEEDLP C#CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000131326991 366043148 /nfs/dbraw/zinc/04/31/48/366043148.db2.gz PIEJEOOWBLOJPY-UHFFFAOYSA-N 2 2 257.312 2.158 20 30 CEEDLP CC(C)[NH+](CCNCc1c[nH+]c2ccc(C#N)cn12)C(C)C ZINC000123166503 187074874 /nfs/dbraw/zinc/07/48/74/187074874.db2.gz RAGZAQUPOALMQJ-UHFFFAOYSA-N 2 2 299.422 2.414 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000336382942 213237596 /nfs/dbraw/zinc/23/75/96/213237596.db2.gz GALSBDJGVALQSU-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000336382942 213237598 /nfs/dbraw/zinc/23/75/98/213237598.db2.gz GALSBDJGVALQSU-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000336382942 213237600 /nfs/dbraw/zinc/23/76/00/213237600.db2.gz GALSBDJGVALQSU-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000336382942 213237603 /nfs/dbraw/zinc/23/76/03/213237603.db2.gz GALSBDJGVALQSU-NVXWUHKLSA-N 2 2 269.392 2.393 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOC3)CC2)cc1 ZINC000271815562 191345192 /nfs/dbraw/zinc/34/51/92/191345192.db2.gz BLKBQIRWZKBWSY-KRWDZBQOSA-N 2 2 299.418 2.149 20 30 CEEDLP N#C[C@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000577986853 366425182 /nfs/dbraw/zinc/42/51/82/366425182.db2.gz QYJATYSKPLOTOK-JSGCOSHPSA-N 2 2 267.336 2.431 20 30 CEEDLP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000578587730 366515103 /nfs/dbraw/zinc/51/51/03/366515103.db2.gz DAZQKMXAPOIMJJ-MSOLQXFVSA-N 2 2 299.418 2.290 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cnn(C)c2)CC1 ZINC000177904931 189078205 /nfs/dbraw/zinc/07/82/05/189078205.db2.gz NYDCTUSVLZDKOK-HNNXBMFYSA-N 2 2 262.401 2.111 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093742121 364221277 /nfs/dbraw/zinc/22/12/77/364221277.db2.gz CTOYNZGDKHAUCG-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093742121 364221282 /nfs/dbraw/zinc/22/12/82/364221282.db2.gz CTOYNZGDKHAUCG-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093742121 364221287 /nfs/dbraw/zinc/22/12/87/364221287.db2.gz CTOYNZGDKHAUCG-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093742121 364221295 /nfs/dbraw/zinc/22/12/95/364221295.db2.gz CTOYNZGDKHAUCG-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1C#N ZINC000335836749 365051084 /nfs/dbraw/zinc/05/10/84/365051084.db2.gz ZDHQFZYDDLBFFY-UHFFFAOYSA-N 2 2 257.381 2.393 20 30 CEEDLP N#CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000183184582 368615408 /nfs/dbraw/zinc/61/54/08/368615408.db2.gz ICYBBLMGDRIAHT-UHFFFAOYSA-N 2 2 269.352 2.084 20 30 CEEDLP N#CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000183184582 368615415 /nfs/dbraw/zinc/61/54/15/368615415.db2.gz ICYBBLMGDRIAHT-UHFFFAOYSA-N 2 2 269.352 2.084 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187977077 369266888 /nfs/dbraw/zinc/26/68/88/369266888.db2.gz JFALKCNMNNIJAW-CYBMUJFWSA-N 2 2 260.385 2.086 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187977682 369267044 /nfs/dbraw/zinc/26/70/44/369267044.db2.gz WCZWCKPKKAOXGK-AWEZNQCLSA-N 2 2 274.412 2.476 20 30 CEEDLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000191386527 369708397 /nfs/dbraw/zinc/70/83/97/369708397.db2.gz YBKISFRYKHTVTN-MRXNPFEDSA-N 2 2 286.423 2.347 20 30 CEEDLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000191386527 369708401 /nfs/dbraw/zinc/70/84/01/369708401.db2.gz YBKISFRYKHTVTN-MRXNPFEDSA-N 2 2 286.423 2.347 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638525371 370591826 /nfs/dbraw/zinc/59/18/26/370591826.db2.gz XCTZBIUFRUOXIR-UHFFFAOYSA-N 2 2 263.360 2.148 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264084616 371966725 /nfs/dbraw/zinc/96/67/25/371966725.db2.gz IQNONLULKFWCNW-LLVKDONJSA-N 2 2 273.384 2.198 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCC[NH+]=C(N(C)C)N(C)C ZINC000264087111 371967573 /nfs/dbraw/zinc/96/75/73/371967573.db2.gz JWZJWZBBTYXKOV-UHFFFAOYSA-N 2 2 287.411 2.214 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)c1ccsc1 ZINC000264105241 371970536 /nfs/dbraw/zinc/97/05/36/371970536.db2.gz ZRJPURGEZAZKRV-AWEZNQCLSA-N 2 2 294.468 2.458 20 30 CEEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CC1)c1ccsc1 ZINC000264121572 371974314 /nfs/dbraw/zinc/97/43/14/371974314.db2.gz VASRJZYHRDFLIG-CYBMUJFWSA-N 2 2 280.441 2.198 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)c1cccc(F)c1 ZINC000264133003 371975802 /nfs/dbraw/zinc/97/58/02/371975802.db2.gz ULXRGOXNYVTPOO-CYBMUJFWSA-N 2 2 280.391 2.131 20 30 CEEDLP C#CCCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000271027201 373077964 /nfs/dbraw/zinc/07/79/64/373077964.db2.gz KJTUTFNPKXHPER-UHFFFAOYSA-N 2 2 286.423 2.444 20 30 CEEDLP C#CCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000271046422 373088706 /nfs/dbraw/zinc/08/87/06/373088706.db2.gz OLXCZYUHBUORQH-UHFFFAOYSA-N 2 2 285.435 2.434 20 30 CEEDLP C#CCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000271046422 373088714 /nfs/dbraw/zinc/08/87/14/373088714.db2.gz OLXCZYUHBUORQH-UHFFFAOYSA-N 2 2 285.435 2.434 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000368427671 373238936 /nfs/dbraw/zinc/23/89/36/373238936.db2.gz ACYPQNPHOXKQOC-NVXWUHKLSA-N 2 2 274.408 2.442 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000368427671 373238942 /nfs/dbraw/zinc/23/89/42/373238942.db2.gz ACYPQNPHOXKQOC-NVXWUHKLSA-N 2 2 274.408 2.442 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000373228035 374301204 /nfs/dbraw/zinc/30/12/04/374301204.db2.gz LJXAGSXSTZWDTP-LBPRGKRZSA-N 2 2 270.336 2.264 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000373228035 374301210 /nfs/dbraw/zinc/30/12/10/374301210.db2.gz LJXAGSXSTZWDTP-LBPRGKRZSA-N 2 2 270.336 2.264 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000414786501 375969105 /nfs/dbraw/zinc/96/91/05/375969105.db2.gz MFOLABDAKYRYFR-KRWDZBQOSA-N 2 2 285.391 2.142 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C#N ZINC000414786501 375969113 /nfs/dbraw/zinc/96/91/13/375969113.db2.gz MFOLABDAKYRYFR-KRWDZBQOSA-N 2 2 285.391 2.142 20 30 CEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)[nH+]c2)C1 ZINC000562463471 376902019 /nfs/dbraw/zinc/90/20/19/376902019.db2.gz OEXHBJBIFXOCEF-SQWLQELKSA-N 2 2 299.422 2.326 20 30 CEEDLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1C#N ZINC000423131494 377030836 /nfs/dbraw/zinc/03/08/36/377030836.db2.gz ZXRBBNCYQDIBCY-DOMZBBRYSA-N 2 2 273.380 2.187 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000428223130 377487943 /nfs/dbraw/zinc/48/79/43/377487943.db2.gz OSVCANHPKMZPIX-DZGCQCFKSA-N 2 2 252.402 2.184 20 30 CEEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000435741924 377810871 /nfs/dbraw/zinc/81/08/71/377810871.db2.gz ROOBFMBCKUXUJJ-XJKSGUPXSA-N 2 2 271.364 2.405 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000435741921 377811490 /nfs/dbraw/zinc/81/14/90/377811490.db2.gz ROOBFMBCKUXUJJ-BBRMVZONSA-N 2 2 271.364 2.405 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433312323 377787874 /nfs/dbraw/zinc/78/78/74/377787874.db2.gz QFIPMGCEHWQUGO-UHFFFAOYSA-N 2 2 286.379 2.410 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875613 378011603 /nfs/dbraw/zinc/01/16/03/378011603.db2.gz PIFQQOZHEKHPQP-USPMSXPRSA-N 2 2 261.413 2.389 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875613 378011608 /nfs/dbraw/zinc/01/16/08/378011608.db2.gz PIFQQOZHEKHPQP-USPMSXPRSA-N 2 2 261.413 2.389 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000294893997 378026724 /nfs/dbraw/zinc/02/67/24/378026724.db2.gz FDALZXRXUNPZJB-CYBMUJFWSA-N 2 2 273.355 2.303 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000294893997 378026728 /nfs/dbraw/zinc/02/67/28/378026728.db2.gz FDALZXRXUNPZJB-CYBMUJFWSA-N 2 2 273.355 2.303 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449394012 378210887 /nfs/dbraw/zinc/21/08/87/378210887.db2.gz DJJQZIYZBWVRHF-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449394012 378210893 /nfs/dbraw/zinc/21/08/93/378210893.db2.gz DJJQZIYZBWVRHF-ZNMIVQPWSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278491549 194008805 /nfs/dbraw/zinc/00/88/05/194008805.db2.gz MEIXHGGWUUAZEQ-UHFFFAOYSA-N 2 2 263.360 2.269 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258584 378844684 /nfs/dbraw/zinc/84/46/84/378844684.db2.gz HWJWBKBVPHPVPX-PBHICJAKSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258584 378844688 /nfs/dbraw/zinc/84/46/88/378844688.db2.gz HWJWBKBVPHPVPX-PBHICJAKSA-N 2 2 287.407 2.056 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000555880828 380853752 /nfs/dbraw/zinc/85/37/52/380853752.db2.gz VECKEHJGRPEKAB-KRWDZBQOSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)CC ZINC000555880828 380853758 /nfs/dbraw/zinc/85/37/58/380853758.db2.gz VECKEHJGRPEKAB-KRWDZBQOSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000555880828 380853763 /nfs/dbraw/zinc/85/37/63/380853763.db2.gz VECKEHJGRPEKAB-KRWDZBQOSA-N 2 2 276.424 2.030 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)CC ZINC000555880828 380853774 /nfs/dbraw/zinc/85/37/74/380853774.db2.gz VECKEHJGRPEKAB-KRWDZBQOSA-N 2 2 276.424 2.030 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261725801 394606471 /nfs/dbraw/zinc/60/64/71/394606471.db2.gz GROZNFFBMGNXOS-RYUDHWBXSA-N 2 2 294.468 2.198 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261725801 394606476 /nfs/dbraw/zinc/60/64/76/394606476.db2.gz GROZNFFBMGNXOS-RYUDHWBXSA-N 2 2 294.468 2.198 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000104155409 394718995 /nfs/dbraw/zinc/71/89/95/394718995.db2.gz LNTKWZBBWWHQIL-OAHLLOKOSA-N 2 2 292.427 2.002 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000358512389 394723861 /nfs/dbraw/zinc/72/38/61/394723861.db2.gz SEXBUFALUDZPEY-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000358512389 394723864 /nfs/dbraw/zinc/72/38/64/394723864.db2.gz SEXBUFALUDZPEY-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP Cc1c[nH+]ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120849279 394785766 /nfs/dbraw/zinc/78/57/66/394785766.db2.gz NCUQEWOWLASLEI-UHFFFAOYSA-N 2 2 289.383 2.089 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341883544 395008258 /nfs/dbraw/zinc/00/82/58/395008258.db2.gz FGYZACHJQHAPEC-OAUYIBNBSA-N 2 2 269.392 2.475 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341883544 395008261 /nfs/dbraw/zinc/00/82/61/395008261.db2.gz FGYZACHJQHAPEC-OAUYIBNBSA-N 2 2 269.392 2.475 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289710661 395084522 /nfs/dbraw/zinc/08/45/22/395084522.db2.gz GIHMEZKGLVBZIO-QGZVFWFLSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289710661 395084527 /nfs/dbraw/zinc/08/45/27/395084527.db2.gz GIHMEZKGLVBZIO-QGZVFWFLSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289710661 395084533 /nfs/dbraw/zinc/08/45/33/395084533.db2.gz GIHMEZKGLVBZIO-QGZVFWFLSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289710661 395084536 /nfs/dbraw/zinc/08/45/36/395084536.db2.gz GIHMEZKGLVBZIO-QGZVFWFLSA-N 2 2 274.408 2.130 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000354328993 395327110 /nfs/dbraw/zinc/32/71/10/395327110.db2.gz KNPUXZNBCHYZLM-ZDUSSCGKSA-N 2 2 252.402 2.042 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000651818921 401398631 /nfs/dbraw/zinc/39/86/31/401398631.db2.gz KLTLUGKIGIHUCN-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000651818921 401398633 /nfs/dbraw/zinc/39/86/33/401398633.db2.gz KLTLUGKIGIHUCN-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672861 174371409 /nfs/dbraw/zinc/37/14/09/174371409.db2.gz GBSISCWVGFQLBZ-ZFWWWQNUSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672861 174371410 /nfs/dbraw/zinc/37/14/10/174371410.db2.gz GBSISCWVGFQLBZ-ZFWWWQNUSA-N 2 2 273.380 2.334 20 30 CEEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccccc1)C2 ZINC000660664754 414926301 /nfs/dbraw/zinc/92/63/01/414926301.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccccc1)C2 ZINC000660664754 414926307 /nfs/dbraw/zinc/92/63/07/414926307.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#Cc1ccccc1)C2 ZINC000660664754 414926309 /nfs/dbraw/zinc/92/63/09/414926309.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000660664754 414926318 /nfs/dbraw/zinc/92/63/18/414926318.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 2 268.404 2.456 20 30 CEEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762644 415445965 /nfs/dbraw/zinc/44/59/65/415445965.db2.gz GZGDEMZKPYXFBA-UKRRQHHQSA-N 2 2 252.402 2.184 20 30 CEEDLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)Cc2ccccc2C1 ZINC000442790857 265006646 /nfs/dbraw/zinc/00/66/46/265006646.db2.gz MJFDOAKWEILUEO-YOEHRIQHSA-N 2 2 283.419 2.367 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423378198 267741436 /nfs/dbraw/zinc/74/14/36/267741436.db2.gz ZMNQVONSIXHBCU-HFBAOOFYSA-N 2 2 255.365 2.133 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000582546769 329105466 /nfs/dbraw/zinc/10/54/66/329105466.db2.gz KVPMWULWOLOOEZ-CZUORRHYSA-N 2 2 257.381 2.373 20 30 CEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C1CC1 ZINC000378454064 329051179 /nfs/dbraw/zinc/05/11/79/329051179.db2.gz PHMFMUGUFMEPEO-NXOAAHMSSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C1CC1 ZINC000378454064 329051181 /nfs/dbraw/zinc/05/11/81/329051181.db2.gz PHMFMUGUFMEPEO-NXOAAHMSSA-N 2 2 291.439 2.300 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422976143 330162219 /nfs/dbraw/zinc/16/22/19/330162219.db2.gz HTNKMHVOMHPHHP-CVEARBPZSA-N 3 2 265.445 2.277 20 30 CEEDLP C=C(Br)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000049555451 518584008 /nfs/dbraw/zinc/58/40/08/518584008.db2.gz BYZTUCPRKUXRDL-UHFFFAOYSA-N 2 2 261.207 2.359 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000733325234 574663896 /nfs/dbraw/zinc/66/38/96/574663896.db2.gz FUDXGPHGSBWNRK-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000733325234 574663898 /nfs/dbraw/zinc/66/38/98/574663898.db2.gz FUDXGPHGSBWNRK-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928333 613291611 /nfs/dbraw/zinc/29/16/11/613291611.db2.gz LSCIINGCUIQTFC-AWEZNQCLSA-N 2 2 298.390 2.057 20 30 CEEDLP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928333 613291612 /nfs/dbraw/zinc/29/16/12/613291612.db2.gz LSCIINGCUIQTFC-AWEZNQCLSA-N 2 2 298.390 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926488864 624922510 /nfs/dbraw/zinc/92/25/10/624922510.db2.gz AYWMMDAOFIOYMH-AWEZNQCLSA-N 2 2 277.799 2.267 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926488864 624922515 /nfs/dbraw/zinc/92/25/15/624922515.db2.gz AYWMMDAOFIOYMH-AWEZNQCLSA-N 2 2 277.799 2.267 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608958 628291004 /nfs/dbraw/zinc/29/10/04/628291004.db2.gz MORWGXKLTAAMCO-IXDOHACOSA-N 3 2 291.483 2.393 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000902445352 634662428 /nfs/dbraw/zinc/66/24/28/634662428.db2.gz LLUUBUHVHIKAQB-RWMBFGLXSA-N 2 2 276.409 2.025 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924983283 629320132 /nfs/dbraw/zinc/32/01/32/629320132.db2.gz DKJLPEWCPGYXKB-QGZVFWFLSA-N 2 2 278.440 2.432 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000897621679 631826254 /nfs/dbraw/zinc/82/62/54/631826254.db2.gz NHYWNHVQXLVBOU-AEFFLSMTSA-N 2 2 284.403 2.082 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000897621679 631826257 /nfs/dbraw/zinc/82/62/57/631826257.db2.gz NHYWNHVQXLVBOU-AEFFLSMTSA-N 2 2 284.403 2.082 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621679 631826262 /nfs/dbraw/zinc/82/62/62/631826262.db2.gz NHYWNHVQXLVBOU-AEFFLSMTSA-N 2 2 284.403 2.082 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621679 631826265 /nfs/dbraw/zinc/82/62/65/631826265.db2.gz NHYWNHVQXLVBOU-AEFFLSMTSA-N 2 2 284.403 2.082 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000903100059 634969320 /nfs/dbraw/zinc/96/93/20/634969320.db2.gz ICIOZQMBRPHZAW-HUUCEWRRSA-N 2 2 281.444 2.263 20 30 CEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000903100059 634969322 /nfs/dbraw/zinc/96/93/22/634969322.db2.gz ICIOZQMBRPHZAW-HUUCEWRRSA-N 2 2 281.444 2.263 20 30 CEEDLP C=CC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000996829977 642143222 /nfs/dbraw/zinc/14/32/22/642143222.db2.gz HSFZOMZYGZLSID-UHFFFAOYSA-N 2 2 287.407 2.387 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000849003075 642219998 /nfs/dbraw/zinc/21/99/98/642219998.db2.gz AVOKTJVQQYIFOI-CYBMUJFWSA-N 2 2 280.803 2.243 20 30 CEEDLP CC[C@H](C)[NH2+][C@H](CNC(NC1CC1)=[NH+]C)c1ccco1 ZINC000849023409 642236397 /nfs/dbraw/zinc/23/63/97/642236397.db2.gz QGIKIRMTMYXXOS-WCQYABFASA-N 2 2 278.400 2.036 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000849023432 642236579 /nfs/dbraw/zinc/23/65/79/642236579.db2.gz SUKHKJQTAHIXDG-NWDGAFQWSA-N 2 2 264.373 2.009 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850470821 642721637 /nfs/dbraw/zinc/72/16/37/642721637.db2.gz HRHVUYSNJJJCPV-CYBMUJFWSA-N 2 2 271.364 2.434 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850470821 642721643 /nfs/dbraw/zinc/72/16/43/642721643.db2.gz HRHVUYSNJJJCPV-CYBMUJFWSA-N 2 2 271.364 2.434 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922147394 642905954 /nfs/dbraw/zinc/90/59/54/642905954.db2.gz VIUQDUOXOXWUQN-UHFFFAOYSA-N 2 2 288.439 2.122 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922147394 642905955 /nfs/dbraw/zinc/90/59/55/642905955.db2.gz VIUQDUOXOXWUQN-UHFFFAOYSA-N 2 2 288.439 2.122 20 30 CEEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000851900647 643215400 /nfs/dbraw/zinc/21/54/00/643215400.db2.gz GMFRPOAVCUKXAW-DLBZAZTESA-N 2 2 274.408 2.042 20 30 CEEDLP C#CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000851900647 643215404 /nfs/dbraw/zinc/21/54/04/643215404.db2.gz GMFRPOAVCUKXAW-DLBZAZTESA-N 2 2 274.408 2.042 20 30 CEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000764462696 645644361 /nfs/dbraw/zinc/64/43/61/645644361.db2.gz SWFQSBRWBOXTPY-UHFFFAOYSA-N 2 2 270.336 2.133 20 30 CEEDLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866237752 647687260 /nfs/dbraw/zinc/68/72/60/647687260.db2.gz LJHURYRQMPJRGL-CHWSQXEVSA-N 2 2 273.380 2.256 20 30 CEEDLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866237752 647687266 /nfs/dbraw/zinc/68/72/66/647687266.db2.gz LJHURYRQMPJRGL-CHWSQXEVSA-N 2 2 273.380 2.256 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000883217215 652403018 /nfs/dbraw/zinc/40/30/18/652403018.db2.gz DPZYXQYNINKWPH-QLFBSQMISA-N 2 2 275.396 2.301 20 30 CEEDLP CN(c1ccccc1C[NH2+]CCC#N)C1CC[NH+](C)CC1 ZINC000425984229 804733255 /nfs/dbraw/zinc/73/32/55/804733255.db2.gz GQCUARPWVRWHSI-UHFFFAOYSA-N 2 2 286.423 2.220 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450758110 808962336 /nfs/dbraw/zinc/96/23/36/808962336.db2.gz NMLGYQVHKABQPT-HOTGVXAUSA-N 2 2 293.455 2.407 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450758110 808962340 /nfs/dbraw/zinc/96/23/40/808962340.db2.gz NMLGYQVHKABQPT-HOTGVXAUSA-N 2 2 293.455 2.407 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001036080026 809856904 /nfs/dbraw/zinc/85/69/04/809856904.db2.gz WXEPKOGZOZLBKA-GXTWGEPZSA-N 2 2 298.390 2.189 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000381442765 810445088 /nfs/dbraw/zinc/44/50/88/810445088.db2.gz WXRVMCKIEZVOID-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000381442765 810445090 /nfs/dbraw/zinc/44/50/90/810445090.db2.gz WXRVMCKIEZVOID-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166955998 810504471 /nfs/dbraw/zinc/50/44/71/810504471.db2.gz QCCNCDSOLNXGHL-CYBMUJFWSA-N 2 2 266.348 2.152 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001044678669 811523424 /nfs/dbraw/zinc/52/34/24/811523424.db2.gz XXIBJSRRRHRMLE-UONOGXRCSA-N 2 2 298.390 2.103 20 30 CEEDLP N#CC1(c2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC001169562981 811567760 /nfs/dbraw/zinc/56/77/60/811567760.db2.gz OOMKGISQSKLJAC-CYBMUJFWSA-N 2 2 256.353 2.191 20 30 CEEDLP N#Cc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC001159177333 813277047 /nfs/dbraw/zinc/27/70/47/813277047.db2.gz QUKCQQCJWBRCRG-UHFFFAOYSA-N 2 2 299.403 2.036 20 30 CEEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134732051 813321600 /nfs/dbraw/zinc/32/16/00/813321600.db2.gz CIHBXBZLWWPFMM-VXGBXAGGSA-N 2 2 286.379 2.235 20 30 CEEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246101341 813691486 /nfs/dbraw/zinc/69/14/86/813691486.db2.gz OZMFSEZEHUJSAA-SOUVJXGZSA-N 2 2 256.434 2.438 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]cc(C)c1C ZINC001171069940 813799643 /nfs/dbraw/zinc/79/96/43/813799643.db2.gz SKFHCKOWWQFRMV-AWEZNQCLSA-N 2 2 291.395 2.337 20 30 CEEDLP C=CCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160534389 814015045 /nfs/dbraw/zinc/01/50/45/814015045.db2.gz JOONPUNGBUEYRZ-OAHLLOKOSA-N 2 2 292.427 2.142 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463117 816205148 /nfs/dbraw/zinc/20/51/48/816205148.db2.gz XVRDCODYBNCEIV-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP CCNC(NC[C@H](c1ccc(F)cc1)[NH+](C)C)=[NH+]CC ZINC000066243666 343709415 /nfs/dbraw/zinc/70/94/15/343709415.db2.gz LYFLRDPDONUBKZ-CQSZACIVSA-N 2 2 280.391 2.003 20 30 CEEDLP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C#N)c1 ZINC000602019548 346961544 /nfs/dbraw/zinc/96/15/44/346961544.db2.gz GFXBUYFZVGYLAQ-UHFFFAOYSA-N 2 2 255.365 2.135 20 30 CEEDLP Cn1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1C#N ZINC000351566099 219128137 /nfs/dbraw/zinc/12/81/37/219128137.db2.gz DVXFSJZDSXURRC-UHFFFAOYSA-N 2 2 292.346 2.149 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470812 347045904 /nfs/dbraw/zinc/04/59/04/347045904.db2.gz IBIVKOYUBPUQKG-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470812 347045905 /nfs/dbraw/zinc/04/59/05/347045905.db2.gz IBIVKOYUBPUQKG-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470812 347045906 /nfs/dbraw/zinc/04/59/06/347045906.db2.gz IBIVKOYUBPUQKG-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C[C@H]1C ZINC000602470812 347045907 /nfs/dbraw/zinc/04/59/07/347045907.db2.gz IBIVKOYUBPUQKG-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000602543442 347070959 /nfs/dbraw/zinc/07/09/59/347070959.db2.gz JJLOYUAPYDRNME-KGLIPLIRSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000602543442 347070961 /nfs/dbraw/zinc/07/09/61/347070961.db2.gz JJLOYUAPYDRNME-KGLIPLIRSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000602570966 347082220 /nfs/dbraw/zinc/08/22/20/347082220.db2.gz VMPXSYBMFXKLFN-ILXRZTDVSA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000602570966 347082225 /nfs/dbraw/zinc/08/22/25/347082225.db2.gz VMPXSYBMFXKLFN-ILXRZTDVSA-N 2 2 291.439 2.300 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000591577246 345266141 /nfs/dbraw/zinc/26/61/41/345266141.db2.gz GCCGQFAELGTTCI-HOCLYGCPSA-N 2 2 255.365 2.277 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127455 345445180 /nfs/dbraw/zinc/44/51/80/345445180.db2.gz RCXRAXIRLFSHTF-UHFFFAOYSA-N 2 2 266.348 2.469 20 30 CEEDLP Cc1[nH+]ccn1CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127455 345445183 /nfs/dbraw/zinc/44/51/83/345445183.db2.gz RCXRAXIRLFSHTF-UHFFFAOYSA-N 2 2 266.348 2.469 20 30 CEEDLP CC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)COC1 ZINC000593693005 345522373 /nfs/dbraw/zinc/52/23/73/345522373.db2.gz LFCJFSMJSYHKCX-UHFFFAOYSA-N 2 2 299.418 2.149 20 30 CEEDLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594946776 345713583 /nfs/dbraw/zinc/71/35/83/345713583.db2.gz RSXVLHGMRYDBKQ-UHFFFAOYSA-N 2 2 280.375 2.308 20 30 CEEDLP N#CCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594949887 345714155 /nfs/dbraw/zinc/71/41/55/345714155.db2.gz HFGOFNBRGMRWLI-UHFFFAOYSA-N 2 2 266.348 2.185 20 30 CEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632641 345833141 /nfs/dbraw/zinc/83/31/41/345833141.db2.gz IBUMFVCZXMCDSI-INIZCTEOSA-N 2 2 289.423 2.084 20 30 CEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632641 345833143 /nfs/dbraw/zinc/83/31/43/345833143.db2.gz IBUMFVCZXMCDSI-INIZCTEOSA-N 2 2 289.423 2.084 20 30 CEEDLP C[C@]1(C#N)CC[NH+](C/C=C\C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841833 345895489 /nfs/dbraw/zinc/89/54/89/345895489.db2.gz AGVMEZNTZTZVAB-JGPFYOFESA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@]1(C#N)CC[NH+](C/C=C\C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841833 345895493 /nfs/dbraw/zinc/89/54/93/345895493.db2.gz AGVMEZNTZTZVAB-JGPFYOFESA-N 2 2 272.396 2.014 20 30 CEEDLP N#C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000061892056 362697686 /nfs/dbraw/zinc/69/76/86/362697686.db2.gz YRRDXCPWNOVEEI-DZGCQCFKSA-N 2 2 270.380 2.332 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000599300893 346494823 /nfs/dbraw/zinc/49/48/23/346494823.db2.gz YYANRKQRZUWKSE-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000599300893 346494824 /nfs/dbraw/zinc/49/48/24/346494824.db2.gz YYANRKQRZUWKSE-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878129 347234630 /nfs/dbraw/zinc/23/46/30/347234630.db2.gz VYZGGPBEBPNXOC-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878129 347234632 /nfs/dbraw/zinc/23/46/32/347234632.db2.gz VYZGGPBEBPNXOC-RHSMWYFYSA-N 2 2 287.407 2.008 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC000612117563 347847029 /nfs/dbraw/zinc/84/70/29/347847029.db2.gz YHCKSQJTWQRXIG-UHFFFAOYSA-N 2 2 270.380 2.013 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC000612117563 347847032 /nfs/dbraw/zinc/84/70/32/347847032.db2.gz YHCKSQJTWQRXIG-UHFFFAOYSA-N 2 2 270.380 2.013 20 30 CEEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619716307 349226127 /nfs/dbraw/zinc/22/61/27/349226127.db2.gz IQIOAZDDTAXXEJ-INIZCTEOSA-N 2 2 294.439 2.302 20 30 CEEDLP N#Cc1ccccc1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793681 186273034 /nfs/dbraw/zinc/27/30/34/186273034.db2.gz YBQMZSNKMRZTSP-UHFFFAOYSA-N 2 2 296.374 2.471 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cncc(OC)c2C)CC1 ZINC000631063590 351945058 /nfs/dbraw/zinc/94/50/58/351945058.db2.gz BVTLYSBZTCJLQL-UHFFFAOYSA-N 2 2 275.396 2.139 20 30 CEEDLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc[nH+]1 ZINC000301669976 201127179 /nfs/dbraw/zinc/12/71/79/201127179.db2.gz YKAMJJZMSWYXLZ-UHFFFAOYSA-N 2 2 295.390 2.225 20 30 CEEDLP C#CCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090399286 364055950 /nfs/dbraw/zinc/05/59/50/364055950.db2.gz NNAQWQINNTWGME-UHFFFAOYSA-N 2 2 257.381 2.444 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936240 365183226 /nfs/dbraw/zinc/18/32/26/365183226.db2.gz HPKGHRKRHAULCJ-WFASDCNBSA-N 2 2 255.365 2.087 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936240 365183228 /nfs/dbraw/zinc/18/32/28/365183228.db2.gz HPKGHRKRHAULCJ-WFASDCNBSA-N 2 2 255.365 2.087 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)c1ccsc1 ZINC000170912848 367446194 /nfs/dbraw/zinc/44/61/94/367446194.db2.gz WCWRHUIGQSJSSK-LBPRGKRZSA-N 2 2 268.430 2.007 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](CNc1[nH+]cnc2[nH]ccc21)C(C)C ZINC000343919880 368074368 /nfs/dbraw/zinc/07/43/68/368074368.db2.gz SDEOUXWDTMTDSN-HNNXBMFYSA-N 2 2 299.422 2.490 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181075005 368419164 /nfs/dbraw/zinc/41/91/64/368419164.db2.gz JCCUMRWVEDFMNB-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181075005 368419173 /nfs/dbraw/zinc/41/91/73/368419173.db2.gz JCCUMRWVEDFMNB-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246824476 371016338 /nfs/dbraw/zinc/01/63/38/371016338.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246824476 371016345 /nfs/dbraw/zinc/01/63/45/371016345.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246824476 371016355 /nfs/dbraw/zinc/01/63/55/371016355.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 2 2 286.423 2.379 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246956922 371037364 /nfs/dbraw/zinc/03/73/64/371037364.db2.gz HRBZBLHPLUHLMV-DOTOQJQBSA-N 2 2 271.408 2.295 20 30 CEEDLP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246956922 371037368 /nfs/dbraw/zinc/03/73/68/371037368.db2.gz HRBZBLHPLUHLMV-DOTOQJQBSA-N 2 2 271.408 2.295 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248881652 371262198 /nfs/dbraw/zinc/26/21/98/371262198.db2.gz RSDKXKDZFQIFAT-OWCLPIDISA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248881652 371262204 /nfs/dbraw/zinc/26/22/04/371262204.db2.gz RSDKXKDZFQIFAT-OWCLPIDISA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264110674 371972095 /nfs/dbraw/zinc/97/20/95/371972095.db2.gz OXXOYIBCBBTHPD-HNNXBMFYSA-N 2 2 276.428 2.240 20 30 CEEDLP C#CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000271203429 373180164 /nfs/dbraw/zinc/18/01/64/373180164.db2.gz VMCDKKODAZFNFE-FUHWJXTLSA-N 2 2 284.403 2.273 20 30 CEEDLP C#CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000271203429 373180171 /nfs/dbraw/zinc/18/01/71/373180171.db2.gz VMCDKKODAZFNFE-FUHWJXTLSA-N 2 2 284.403 2.273 20 30 CEEDLP N#Cc1cccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)c1 ZINC000272012860 373260386 /nfs/dbraw/zinc/26/03/86/373260386.db2.gz KEEONQYBEBTVBK-UHFFFAOYSA-N 2 2 266.348 2.424 20 30 CEEDLP C[C@@H](C#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371687823 373950314 /nfs/dbraw/zinc/95/03/14/373950314.db2.gz APSDQRXRQSKNTE-ZDUSSCGKSA-N 2 2 258.369 2.142 20 30 CEEDLP C[C@@H](C#N)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371687823 373950317 /nfs/dbraw/zinc/95/03/17/373950317.db2.gz APSDQRXRQSKNTE-ZDUSSCGKSA-N 2 2 258.369 2.142 20 30 CEEDLP C[N@H+](CCCC#N)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375014859 374639551 /nfs/dbraw/zinc/63/95/51/374639551.db2.gz UOAAFAHFFBXKKG-UHFFFAOYSA-N 2 2 286.423 2.324 20 30 CEEDLP C[N@@H+](CCCC#N)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375014859 374639558 /nfs/dbraw/zinc/63/95/58/374639558.db2.gz UOAAFAHFFBXKKG-UHFFFAOYSA-N 2 2 286.423 2.324 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527173 376821132 /nfs/dbraw/zinc/82/11/32/376821132.db2.gz QJBBPWMKJJKXBE-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527173 376821136 /nfs/dbraw/zinc/82/11/36/376821136.db2.gz QJBBPWMKJJKXBE-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000290527173 376821143 /nfs/dbraw/zinc/82/11/43/376821143.db2.gz QJBBPWMKJJKXBE-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290527173 376821150 /nfs/dbraw/zinc/82/11/50/376821150.db2.gz QJBBPWMKJJKXBE-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CC2CC2)CC1 ZINC000328669493 376876674 /nfs/dbraw/zinc/87/66/74/376876674.db2.gz FHJQGSQHPXPIPX-UHFFFAOYSA-N 2 2 276.384 2.104 20 30 CEEDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267723 /nfs/dbraw/zinc/26/77/23/377267723.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267728 /nfs/dbraw/zinc/26/77/28/377267728.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267735 /nfs/dbraw/zinc/26/77/35/377267735.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 2 289.423 2.081 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000563628944 377267738 /nfs/dbraw/zinc/26/77/38/377267738.db2.gz DUMXKSMHGNRXEG-QGZVFWFLSA-N 2 2 289.423 2.081 20 30 CEEDLP C=CCC[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449697074 378222244 /nfs/dbraw/zinc/22/22/44/378222244.db2.gz JXHGWYGHFSQXGU-LBPRGKRZSA-N 2 2 277.393 2.351 20 30 CEEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450467689 378434128 /nfs/dbraw/zinc/43/41/28/378434128.db2.gz DTRMUCBZOGZGIV-CQSZACIVSA-N 2 2 258.369 2.350 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(C#N)c1 ZINC000453261662 378846436 /nfs/dbraw/zinc/84/64/36/378846436.db2.gz KHFBSJGWPSCJQB-YOEHRIQHSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(C#N)c1 ZINC000453261662 378846439 /nfs/dbraw/zinc/84/64/39/378846439.db2.gz KHFBSJGWPSCJQB-YOEHRIQHSA-N 2 2 287.407 2.056 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268111985 190377500 /nfs/dbraw/zinc/37/75/00/190377500.db2.gz IUESYVXAVDHMTH-YOEHRIQHSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268111985 190377501 /nfs/dbraw/zinc/37/75/01/190377501.db2.gz IUESYVXAVDHMTH-YOEHRIQHSA-N 2 2 284.403 2.271 20 30 CEEDLP CCCNC(=[NH+]CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954596 394610512 /nfs/dbraw/zinc/61/05/12/394610512.db2.gz IKKSPDCPNDKTRH-KBPBESRZSA-N 2 2 277.416 2.142 20 30 CEEDLP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)c1ccsc1 ZINC000262648849 394622007 /nfs/dbraw/zinc/62/20/07/394622007.db2.gz JXYVYEUFCNYHGF-DGCLKSJQSA-N 2 2 280.441 2.068 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000104176121 394718462 /nfs/dbraw/zinc/71/84/62/394718462.db2.gz GDFYNACNIHZZJP-HNNXBMFYSA-N 2 2 274.412 2.078 20 30 CEEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361115744 394816672 /nfs/dbraw/zinc/81/66/72/394816672.db2.gz AEMMHBLCQRZEMF-AWEZNQCLSA-N 2 2 282.428 2.348 20 30 CEEDLP Cc1cc(NC2CCC(C[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425243039 395054176 /nfs/dbraw/zinc/05/41/76/395054176.db2.gz SNXXCLTVXRGYBX-UHFFFAOYSA-N 2 2 272.396 2.216 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000534581804 395463032 /nfs/dbraw/zinc/46/30/32/395463032.db2.gz ZXZCUXKISXGZCX-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000534581804 395463036 /nfs/dbraw/zinc/46/30/36/395463036.db2.gz ZXZCUXKISXGZCX-OAHLLOKOSA-N 2 2 266.348 2.281 20 30 CEEDLP C=CCOCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000657657731 415038711 /nfs/dbraw/zinc/03/87/11/415038711.db2.gz AHCDKENXEVJYKQ-UHFFFAOYSA-N 2 2 259.353 2.325 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264094994 262869616 /nfs/dbraw/zinc/86/96/16/262869616.db2.gz LUQOMHMBHVXGQR-RISCZKNCSA-N 2 2 280.391 2.131 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCCC1(C#N)CCOCC1 ZINC000281910397 263072840 /nfs/dbraw/zinc/07/28/40/263072840.db2.gz GLHGVFZCGRWZLK-UHFFFAOYSA-N 2 2 290.411 2.306 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCCC1(C#N)CCOCC1 ZINC000281910397 263072841 /nfs/dbraw/zinc/07/28/41/263072841.db2.gz GLHGVFZCGRWZLK-UHFFFAOYSA-N 2 2 290.411 2.306 20 30 CEEDLP C=CCOCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000294165419 265000244 /nfs/dbraw/zinc/00/02/44/265000244.db2.gz PPSKSKLPGCHBKX-UHFFFAOYSA-N 2 2 276.380 2.436 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000418144367 267364857 /nfs/dbraw/zinc/36/48/57/267364857.db2.gz SYRJSOQBMBBQRN-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266891554 274544446 /nfs/dbraw/zinc/54/44/46/274544446.db2.gz CZEZXOLIDBWDIM-CQSZACIVSA-N 2 2 295.390 2.175 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000335495105 274926777 /nfs/dbraw/zinc/92/67/77/274926777.db2.gz IVTRLPHENDICEV-ZBFHGGJFSA-N 2 2 255.365 2.277 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000571102847 328086587 /nfs/dbraw/zinc/08/65/87/328086587.db2.gz CBXPVSNBTUPHKL-UHFFFAOYSA-N 2 2 260.381 2.437 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000558732069 327117826 /nfs/dbraw/zinc/11/78/26/327117826.db2.gz OPLRMCJJSQVRAB-INIZCTEOSA-N 2 2 297.406 2.079 20 30 CEEDLP C=CCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000423168855 330174294 /nfs/dbraw/zinc/17/42/94/330174294.db2.gz YWSXNMBFOFPDQT-HOTGVXAUSA-N 2 2 278.440 2.480 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459403389 331280152 /nfs/dbraw/zinc/28/01/52/331280152.db2.gz PIZKGFRGPSAXEU-UHFFFAOYSA-N 2 2 286.423 2.484 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000581318604 336048135 /nfs/dbraw/zinc/04/81/35/336048135.db2.gz BEIDBLUAPWBNHO-KRWDZBQOSA-N 2 2 287.407 2.301 20 30 CEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068430627 518605165 /nfs/dbraw/zinc/60/51/65/518605165.db2.gz OXJQLPIJBAWNNE-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)CCC2 ZINC000365131843 525939831 /nfs/dbraw/zinc/93/98/31/525939831.db2.gz BKUMYOUCERJJRD-AWEZNQCLSA-N 2 2 283.379 2.069 20 30 CEEDLP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222395 613860965 /nfs/dbraw/zinc/86/09/65/613860965.db2.gz AHPYGWCNVALQFZ-ZIAGYGMSSA-N 2 2 298.390 2.151 20 30 CEEDLP C=CCOCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926702485 625776597 /nfs/dbraw/zinc/77/65/97/625776597.db2.gz HVBGCACZPWAKOH-LSDHHAIUSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926702485 625776602 /nfs/dbraw/zinc/77/66/02/625776602.db2.gz HVBGCACZPWAKOH-LSDHHAIUSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820809666 634535422 /nfs/dbraw/zinc/53/54/22/634535422.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 3 2 289.467 2.384 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820809666 634535426 /nfs/dbraw/zinc/53/54/26/634535426.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 3 2 289.467 2.384 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000809602206 632107678 /nfs/dbraw/zinc/10/76/78/632107678.db2.gz KWXCCFVGUOSVHO-SFHVURJKSA-N 2 2 286.419 2.114 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000809602206 632107682 /nfs/dbraw/zinc/10/76/82/632107682.db2.gz KWXCCFVGUOSVHO-SFHVURJKSA-N 2 2 286.419 2.114 20 30 CEEDLP CCO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000926961393 632389152 /nfs/dbraw/zinc/38/91/52/632389152.db2.gz OILSSOVNKJQMIF-XJKSGUPXSA-N 2 2 275.396 2.176 20 30 CEEDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451797 635135877 /nfs/dbraw/zinc/13/58/77/635135877.db2.gz DSJHYUJHMJGOJJ-CQSZACIVSA-N 2 2 263.772 2.382 20 30 CEEDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451797 635135879 /nfs/dbraw/zinc/13/58/79/635135879.db2.gz DSJHYUJHMJGOJJ-CQSZACIVSA-N 2 2 263.772 2.382 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000823617781 635233909 /nfs/dbraw/zinc/23/39/09/635233909.db2.gz MSZLWFUVLBHJAD-PBHICJAKSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000823617781 635233915 /nfs/dbraw/zinc/23/39/15/635233915.db2.gz MSZLWFUVLBHJAD-PBHICJAKSA-N 2 2 287.407 2.008 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CC(F)(F)C2)cc1 ZINC000842036223 639927501 /nfs/dbraw/zinc/92/75/01/639927501.db2.gz JFOSJMMPTCLMAG-UHFFFAOYSA-N 2 2 297.349 2.430 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848532512 642038396 /nfs/dbraw/zinc/03/83/96/642038396.db2.gz BCHJEKFBXYNOCQ-UHFFFAOYSA-N 2 2 282.819 2.204 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000921508549 642038979 /nfs/dbraw/zinc/03/89/79/642038979.db2.gz OIJXCYGZKHBEDN-BETUJISGSA-N 2 2 293.436 2.209 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000921508549 642038981 /nfs/dbraw/zinc/03/89/81/642038981.db2.gz OIJXCYGZKHBEDN-BETUJISGSA-N 2 2 293.436 2.209 20 30 CEEDLP N#Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000921550186 642230890 /nfs/dbraw/zinc/23/08/90/642230890.db2.gz PXATYFQPZJYHOX-OLZOCXBDSA-N 2 2 261.394 2.336 20 30 CEEDLP N#Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000921550186 642230893 /nfs/dbraw/zinc/23/08/93/642230893.db2.gz PXATYFQPZJYHOX-OLZOCXBDSA-N 2 2 261.394 2.336 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877545591 650780110 /nfs/dbraw/zinc/78/01/10/650780110.db2.gz JCQOAGVWFQLQMW-SFHVURJKSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877545591 650780112 /nfs/dbraw/zinc/78/01/12/650780112.db2.gz JCQOAGVWFQLQMW-SFHVURJKSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000877545591 650780113 /nfs/dbraw/zinc/78/01/13/650780113.db2.gz JCQOAGVWFQLQMW-SFHVURJKSA-N 2 2 298.434 2.152 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000877545591 650780115 /nfs/dbraw/zinc/78/01/15/650780115.db2.gz JCQOAGVWFQLQMW-SFHVURJKSA-N 2 2 298.434 2.152 20 30 CEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773006484 646695071 /nfs/dbraw/zinc/69/50/71/646695071.db2.gz YRLNKRGMYUUZMA-JSGCOSHPSA-N 2 2 274.836 2.466 20 30 CEEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000773006484 646695073 /nfs/dbraw/zinc/69/50/73/646695073.db2.gz YRLNKRGMYUUZMA-JSGCOSHPSA-N 2 2 274.836 2.466 20 30 CEEDLP CCCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000863540018 646750963 /nfs/dbraw/zinc/75/09/63/646750963.db2.gz POGQRKRUWZKKDI-LSDHHAIUSA-N 2 2 254.418 2.313 20 30 CEEDLP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Cn1cc[nH+]c1 ZINC000865434177 647291301 /nfs/dbraw/zinc/29/13/01/647291301.db2.gz ZGXRGRLILBCMAN-AWEZNQCLSA-N 2 2 297.406 2.247 20 30 CEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000866363535 647756905 /nfs/dbraw/zinc/75/69/05/647756905.db2.gz JMORWJVYFABBFD-NWDGAFQWSA-N 2 2 261.369 2.112 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)nn2C)CC1 ZINC000793526648 648770403 /nfs/dbraw/zinc/77/04/03/648770403.db2.gz NFLMWVWHYXMODV-CQSZACIVSA-N 2 2 276.428 2.420 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCCOC2)CC1 ZINC000872033768 649247455 /nfs/dbraw/zinc/24/74/55/649247455.db2.gz JEPQFNTZWIAXBM-ZBFHGGJFSA-N 2 2 266.429 2.432 20 30 CEEDLP CC1([NH+]2CCC2)CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000880472386 651446704 /nfs/dbraw/zinc/44/67/04/651446704.db2.gz MEGJOQIXCJMGGJ-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000883194921 652396412 /nfs/dbraw/zinc/39/64/12/652396412.db2.gz GJJCFJIKTHJADI-OWCLPIDISA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CCCO1 ZINC000883194921 652396414 /nfs/dbraw/zinc/39/64/14/652396414.db2.gz GJJCFJIKTHJADI-OWCLPIDISA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001036080027 809856553 /nfs/dbraw/zinc/85/65/53/809856553.db2.gz WXEPKOGZOZLBKA-JSGCOSHPSA-N 2 2 298.390 2.189 20 30 CEEDLP C[C@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1CC[NH3+] ZINC001172294946 815386719 /nfs/dbraw/zinc/38/67/19/815386719.db2.gz OEXBEHAWHMMXFV-GFCCVEGCSA-N 2 2 254.337 2.060 20 30 CEEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415785 811751485 /nfs/dbraw/zinc/75/14/85/811751485.db2.gz RWZZFFXSQFDHEY-KRWDZBQOSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415785 811751492 /nfs/dbraw/zinc/75/14/92/811751492.db2.gz RWZZFFXSQFDHEY-KRWDZBQOSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001054921599 812667324 /nfs/dbraw/zinc/66/73/24/812667324.db2.gz BSIUEMNSIGWESB-DOMZBBRYSA-N 2 2 287.407 2.243 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086732952 813417155 /nfs/dbraw/zinc/41/71/55/813417155.db2.gz MLBXTKZGKHEIFU-GXTWGEPZSA-N 2 2 298.390 2.237 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)n1cc[nH+]c1CC[NH3+] ZINC001171181200 814068638 /nfs/dbraw/zinc/06/86/38/814068638.db2.gz HTBGACBQKFDMKI-GFCCVEGCSA-N 2 2 254.337 2.060 20 30 CEEDLP C#CC[NH+](CC#C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027467 816170603 /nfs/dbraw/zinc/17/06/03/816170603.db2.gz NCOIHLMEMBXLNU-UHFFFAOYSA-N 2 2 263.344 2.249 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501786 816214994 /nfs/dbraw/zinc/21/49/94/816214994.db2.gz FUIUTWHBNADMOD-HUUCEWRRSA-N 2 2 292.427 2.285 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000401798489 816574138 /nfs/dbraw/zinc/57/41/38/816574138.db2.gz RGAZWOLHWFOARU-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000401798489 816574145 /nfs/dbraw/zinc/57/41/45/816574145.db2.gz RGAZWOLHWFOARU-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333112 346822843 /nfs/dbraw/zinc/82/28/43/346822843.db2.gz AJOKGJJFOFZTEI-HOCLYGCPSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333112 346822846 /nfs/dbraw/zinc/82/28/46/346822846.db2.gz AJOKGJJFOFZTEI-HOCLYGCPSA-N 2 2 255.365 2.132 20 30 CEEDLP C[NH+](C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000036192070 361836061 /nfs/dbraw/zinc/83/60/61/361836061.db2.gz ZCUZWGHFMMNGKR-UHFFFAOYSA-N 2 2 287.407 2.353 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](CNCc1[nH]cc[nH+]1)C(C)C ZINC000150951011 344418854 /nfs/dbraw/zinc/41/88/54/344418854.db2.gz GQRSKTNJACTNOL-AWEZNQCLSA-N 2 2 262.401 2.198 20 30 CEEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602514623 347063345 /nfs/dbraw/zinc/06/33/45/347063345.db2.gz OQPWKOMSHRVSRE-GJZGRUSLSA-N 2 2 286.423 2.411 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000592085005 345320717 /nfs/dbraw/zinc/32/07/17/345320717.db2.gz YCCICARNFPLMMH-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000592085005 345320719 /nfs/dbraw/zinc/32/07/19/345320719.db2.gz YCCICARNFPLMMH-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000591577244 345265891 /nfs/dbraw/zinc/26/58/91/345265891.db2.gz GCCGQFAELGTTCI-GDBMZVCRSA-N 2 2 255.365 2.277 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@@H+]1C1CC1 ZINC000592371145 345347000 /nfs/dbraw/zinc/34/70/00/345347000.db2.gz RLVZFUKIJLGSAS-CJNGLKHVSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@H+]1C1CC1 ZINC000592371145 345347001 /nfs/dbraw/zinc/34/70/01/345347001.db2.gz RLVZFUKIJLGSAS-CJNGLKHVSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CO1 ZINC000593691503 345521082 /nfs/dbraw/zinc/52/10/82/345521082.db2.gz ATYALBSKFIVWDK-KSSFIOAISA-N 2 2 299.418 2.290 20 30 CEEDLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000595641027 345835303 /nfs/dbraw/zinc/83/53/03/345835303.db2.gz XBCZIRSLNGHJOP-UHFFFAOYSA-N 2 2 254.337 2.280 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000598598796 346380944 /nfs/dbraw/zinc/38/09/44/346380944.db2.gz VWSOIBSXOMHMCJ-QLFBSQMISA-N 2 2 290.411 2.067 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000598598796 346380948 /nfs/dbraw/zinc/38/09/48/346380948.db2.gz VWSOIBSXOMHMCJ-QLFBSQMISA-N 2 2 290.411 2.067 20 30 CEEDLP Cc1c[nH]c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH+]1 ZINC000600162471 346610675 /nfs/dbraw/zinc/61/06/75/346610675.db2.gz ZLDJTWRADMTCSE-UHFFFAOYSA-N 2 2 297.406 2.154 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000600708998 346674975 /nfs/dbraw/zinc/67/49/75/346674975.db2.gz MWHJMRNYRLXEEE-NZVBXONLSA-N 2 2 261.344 2.488 20 30 CEEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000600713587 346676809 /nfs/dbraw/zinc/67/68/09/346676809.db2.gz JTFADDZADZRMTE-IUIKQTSFSA-N 2 2 255.365 2.276 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000131344646 366044435 /nfs/dbraw/zinc/04/44/35/366044435.db2.gz DWQNPBOESZQGBY-CABCVRRESA-N 2 2 285.395 2.118 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000131344646 366044440 /nfs/dbraw/zinc/04/44/40/366044440.db2.gz DWQNPBOESZQGBY-CABCVRRESA-N 2 2 285.395 2.118 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000135674268 366466599 /nfs/dbraw/zinc/46/65/99/366466599.db2.gz FEHNSRSTZVOTQL-UHFFFAOYSA-N 2 2 261.394 2.336 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000151066647 366616721 /nfs/dbraw/zinc/61/67/21/366616721.db2.gz XYWBKCYTJHMNPK-IUODEOHRSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N ZINC000151066647 366616724 /nfs/dbraw/zinc/61/67/24/366616724.db2.gz XYWBKCYTJHMNPK-IUODEOHRSA-N 2 2 285.391 2.282 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)o2)CC1 ZINC000182188144 189316695 /nfs/dbraw/zinc/31/66/95/189316695.db2.gz XWBGJERFYVUBCU-UHFFFAOYSA-N 2 2 292.379 2.196 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1C1CC1 ZINC000179880446 368356391 /nfs/dbraw/zinc/35/63/91/368356391.db2.gz WMKBIGPKDXIAAO-HIFRSBDPSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1C1CC1 ZINC000179880446 368356399 /nfs/dbraw/zinc/35/63/99/368356399.db2.gz WMKBIGPKDXIAAO-HIFRSBDPSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335498455 212178501 /nfs/dbraw/zinc/17/85/01/212178501.db2.gz NJHSJPHPMXXIEF-BXUZGUMPSA-N 2 2 261.344 2.490 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190977867 369665710 /nfs/dbraw/zinc/66/57/10/369665710.db2.gz QJHACUYIAAMVQR-UHFFFAOYSA-N 2 2 291.443 2.163 20 30 CEEDLP C[N@H+](CC#Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000192037971 369766711 /nfs/dbraw/zinc/76/67/11/369766711.db2.gz HUZWKOHVDIOOAK-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000192037971 369766714 /nfs/dbraw/zinc/76/67/14/369766714.db2.gz HUZWKOHVDIOOAK-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP C[NH+](CC#Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000192037971 369766717 /nfs/dbraw/zinc/76/67/17/369766717.db2.gz HUZWKOHVDIOOAK-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP C[NH+](CC#Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000192037971 369766719 /nfs/dbraw/zinc/76/67/19/369766719.db2.gz HUZWKOHVDIOOAK-QGZVFWFLSA-N 2 2 256.393 2.312 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261637828 371687218 /nfs/dbraw/zinc/68/72/18/371687218.db2.gz IAKDFHLTJAYSDZ-IUODEOHRSA-N 2 2 273.380 2.126 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261637828 371687223 /nfs/dbraw/zinc/68/72/23/371687223.db2.gz IAKDFHLTJAYSDZ-IUODEOHRSA-N 2 2 273.380 2.126 20 30 CEEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)NC1CCCCC1 ZINC000264122938 371973552 /nfs/dbraw/zinc/97/35/52/371973552.db2.gz RJGIQCPNZDUMDJ-UHFFFAOYSA-N 2 2 285.395 2.342 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000365420127 372857421 /nfs/dbraw/zinc/85/74/21/372857421.db2.gz DNCBVZGCFRXKNK-HNNXBMFYSA-N 2 2 297.406 2.122 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000365420127 372857430 /nfs/dbraw/zinc/85/74/30/372857430.db2.gz DNCBVZGCFRXKNK-HNNXBMFYSA-N 2 2 297.406 2.122 20 30 CEEDLP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000365420127 372857439 /nfs/dbraw/zinc/85/74/39/372857439.db2.gz DNCBVZGCFRXKNK-HNNXBMFYSA-N 2 2 297.406 2.122 20 30 CEEDLP C=CCOCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000643479636 373145493 /nfs/dbraw/zinc/14/54/93/373145493.db2.gz XKWLUIJWCXJXHR-IRXDYDNUSA-N 2 2 290.407 2.281 20 30 CEEDLP N#Cc1ccc(N2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000285830046 375843273 /nfs/dbraw/zinc/84/32/73/375843273.db2.gz WWLMOTXKFAWFGO-UHFFFAOYSA-N 2 2 298.434 2.212 20 30 CEEDLP C#C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000289596240 376413444 /nfs/dbraw/zinc/41/34/44/376413444.db2.gz UYZOGKSQBGOQHS-HNNXBMFYSA-N 2 2 257.381 2.298 20 30 CEEDLP C[C@H](CC#N)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945916 376745294 /nfs/dbraw/zinc/74/52/94/376745294.db2.gz ZJMJOJVNWNDMLB-OAHLLOKOSA-N 2 2 287.407 2.253 20 30 CEEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945916 376745301 /nfs/dbraw/zinc/74/53/01/376745301.db2.gz ZJMJOJVNWNDMLB-OAHLLOKOSA-N 2 2 287.407 2.253 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000264876808 190140902 /nfs/dbraw/zinc/14/09/02/190140902.db2.gz QCAVVUWSUNVWIZ-UHFFFAOYSA-N 2 2 258.369 2.416 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000565221679 377616317 /nfs/dbraw/zinc/61/63/17/377616317.db2.gz LLDRFIZBOXMNAD-UHFFFAOYSA-N 2 2 255.365 2.262 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000565221679 377616326 /nfs/dbraw/zinc/61/63/26/377616326.db2.gz LLDRFIZBOXMNAD-UHFFFAOYSA-N 2 2 255.365 2.262 20 30 CEEDLP C=CC[N@@H+](CCC[NH2+]C)Cc1cccc([N+](=O)[O-])c1 ZINC000435869758 377811332 /nfs/dbraw/zinc/81/13/32/377811332.db2.gz KZDWFMYYTQKFDL-UHFFFAOYSA-N 2 2 263.341 2.192 20 30 CEEDLP C=CC[N@H+](CCC[NH2+]C)Cc1cccc([N+](=O)[O-])c1 ZINC000435869758 377811339 /nfs/dbraw/zinc/81/13/39/377811339.db2.gz KZDWFMYYTQKFDL-UHFFFAOYSA-N 2 2 263.341 2.192 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000295060080 378039164 /nfs/dbraw/zinc/03/91/64/378039164.db2.gz RBULXFVRJXQALM-GOSISDBHSA-N 2 2 296.418 2.054 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000295060080 378039170 /nfs/dbraw/zinc/03/91/70/378039170.db2.gz RBULXFVRJXQALM-GOSISDBHSA-N 2 2 296.418 2.054 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393885 378211759 /nfs/dbraw/zinc/21/17/59/378211759.db2.gz MRSPKMWDNKGIHD-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393885 378211760 /nfs/dbraw/zinc/21/17/60/378211760.db2.gz MRSPKMWDNKGIHD-HUUCEWRRSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487288933 380085706 /nfs/dbraw/zinc/08/57/06/380085706.db2.gz OHYDOANWQYIBEH-ONEGZZNKSA-N 2 2 257.381 2.335 20 30 CEEDLP CC1CCN(C(=[NH2+])NCCCCNc2cccc[nH+]2)CC1 ZINC000303364857 394479624 /nfs/dbraw/zinc/47/96/24/394479624.db2.gz FYSNMDRQNBTCLJ-UHFFFAOYSA-N 2 2 289.427 2.320 20 30 CEEDLP CC1=CC[N@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329539198 394570736 /nfs/dbraw/zinc/57/07/36/394570736.db2.gz CICMUQQWNRJMBH-AWEZNQCLSA-N 2 2 288.395 2.054 20 30 CEEDLP CC1=CC[N@@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329539198 394570742 /nfs/dbraw/zinc/57/07/42/394570742.db2.gz CICMUQQWNRJMBH-AWEZNQCLSA-N 2 2 288.395 2.054 20 30 CEEDLP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261954561 394610151 /nfs/dbraw/zinc/61/01/51/394610151.db2.gz IJHVOHLAVQRISM-BARDWOONSA-N 2 2 289.427 2.140 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]CCN1C)c1ccsc1 ZINC000262663040 394622771 /nfs/dbraw/zinc/62/27/71/394622771.db2.gz NLXZRCXURQZIGM-ZDUSSCGKSA-N 2 2 280.441 2.022 20 30 CEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000361028124 394812332 /nfs/dbraw/zinc/81/23/32/394812332.db2.gz GVQCRYGYXKRZJW-SIRPWMCASA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000361028124 394812334 /nfs/dbraw/zinc/81/23/34/394812334.db2.gz GVQCRYGYXKRZJW-SIRPWMCASA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423378201 394907927 /nfs/dbraw/zinc/90/79/27/394907927.db2.gz ZMNQVONSIXHBCU-XFBWCDHKSA-N 2 2 255.365 2.133 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000339024530 394937171 /nfs/dbraw/zinc/93/71/71/394937171.db2.gz YADJEHHZORWBAY-LSDHHAIUSA-N 2 2 270.380 2.204 20 30 CEEDLP N#CCCOCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339080553 394940561 /nfs/dbraw/zinc/94/05/61/394940561.db2.gz BNUUGJHWESSVJA-UHFFFAOYSA-N 2 2 290.411 2.306 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000153635534 395013147 /nfs/dbraw/zinc/01/31/47/395013147.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000153635534 395013152 /nfs/dbraw/zinc/01/31/52/395013152.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000153635534 395013153 /nfs/dbraw/zinc/01/31/53/395013153.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000153635534 395013157 /nfs/dbraw/zinc/01/31/57/395013157.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 2 299.418 2.483 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348718243 395149801 /nfs/dbraw/zinc/14/98/01/395149801.db2.gz WUIVRKBVQDDSBT-UHFFFAOYSA-N 2 2 299.353 2.403 20 30 CEEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000572853002 395591204 /nfs/dbraw/zinc/59/12/04/395591204.db2.gz URHCZVVPIXHNNT-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000572853002 395591206 /nfs/dbraw/zinc/59/12/06/395591206.db2.gz URHCZVVPIXHNNT-UHFFFAOYSA-N 2 2 272.396 2.259 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000651818798 401398541 /nfs/dbraw/zinc/39/85/41/401398541.db2.gz FUIAAAQCFZOZAR-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000651818798 401398543 /nfs/dbraw/zinc/39/85/43/401398543.db2.gz FUIAAAQCFZOZAR-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178593 157195544 /nfs/dbraw/zinc/19/55/44/157195544.db2.gz RZZLEUFDYPJWEB-QGTPRVQTSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178593 157195545 /nfs/dbraw/zinc/19/55/45/157195545.db2.gz RZZLEUFDYPJWEB-QGTPRVQTSA-N 2 2 299.418 2.462 20 30 CEEDLP C=C(CC)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478144 414842480 /nfs/dbraw/zinc/84/24/80/414842480.db2.gz KGFNLLFJZWYLJZ-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=C(CC)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478144 414842486 /nfs/dbraw/zinc/84/24/86/414842486.db2.gz KGFNLLFJZWYLJZ-OAHLLOKOSA-N 2 2 252.402 2.139 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)nn1 ZINC000657317573 414853919 /nfs/dbraw/zinc/85/39/19/414853919.db2.gz ZINFHXPDFZOYIQ-HNNXBMFYSA-N 2 2 291.443 2.066 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657353571 414879151 /nfs/dbraw/zinc/87/91/51/414879151.db2.gz RWDUHTPJYDATEQ-UHFFFAOYSA-N 2 2 288.439 2.428 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293908 415300720 /nfs/dbraw/zinc/30/07/20/415300720.db2.gz KBAFWEKJWYRQCV-DZGCQCFKSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294982 415301317 /nfs/dbraw/zinc/30/13/17/415301317.db2.gz QJULQJSDAROOAS-DZKIICNBSA-N 2 2 266.429 2.430 20 30 CEEDLP C=CC[NH+](CCc1ccco1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660225685 415930021 /nfs/dbraw/zinc/93/00/21/415930021.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[NH+](CCc1ccco1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660225685 415930026 /nfs/dbraw/zinc/93/00/26/415930026.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660225685 415930027 /nfs/dbraw/zinc/93/00/27/415930027.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 2 280.412 2.011 20 30 CEEDLP C=CC[N@H+](CCc1ccco1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660225685 415930032 /nfs/dbraw/zinc/93/00/32/415930032.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 2 280.412 2.011 20 30 CEEDLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329972918 228003220 /nfs/dbraw/zinc/00/32/20/228003220.db2.gz YKHLCVISUYXRHU-BXUZGUMPSA-N 2 2 275.352 2.042 20 30 CEEDLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329972918 228003223 /nfs/dbraw/zinc/00/32/23/228003223.db2.gz YKHLCVISUYXRHU-BXUZGUMPSA-N 2 2 275.352 2.042 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCCCCC1 ZINC000330291765 228102111 /nfs/dbraw/zinc/10/21/11/228102111.db2.gz CXVIZMKDUGIPET-ZIAGYGMSSA-N 2 2 290.411 2.419 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330283524 228092015 /nfs/dbraw/zinc/09/20/15/228092015.db2.gz WFSMFMDOSUIGNZ-RQJABVFESA-N 2 2 290.411 2.416 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330283524 228092017 /nfs/dbraw/zinc/09/20/17/228092017.db2.gz WFSMFMDOSUIGNZ-RQJABVFESA-N 2 2 290.411 2.416 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000368051633 267142996 /nfs/dbraw/zinc/14/29/96/267142996.db2.gz OOVHLAQOAGNFCJ-QGZVFWFLSA-N 2 2 271.408 2.293 20 30 CEEDLP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C#N)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000332269448 278173999 /nfs/dbraw/zinc/17/39/99/278173999.db2.gz CDVRPFNUGRWVQX-QCODTGAPSA-N 2 2 274.412 2.329 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000069671186 288163523 /nfs/dbraw/zinc/16/35/23/288163523.db2.gz KYWQFFFNTYABOW-GASCZTMLSA-N 2 2 287.407 2.147 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000069671186 288163524 /nfs/dbraw/zinc/16/35/24/288163524.db2.gz KYWQFFFNTYABOW-GASCZTMLSA-N 2 2 287.407 2.147 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000535315458 313391090 /nfs/dbraw/zinc/39/10/90/313391090.db2.gz XHTNQSOPWUMOLQ-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000535315458 313391094 /nfs/dbraw/zinc/39/10/94/313391094.db2.gz XHTNQSOPWUMOLQ-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267036142 328172016 /nfs/dbraw/zinc/17/20/16/328172016.db2.gz XGCNPYCZDKLWBM-UHFFFAOYSA-N 2 2 261.369 2.351 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc(OC)c1O ZINC000414940840 328277721 /nfs/dbraw/zinc/27/77/21/328277721.db2.gz YBWDDJPPBOSXJY-WFASDCNBSA-N 2 2 290.407 2.217 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562656703 327502772 /nfs/dbraw/zinc/50/27/72/327502772.db2.gz IPJWYBBRXKFETH-NHAGDIPZSA-N 2 2 252.402 2.182 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000378547070 329054688 /nfs/dbraw/zinc/05/46/88/329054688.db2.gz RPWMHQAHPITRIW-WBVHZDCISA-N 2 2 289.423 2.084 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000378547070 329054690 /nfs/dbraw/zinc/05/46/90/329054690.db2.gz RPWMHQAHPITRIW-WBVHZDCISA-N 2 2 289.423 2.084 20 30 CEEDLP C=CCCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000582706968 329132759 /nfs/dbraw/zinc/13/27/59/329132759.db2.gz XCSGHWODHICZDX-UHFFFAOYSA-N 2 2 289.427 2.021 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)COC)C(C)C ZINC000268857520 330066574 /nfs/dbraw/zinc/06/65/74/330066574.db2.gz XZIPQEAWNPKJKY-CABCVRRESA-N 2 2 254.418 2.310 20 30 CEEDLP C=CCC[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230426 330180781 /nfs/dbraw/zinc/18/07/81/330180781.db2.gz JGQXEKDPDBCFIP-CYBMUJFWSA-N 2 2 260.385 2.258 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000423497414 330207830 /nfs/dbraw/zinc/20/78/30/330207830.db2.gz YTJXADVWJXXVJV-KGLIPLIRSA-N 2 2 264.369 2.255 20 30 CEEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424125884 330258897 /nfs/dbraw/zinc/25/88/97/330258897.db2.gz AUEGGNQLHPVTMO-AWEZNQCLSA-N 2 2 297.362 2.047 20 30 CEEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc(OC)c1O ZINC000347056376 527237553 /nfs/dbraw/zinc/23/75/53/527237553.db2.gz UTQXZFOVMOQUSJ-CQSZACIVSA-N 2 2 276.380 2.052 20 30 CEEDLP C=CCc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])cc(OC)c1O ZINC000347056376 527237557 /nfs/dbraw/zinc/23/75/57/527237557.db2.gz UTQXZFOVMOQUSJ-CQSZACIVSA-N 2 2 276.380 2.052 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329969814 529018959 /nfs/dbraw/zinc/01/89/59/529018959.db2.gz WUEJUARYHUIXBI-KGLIPLIRSA-N 2 2 290.411 2.275 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329969814 529018962 /nfs/dbraw/zinc/01/89/62/529018962.db2.gz WUEJUARYHUIXBI-KGLIPLIRSA-N 2 2 290.411 2.275 20 30 CEEDLP CN(C)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)cc1F ZINC000727651291 574454117 /nfs/dbraw/zinc/45/41/17/574454117.db2.gz RVEXIGQTLCFTEY-UHFFFAOYSA-N 2 2 292.402 2.301 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000892881638 627828391 /nfs/dbraw/zinc/82/83/91/627828391.db2.gz ZZDUYBOGHKAQTM-UHFFFAOYSA-N 2 2 274.412 2.038 20 30 CEEDLP C#C[C@@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796049378 629753429 /nfs/dbraw/zinc/75/34/29/629753429.db2.gz JDEQUUFEKARFCO-QGZVFWFLSA-N 2 2 285.435 2.152 20 30 CEEDLP C#C[C@@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796049378 629753452 /nfs/dbraw/zinc/75/34/52/629753452.db2.gz JDEQUUFEKARFCO-QGZVFWFLSA-N 2 2 285.435 2.152 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986279421 631224867 /nfs/dbraw/zinc/22/48/67/631224867.db2.gz KNQDUYDOBHNJFA-DZGCQCFKSA-N 2 2 298.390 2.021 20 30 CEEDLP C#Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000809603452 632108661 /nfs/dbraw/zinc/10/86/61/632108661.db2.gz PNZSYBYPLQRGMB-HOTGVXAUSA-N 2 2 286.419 2.257 20 30 CEEDLP C=CCCCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817932591 633785454 /nfs/dbraw/zinc/78/54/54/633785454.db2.gz UZEQKQAGTVUVOG-HZPDHXFCSA-N 2 2 266.429 2.480 20 30 CEEDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817972322 633815010 /nfs/dbraw/zinc/81/50/10/633815010.db2.gz KZGGHPQLOSTHON-CHWSQXEVSA-N 2 2 261.369 2.238 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000819079308 634063347 /nfs/dbraw/zinc/06/33/47/634063347.db2.gz BVBWDSWUKURVFZ-MRXNPFEDSA-N 2 2 296.374 2.078 20 30 CEEDLP CC(C)[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509605 638713881 /nfs/dbraw/zinc/71/38/81/638713881.db2.gz LDSRBNVVMVZIJT-UHFFFAOYSA-N 2 2 279.432 2.405 20 30 CEEDLP CCC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509664 638714352 /nfs/dbraw/zinc/71/43/52/638714352.db2.gz OAEGHEPKGBAGIS-UHFFFAOYSA-N 2 2 279.432 2.407 20 30 CEEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877026504 650536485 /nfs/dbraw/zinc/53/64/85/650536485.db2.gz BHRYALNKTWWDJQ-LLVKDONJSA-N 2 2 278.787 2.038 20 30 CEEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877026504 650536489 /nfs/dbraw/zinc/53/64/89/650536489.db2.gz BHRYALNKTWWDJQ-LLVKDONJSA-N 2 2 278.787 2.038 20 30 CEEDLP C=CC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000996515437 642110243 /nfs/dbraw/zinc/11/02/43/642110243.db2.gz YMSSSWKXBPQRNB-UHFFFAOYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(NCCC)[nH+]cn2)CC1 ZINC000865521615 647337947 /nfs/dbraw/zinc/33/79/47/647337947.db2.gz CQLVNWMLYZXBOG-UHFFFAOYSA-N 2 2 275.400 2.361 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)nn2C)CC1 ZINC000793529251 648771123 /nfs/dbraw/zinc/77/11/23/648771123.db2.gz WADTXBHZZTZNFN-ZDUSSCGKSA-N 2 2 262.401 2.030 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000883131381 652372911 /nfs/dbraw/zinc/37/29/11/652372911.db2.gz ZQSNTVZSADZFOU-AWEZNQCLSA-N 2 2 293.436 2.039 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000883131381 652372916 /nfs/dbraw/zinc/37/29/16/652372916.db2.gz ZQSNTVZSADZFOU-AWEZNQCLSA-N 2 2 293.436 2.039 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000883131305 652373043 /nfs/dbraw/zinc/37/30/43/652373043.db2.gz VKTHDOHHECNJNJ-UHFFFAOYSA-N 2 2 282.391 2.121 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000883131305 652373045 /nfs/dbraw/zinc/37/30/45/652373045.db2.gz VKTHDOHHECNJNJ-UHFFFAOYSA-N 2 2 282.391 2.121 20 30 CEEDLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000883450799 652473797 /nfs/dbraw/zinc/47/37/97/652473797.db2.gz XXRVQEWFUWEANR-MRXNPFEDSA-N 2 2 257.381 2.175 20 30 CEEDLP C[NH2+]C[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000883450799 652473800 /nfs/dbraw/zinc/47/38/00/652473800.db2.gz XXRVQEWFUWEANR-MRXNPFEDSA-N 2 2 257.381 2.175 20 30 CEEDLP C#CC[N@H+]1CCC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000884612482 652944153 /nfs/dbraw/zinc/94/41/53/652944153.db2.gz MIEFHLHKKRKVSS-CYBMUJFWSA-N 2 2 268.364 2.083 20 30 CEEDLP C#CC[N@@H+]1CCC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000884612482 652944155 /nfs/dbraw/zinc/94/41/55/652944155.db2.gz MIEFHLHKKRKVSS-CYBMUJFWSA-N 2 2 268.364 2.083 20 30 CEEDLP N#Cc1cc(F)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001139872958 804691530 /nfs/dbraw/zinc/69/15/30/804691530.db2.gz SJBXNTULJYQQGZ-UHFFFAOYSA-N 2 2 296.349 2.415 20 30 CEEDLP N#CCCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168433414 807406429 /nfs/dbraw/zinc/40/64/29/807406429.db2.gz BRNACVVQCPMFII-OAHLLOKOSA-N 2 2 272.396 2.325 20 30 CEEDLP N#CCCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168433414 807406434 /nfs/dbraw/zinc/40/64/34/807406434.db2.gz BRNACVVQCPMFII-OAHLLOKOSA-N 2 2 272.396 2.325 20 30 CEEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001031237256 807828086 /nfs/dbraw/zinc/82/80/86/807828086.db2.gz XOLLAOGLHHFCDN-INIZCTEOSA-N 2 2 293.455 2.018 20 30 CEEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031237256 807828093 /nfs/dbraw/zinc/82/80/93/807828093.db2.gz XOLLAOGLHHFCDN-INIZCTEOSA-N 2 2 293.455 2.018 20 30 CEEDLP CCCCCCCC[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC001121926764 815367284 /nfs/dbraw/zinc/36/72/84/815367284.db2.gz RWEJSABNYMFSSP-CYBMUJFWSA-N 2 2 280.416 2.412 20 30 CEEDLP C[C@@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172487323 815430378 /nfs/dbraw/zinc/43/03/78/815430378.db2.gz ARTMXLJDWFVFPI-BBRMVZONSA-N 2 2 257.381 2.454 20 30 CEEDLP C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001172487323 815430382 /nfs/dbraw/zinc/43/03/82/815430382.db2.gz ARTMXLJDWFVFPI-BBRMVZONSA-N 2 2 257.381 2.454 20 30 CEEDLP C[C@H](CCCC#N)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172496735 815454535 /nfs/dbraw/zinc/45/45/35/815454535.db2.gz PNNSXTUVTQXLAG-CYBMUJFWSA-N 2 2 299.378 2.360 20 30 CEEDLP C[C@H](CCCC#N)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172496735 815454538 /nfs/dbraw/zinc/45/45/38/815454538.db2.gz PNNSXTUVTQXLAG-CYBMUJFWSA-N 2 2 299.378 2.360 20 30 CEEDLP CCCCCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113385103 812229413 /nfs/dbraw/zinc/22/94/13/812229413.db2.gz ZHFUOHGHQPXNER-UHFFFAOYSA-N 2 2 292.427 2.067 20 30 CEEDLP C=CCCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130006655 812526354 /nfs/dbraw/zinc/52/63/54/812526354.db2.gz OCYCGXHRQGXJMJ-HNNXBMFYSA-N 2 2 292.427 2.142 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]c1ccc(N)c(C)c1 ZINC001171069363 813798285 /nfs/dbraw/zinc/79/82/85/813798285.db2.gz FRSXEXCFXJOBKE-HNNXBMFYSA-N 2 2 291.395 2.216 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(CC)[nH+]1 ZINC001171072344 813802813 /nfs/dbraw/zinc/80/28/13/813802813.db2.gz JSMJGSGLQYGMES-AWEZNQCLSA-N 2 2 291.395 2.283 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351454 816553406 /nfs/dbraw/zinc/55/34/06/816553406.db2.gz CGKOBRDSYYXHRK-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000037157781 361900481 /nfs/dbraw/zinc/90/04/81/361900481.db2.gz UGNWNMXXYHOGEP-QWHCGFSZSA-N 2 2 254.337 2.494 20 30 CEEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602435826 347032134 /nfs/dbraw/zinc/03/21/34/347032134.db2.gz LKCKVUGYVYIYME-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602435826 347032137 /nfs/dbraw/zinc/03/21/37/347032137.db2.gz LKCKVUGYVYIYME-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602473596 347047498 /nfs/dbraw/zinc/04/74/98/347047498.db2.gz BLXNCCWJICRPCA-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602473596 347047502 /nfs/dbraw/zinc/04/75/02/347047502.db2.gz BLXNCCWJICRPCA-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049159 /nfs/dbraw/zinc/04/91/59/347049159.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049161 /nfs/dbraw/zinc/04/91/61/347049161.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049162 /nfs/dbraw/zinc/04/91/62/347049162.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049164 /nfs/dbraw/zinc/04/91/64/347049164.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602502099 347059551 /nfs/dbraw/zinc/05/95/51/347059551.db2.gz IGHQPLXUDSSEJS-CQSZACIVSA-N 2 2 272.396 2.307 20 30 CEEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602502099 347059553 /nfs/dbraw/zinc/05/95/53/347059553.db2.gz IGHQPLXUDSSEJS-CQSZACIVSA-N 2 2 272.396 2.307 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602506521 347060342 /nfs/dbraw/zinc/06/03/42/347060342.db2.gz CTXVGWQMUWTVEU-UYSNPLJNSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602506521 347060344 /nfs/dbraw/zinc/06/03/44/347060344.db2.gz CTXVGWQMUWTVEU-UYSNPLJNSA-N 2 2 279.428 2.015 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000592083377 345320069 /nfs/dbraw/zinc/32/00/69/345320069.db2.gz OSUYWJPTWGBPEF-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000592083377 345320071 /nfs/dbraw/zinc/32/00/71/345320071.db2.gz OSUYWJPTWGBPEF-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000592085004 345320384 /nfs/dbraw/zinc/32/03/84/345320384.db2.gz YCCICARNFPLMMH-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000592085004 345320387 /nfs/dbraw/zinc/32/03/87/345320387.db2.gz YCCICARNFPLMMH-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000591576840 345265472 /nfs/dbraw/zinc/26/54/72/345265472.db2.gz HJBNLKKTXDPYPY-GOEBONIOSA-N 2 2 255.365 2.277 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000591577861 345265928 /nfs/dbraw/zinc/26/59/28/345265928.db2.gz JDRPXMFIFCDPCB-ZBFHGGJFSA-N 2 2 255.365 2.277 20 30 CEEDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1C#N ZINC000592437323 345353286 /nfs/dbraw/zinc/35/32/86/345353286.db2.gz HNCNWJQHKWWRGY-INIZCTEOSA-N 2 2 285.391 2.331 20 30 CEEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000594435838 345629718 /nfs/dbraw/zinc/62/97/18/345629718.db2.gz AHBFWQKKCWLAEQ-CQSZACIVSA-N 2 2 297.362 2.426 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917274 345701194 /nfs/dbraw/zinc/70/11/94/345701194.db2.gz IQBULHOZUQGESI-MRXNPFEDSA-N 2 2 269.392 2.426 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917274 345701197 /nfs/dbraw/zinc/70/11/97/345701197.db2.gz IQBULHOZUQGESI-MRXNPFEDSA-N 2 2 269.392 2.426 20 30 CEEDLP C[NH+](C)C1CC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594944620 345712608 /nfs/dbraw/zinc/71/26/08/345712608.db2.gz AHQGZGVDEKYEKF-UHFFFAOYSA-N 2 2 269.392 2.424 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505231 345797943 /nfs/dbraw/zinc/79/79/43/345797943.db2.gz QXXIIBOYSSBYJR-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505231 345797946 /nfs/dbraw/zinc/79/79/46/345797946.db2.gz QXXIIBOYSSBYJR-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505231 345797950 /nfs/dbraw/zinc/79/79/50/345797950.db2.gz QXXIIBOYSSBYJR-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505231 345797952 /nfs/dbraw/zinc/79/79/52/345797952.db2.gz QXXIIBOYSSBYJR-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000599084150 346457860 /nfs/dbraw/zinc/45/78/60/346457860.db2.gz OWARVSDNNSGZNQ-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C#N ZINC000600744074 346682899 /nfs/dbraw/zinc/68/28/99/346682899.db2.gz KJROEVYFQUNYJS-CALCHBBNSA-N 2 2 269.392 2.298 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C#N ZINC000600744074 346682902 /nfs/dbraw/zinc/68/29/02/346682902.db2.gz KJROEVYFQUNYJS-CALCHBBNSA-N 2 2 269.392 2.298 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768309 346686511 /nfs/dbraw/zinc/68/65/11/346686511.db2.gz HMIWTWKHCKLLQR-WFASDCNBSA-N 2 2 259.353 2.115 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768309 346686515 /nfs/dbraw/zinc/68/65/15/346686515.db2.gz HMIWTWKHCKLLQR-WFASDCNBSA-N 2 2 259.353 2.115 20 30 CEEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713699 347166580 /nfs/dbraw/zinc/16/65/80/347166580.db2.gz QCLQGGAQPBKUJJ-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713699 347166582 /nfs/dbraw/zinc/16/65/82/347166582.db2.gz QCLQGGAQPBKUJJ-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664479 347131220 /nfs/dbraw/zinc/13/12/20/347131220.db2.gz FDUZYYQNKCSDJK-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664479 347131224 /nfs/dbraw/zinc/13/12/24/347131224.db2.gz FDUZYYQNKCSDJK-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(F)c1C#N ZINC000602664479 347131225 /nfs/dbraw/zinc/13/12/25/347131225.db2.gz FDUZYYQNKCSDJK-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000602664479 347131228 /nfs/dbraw/zinc/13/12/28/347131228.db2.gz FDUZYYQNKCSDJK-LRDDRELGSA-N 2 2 275.371 2.469 20 30 CEEDLP C=CCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088305 350651046 /nfs/dbraw/zinc/65/10/46/350651046.db2.gz SJWOMGGUVOEMLX-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP C#CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132223861 366128095 /nfs/dbraw/zinc/12/80/95/366128095.db2.gz GQUIDANDASOIKP-NVXWUHKLSA-N 2 2 256.393 2.305 20 30 CEEDLP C#CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132223861 366128097 /nfs/dbraw/zinc/12/80/97/366128097.db2.gz GQUIDANDASOIKP-NVXWUHKLSA-N 2 2 256.393 2.305 20 30 CEEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132223652 366128124 /nfs/dbraw/zinc/12/81/24/366128124.db2.gz GQUIDANDASOIKP-DOTOQJQBSA-N 2 2 256.393 2.305 20 30 CEEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132223652 366128127 /nfs/dbraw/zinc/12/81/27/366128127.db2.gz GQUIDANDASOIKP-DOTOQJQBSA-N 2 2 256.393 2.305 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081572808 363731526 /nfs/dbraw/zinc/73/15/26/363731526.db2.gz BBRSWBIQWBEKOY-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081572808 363731531 /nfs/dbraw/zinc/73/15/31/363731531.db2.gz BBRSWBIQWBEKOY-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081572808 363731532 /nfs/dbraw/zinc/73/15/32/363731532.db2.gz BBRSWBIQWBEKOY-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081572808 363731536 /nfs/dbraw/zinc/73/15/36/363731536.db2.gz BBRSWBIQWBEKOY-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP FC(F)(F)c1ccc(C#CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249350 540736140 /nfs/dbraw/zinc/73/61/40/540736140.db2.gz PVXSZBXRWOZOPH-OKILXGFUSA-N 2 2 294.320 2.208 20 30 CEEDLP FC(F)(F)c1ccc(C#CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674249350 540736142 /nfs/dbraw/zinc/73/61/42/540736142.db2.gz PVXSZBXRWOZOPH-OKILXGFUSA-N 2 2 294.320 2.208 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000181396469 189295253 /nfs/dbraw/zinc/29/52/53/189295253.db2.gz PMBUGSRYPNQRRS-SFHVURJKSA-N 2 2 299.418 2.291 20 30 CEEDLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1C#N ZINC000087833180 363871967 /nfs/dbraw/zinc/87/19/67/363871967.db2.gz NUAYSSIMXJVHAB-UHFFFAOYSA-N 2 2 273.380 2.093 20 30 CEEDLP C=C(C)[C@@H](CO)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679952888 541344226 /nfs/dbraw/zinc/34/42/26/541344226.db2.gz NTKZGWYJAABRKD-MRXNPFEDSA-N 2 2 277.412 2.312 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000582062862 366857043 /nfs/dbraw/zinc/85/70/43/366857043.db2.gz DXQFMRQRMZTGRA-OAHLLOKOSA-N 2 2 289.423 2.144 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000582062862 366857048 /nfs/dbraw/zinc/85/70/48/366857048.db2.gz DXQFMRQRMZTGRA-OAHLLOKOSA-N 2 2 289.423 2.144 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000174280620 368006000 /nfs/dbraw/zinc/00/60/00/368006000.db2.gz WODSQNBIWLOQLP-UHFFFAOYSA-N 2 2 296.374 2.300 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639327758 371234937 /nfs/dbraw/zinc/23/49/37/371234937.db2.gz SFPMPITWIWPJFH-NUJGCVRESA-N 2 2 286.419 2.491 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639327758 371234942 /nfs/dbraw/zinc/23/49/42/371234942.db2.gz SFPMPITWIWPJFH-NUJGCVRESA-N 2 2 286.419 2.491 20 30 CEEDLP CCc1cccc(NC(=[NH2+])NCCCn2cc[nH+]c2)c1 ZINC000264063640 371959403 /nfs/dbraw/zinc/95/94/03/371959403.db2.gz DOIBRLQZWPWKMP-UHFFFAOYSA-N 2 2 271.368 2.262 20 30 CEEDLP CCNC(NCc1ccc(-n2cc[nH+]c2)c(F)c1)=[NH+]CC ZINC000264075662 371962447 /nfs/dbraw/zinc/96/24/47/371962447.db2.gz FRIPEZIVMAXQLE-UHFFFAOYSA-N 2 2 289.358 2.086 20 30 CEEDLP CCCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000264073106 371963702 /nfs/dbraw/zinc/96/37/02/371963702.db2.gz DUSOTGMHCUALAW-CYBMUJFWSA-N 2 2 282.457 2.445 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000264133697 371975651 /nfs/dbraw/zinc/97/56/51/371975651.db2.gz YZJURQZFGHPZCS-ZDUSSCGKSA-N 2 2 278.400 2.143 20 30 CEEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)Cn1cc[nH+]c1 ZINC000269410043 372443405 /nfs/dbraw/zinc/44/34/05/372443405.db2.gz JATYBLZXJMRMHP-GFCCVEGCSA-N 2 2 272.327 2.320 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000270413266 372777635 /nfs/dbraw/zinc/77/76/35/372777635.db2.gz CNHLFIRAWPGWHC-CQSZACIVSA-N 2 2 274.408 2.480 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)o1 ZINC000369673152 373485294 /nfs/dbraw/zinc/48/52/94/373485294.db2.gz WNCRPXFZGCSCBL-UHFFFAOYSA-N 2 2 279.303 2.022 20 30 CEEDLP C=CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012834 374639505 /nfs/dbraw/zinc/63/95/05/374639505.db2.gz NBFWIVVMDKETJR-UHFFFAOYSA-N 2 2 259.397 2.206 20 30 CEEDLP C=CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012834 374639517 /nfs/dbraw/zinc/63/95/17/374639517.db2.gz NBFWIVVMDKETJR-UHFFFAOYSA-N 2 2 259.397 2.206 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684377252 541987689 /nfs/dbraw/zinc/98/76/89/541987689.db2.gz SQJBJJFNDCJKKP-CABCVRRESA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108397 375796439 /nfs/dbraw/zinc/79/64/39/375796439.db2.gz GFWQDUUSNSAERL-CYBMUJFWSA-N 2 2 274.412 2.130 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(CC)nc2)CC1 ZINC000414344618 375832208 /nfs/dbraw/zinc/83/22/08/375832208.db2.gz ZMGNRTRQFNWYOO-UHFFFAOYSA-N 2 2 274.412 2.169 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328956736 376927779 /nfs/dbraw/zinc/92/77/79/376927779.db2.gz PEGYLPXOBJLUNG-HZSPNIEDSA-N 2 2 290.411 2.275 20 30 CEEDLP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423023381 376939027 /nfs/dbraw/zinc/93/90/27/376939027.db2.gz HGFZTFVDDCCDDL-DOMZBBRYSA-N 2 2 255.365 2.277 20 30 CEEDLP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423023384 376939105 /nfs/dbraw/zinc/93/91/05/376939105.db2.gz HGFZTFVDDCCDDL-WFASDCNBSA-N 2 2 255.365 2.277 20 30 CEEDLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000329671552 376987527 /nfs/dbraw/zinc/98/75/27/376987527.db2.gz SDGQRQRATKGKCJ-CHWSQXEVSA-N 2 2 290.411 2.488 20 30 CEEDLP C[C@H]([NH2+]CCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000566110429 377728054 /nfs/dbraw/zinc/72/80/54/377728054.db2.gz INTYREJGFOKNLC-ZDUSSCGKSA-N 2 2 290.386 2.142 20 30 CEEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294979733 378032671 /nfs/dbraw/zinc/03/26/71/378032671.db2.gz KMQYHAGCOOPPCG-INIZCTEOSA-N 2 2 282.391 2.044 20 30 CEEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294979733 378032673 /nfs/dbraw/zinc/03/26/73/378032673.db2.gz KMQYHAGCOOPPCG-INIZCTEOSA-N 2 2 282.391 2.044 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295113463 378043703 /nfs/dbraw/zinc/04/37/03/378043703.db2.gz XQAKKCMZWGDWRZ-MAUKXSAKSA-N 2 2 288.435 2.350 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295113463 378043708 /nfs/dbraw/zinc/04/37/08/378043708.db2.gz XQAKKCMZWGDWRZ-MAUKXSAKSA-N 2 2 288.435 2.350 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268111982 190377866 /nfs/dbraw/zinc/37/78/66/190377866.db2.gz IUESYVXAVDHMTH-WMLDXEAASA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268111982 190377867 /nfs/dbraw/zinc/37/78/67/190377867.db2.gz IUESYVXAVDHMTH-WMLDXEAASA-N 2 2 284.403 2.271 20 30 CEEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC#N)cc1F ZINC000574785177 335047180 /nfs/dbraw/zinc/04/71/80/335047180.db2.gz XWADUCFCWVUTFP-UHFFFAOYSA-N 2 2 258.300 2.323 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328629408 394554186 /nfs/dbraw/zinc/55/41/86/394554186.db2.gz IDNRFNBJAJZDEK-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328629408 394554187 /nfs/dbraw/zinc/55/41/87/394554187.db2.gz IDNRFNBJAJZDEK-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000328629408 394554189 /nfs/dbraw/zinc/55/41/89/394554189.db2.gz IDNRFNBJAJZDEK-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000328629408 394554191 /nfs/dbraw/zinc/55/41/91/394554191.db2.gz IDNRFNBJAJZDEK-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556251 /nfs/dbraw/zinc/55/62/51/394556251.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 2 2 290.411 2.485 20 30 CEEDLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556256 /nfs/dbraw/zinc/55/62/56/394556256.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 2 2 290.411 2.485 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)c1ccsc1 ZINC000262648848 394622113 /nfs/dbraw/zinc/62/21/13/394622113.db2.gz JXYVYEUFCNYHGF-AAEUAGOBSA-N 2 2 280.441 2.068 20 30 CEEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCSCC2)c1 ZINC000267469460 394680217 /nfs/dbraw/zinc/68/02/17/394680217.db2.gz XJFFHCSKUJWSPE-UHFFFAOYSA-N 2 2 292.452 2.079 20 30 CEEDLP C[C@H]1CN(c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374254953 395078038 /nfs/dbraw/zinc/07/80/38/395078038.db2.gz HPHQIWOPPXPJQI-HNNXBMFYSA-N 2 2 298.434 2.163 20 30 CEEDLP C[C@H]1CN(c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374254953 395078040 /nfs/dbraw/zinc/07/80/40/395078040.db2.gz HPHQIWOPPXPJQI-HNNXBMFYSA-N 2 2 298.434 2.163 20 30 CEEDLP C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343841064 395045743 /nfs/dbraw/zinc/04/57/43/395045743.db2.gz PWUZOVKETAVRFU-QGZVFWFLSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343841064 395045748 /nfs/dbraw/zinc/04/57/48/395045748.db2.gz PWUZOVKETAVRFU-QGZVFWFLSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])c1 ZINC000346852998 395111229 /nfs/dbraw/zinc/11/12/29/395111229.db2.gz XOJRVKYXCRYXTD-HOTGVXAUSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])c1 ZINC000346852998 395111232 /nfs/dbraw/zinc/11/12/32/395111232.db2.gz XOJRVKYXCRYXTD-HOTGVXAUSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)co2)CC1 ZINC000354333699 395326962 /nfs/dbraw/zinc/32/69/62/395326962.db2.gz ZXXORVLIGKSIDC-UHFFFAOYSA-N 2 2 292.379 2.196 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC000192056044 395372037 /nfs/dbraw/zinc/37/20/37/395372037.db2.gz VXUXVENYBWKQRD-WBVHZDCISA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC000192056044 395372043 /nfs/dbraw/zinc/37/20/43/395372043.db2.gz VXUXVENYBWKQRD-WBVHZDCISA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056044 395372048 /nfs/dbraw/zinc/37/20/48/395372048.db2.gz VXUXVENYBWKQRD-WBVHZDCISA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056044 395372053 /nfs/dbraw/zinc/37/20/53/395372053.db2.gz VXUXVENYBWKQRD-WBVHZDCISA-N 2 2 256.393 2.453 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(OC)c1O ZINC000113328479 400276024 /nfs/dbraw/zinc/27/60/24/400276024.db2.gz HWMAIEZSKRGXLO-OAHLLOKOSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(OC)c1O ZINC000113328479 400276030 /nfs/dbraw/zinc/27/60/30/400276030.db2.gz HWMAIEZSKRGXLO-OAHLLOKOSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665230411 415631600 /nfs/dbraw/zinc/63/16/00/415631600.db2.gz OGFSNUKSEGJRDR-FZKCQIBNSA-N 2 2 266.429 2.478 20 30 CEEDLP C=CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656702512 415825255 /nfs/dbraw/zinc/82/52/55/415825255.db2.gz FEVNOJUJKBSNJS-AWEZNQCLSA-N 2 2 273.380 2.180 20 30 CEEDLP CCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000263660185 262851116 /nfs/dbraw/zinc/85/11/16/262851116.db2.gz DMXQUMUQDKMCJJ-UHFFFAOYSA-N 2 2 261.369 2.329 20 30 CEEDLP CC(C)CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000264110677 262873582 /nfs/dbraw/zinc/87/35/82/262873582.db2.gz OXXOYIBCBBTHPD-OAHLLOKOSA-N 2 2 276.428 2.240 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415031773 263256856 /nfs/dbraw/zinc/25/68/56/263256856.db2.gz FKAMKFFJFYPLOA-MRXNPFEDSA-N 2 2 290.407 2.490 20 30 CEEDLP Cc1cc(NCC[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399493317 267299612 /nfs/dbraw/zinc/29/96/12/267299612.db2.gz HKQFBSXEABVSCK-UHFFFAOYSA-N 2 2 280.375 2.228 20 30 CEEDLP Cc1cc(NCC[N@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399493317 267299613 /nfs/dbraw/zinc/29/96/13/267299613.db2.gz HKQFBSXEABVSCK-UHFFFAOYSA-N 2 2 280.375 2.228 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000418143047 267365285 /nfs/dbraw/zinc/36/52/85/267365285.db2.gz OJMFTTMQERFFQG-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080637 /nfs/dbraw/zinc/08/06/37/314080637.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080641 /nfs/dbraw/zinc/08/06/41/314080641.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080643 /nfs/dbraw/zinc/08/06/43/314080643.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266195 314080646 /nfs/dbraw/zinc/08/06/46/314080646.db2.gz GGIMRXUEIHQYPY-WMLDXEAASA-N 2 2 289.423 2.254 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000570565082 327599938 /nfs/dbraw/zinc/59/99/38/327599938.db2.gz XMHUOBVMPCIWAP-NFOMZHRRSA-N 2 2 260.385 2.036 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000184087184 329255971 /nfs/dbraw/zinc/25/59/71/329255971.db2.gz LAVJGIUJOFYFAF-HNNXBMFYSA-N 2 2 272.396 2.328 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090223829 330391435 /nfs/dbraw/zinc/39/14/35/330391435.db2.gz ZQJABOMZNRIYGY-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090223829 330391436 /nfs/dbraw/zinc/39/14/36/330391436.db2.gz ZQJABOMZNRIYGY-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489499647 332056988 /nfs/dbraw/zinc/05/69/88/332056988.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 2 278.440 2.428 20 30 CEEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1C=C ZINC000489499647 332056989 /nfs/dbraw/zinc/05/69/89/332056989.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 2 278.440 2.428 20 30 CEEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C=C ZINC000489499647 332056990 /nfs/dbraw/zinc/05/69/90/332056990.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 2 278.440 2.428 20 30 CEEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C=C ZINC000489499647 332056991 /nfs/dbraw/zinc/05/69/91/332056991.db2.gz SQRPKTNJZIZFIY-BJWYYQGGSA-N 2 2 278.440 2.428 20 30 CEEDLP CC(C)(C[NH2+]C[C@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000516965061 333088390 /nfs/dbraw/zinc/08/83/90/333088390.db2.gz IBHDLJITHFEDHW-AWEZNQCLSA-N 2 2 262.401 2.284 20 30 CEEDLP N#C[C@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000577986852 335448970 /nfs/dbraw/zinc/44/89/70/335448970.db2.gz QYJATYSKPLOTOK-GXTWGEPZSA-N 2 2 267.336 2.431 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000329218192 534549382 /nfs/dbraw/zinc/54/93/82/534549382.db2.gz RMXLBOFCAJPNLA-CYBMUJFWSA-N 2 2 256.353 2.119 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000329218192 534549388 /nfs/dbraw/zinc/54/93/88/534549388.db2.gz RMXLBOFCAJPNLA-CYBMUJFWSA-N 2 2 256.353 2.119 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000363384513 526707826 /nfs/dbraw/zinc/70/78/26/526707826.db2.gz LMYPMBUGRAPVSW-ZWKOTPCHSA-N 2 2 299.418 2.149 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000969408497 613349035 /nfs/dbraw/zinc/34/90/35/613349035.db2.gz NYRSLHXOBVALEL-OAHLLOKOSA-N 2 2 287.407 2.387 20 30 CEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974737343 613828590 /nfs/dbraw/zinc/82/85/90/613828590.db2.gz RHWMQONPIKYALO-HNNXBMFYSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000974737343 613828591 /nfs/dbraw/zinc/82/85/91/613828591.db2.gz RHWMQONPIKYALO-HNNXBMFYSA-N 2 2 298.390 2.189 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2ccccc2n1CC ZINC000327956031 627727155 /nfs/dbraw/zinc/72/71/55/627727155.db2.gz BFUAVYLBOZUJQD-UHFFFAOYSA-N 2 2 284.407 2.101 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2ccccc2n1CC ZINC000327956031 627727157 /nfs/dbraw/zinc/72/71/57/627727157.db2.gz BFUAVYLBOZUJQD-UHFFFAOYSA-N 2 2 284.407 2.101 20 30 CEEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000902445350 634662213 /nfs/dbraw/zinc/66/22/13/634662213.db2.gz LLUUBUHVHIKAQB-FRRDWIJNSA-N 2 2 276.409 2.025 20 30 CEEDLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902465614 634684295 /nfs/dbraw/zinc/68/42/95/634684295.db2.gz HMRNBJSRXXEZFI-FXUDXRNXSA-N 2 2 255.365 2.492 20 30 CEEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1ccccc1Cl ZINC000262080460 629754896 /nfs/dbraw/zinc/75/48/96/629754896.db2.gz TUYGVICAJRFWGI-UHFFFAOYSA-N 2 2 294.830 2.053 20 30 CEEDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902728942 634797886 /nfs/dbraw/zinc/79/78/86/634797886.db2.gz CPYVVBSMPBMMBQ-AWEZNQCLSA-N 2 2 272.396 2.480 20 30 CEEDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902728529 634797979 /nfs/dbraw/zinc/79/79/79/634797979.db2.gz VZINQEHBWHPJSJ-ZDUSSCGKSA-N 2 2 272.396 2.478 20 30 CEEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCN1c1cc[nH+]cc1 ZINC000895556592 630247365 /nfs/dbraw/zinc/24/73/65/630247365.db2.gz LIGZGNLIKGJIHI-AWEZNQCLSA-N 2 2 293.374 2.059 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCN1c1cc[nH+]cc1 ZINC000895556592 630247366 /nfs/dbraw/zinc/24/73/66/630247366.db2.gz LIGZGNLIKGJIHI-AWEZNQCLSA-N 2 2 293.374 2.059 20 30 CEEDLP C#C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809783035 632146158 /nfs/dbraw/zinc/14/61/58/632146158.db2.gz PPNRIAJCZZFDSP-LBPRGKRZSA-N 2 2 265.426 2.342 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000903380750 635093304 /nfs/dbraw/zinc/09/33/04/635093304.db2.gz OTIHBJBSJFRIKR-BPUTZDHNSA-N 2 2 272.396 2.356 20 30 CEEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000844227103 640637691 /nfs/dbraw/zinc/63/76/91/640637691.db2.gz VXAHULSOOAXKEH-GOSISDBHSA-N 2 2 294.402 2.414 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740321 650882432 /nfs/dbraw/zinc/88/24/32/650882432.db2.gz RCNARHGHLYCBNA-MAUKXSAKSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740321 650882437 /nfs/dbraw/zinc/88/24/37/650882437.db2.gz RCNARHGHLYCBNA-MAUKXSAKSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740321 650882442 /nfs/dbraw/zinc/88/24/42/650882442.db2.gz RCNARHGHLYCBNA-MAUKXSAKSA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740321 650882449 /nfs/dbraw/zinc/88/24/49/650882449.db2.gz RCNARHGHLYCBNA-MAUKXSAKSA-N 2 2 298.434 2.150 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000854228289 644017353 /nfs/dbraw/zinc/01/73/53/644017353.db2.gz UKQNZQFRXCNFDK-TUBUQKNSSA-N 2 2 270.376 2.101 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000854228288 644018046 /nfs/dbraw/zinc/01/80/46/644018046.db2.gz UKQNZQFRXCNFDK-CBCUQQMYSA-N 2 2 270.376 2.101 20 30 CEEDLP C#CC[C@H](CCOC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000858331624 645120802 /nfs/dbraw/zinc/12/08/02/645120802.db2.gz GFCCPCRHKWRKKO-MRXNPFEDSA-N 2 2 283.375 2.390 20 30 CEEDLP CC[C@H](C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000764562884 645657688 /nfs/dbraw/zinc/65/76/88/645657688.db2.gz GPXFVSJMQRTCOR-LBPRGKRZSA-N 2 2 263.385 2.431 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000863544687 646752752 /nfs/dbraw/zinc/75/27/52/646752752.db2.gz BIMFEJSSUAQOOY-YCPHGPKFSA-N 2 2 272.392 2.490 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775574784 646968145 /nfs/dbraw/zinc/96/81/45/646968145.db2.gz RSNMTYIOFACGMH-MOPGFXCFSA-N 2 2 298.430 2.421 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C#N ZINC000872148977 649297657 /nfs/dbraw/zinc/29/76/57/649297657.db2.gz JNDGRSFPWNJWMH-KGLIPLIRSA-N 2 2 297.324 2.436 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C#N ZINC000872148977 649297659 /nfs/dbraw/zinc/29/76/59/649297659.db2.gz JNDGRSFPWNJWMH-KGLIPLIRSA-N 2 2 297.324 2.436 20 30 CEEDLP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266593641 802751028 /nfs/dbraw/zinc/75/10/28/802751028.db2.gz QRIBTJYUDMLOCH-SHTZXODSSA-N 2 2 298.390 2.069 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038251479 803272502 /nfs/dbraw/zinc/27/25/02/803272502.db2.gz HGQPGTARGVCUFY-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038251479 803272508 /nfs/dbraw/zinc/27/25/08/803272508.db2.gz HGQPGTARGVCUFY-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490895 804088610 /nfs/dbraw/zinc/08/86/10/804088610.db2.gz CNQAGJOQFZGKTD-CQSZACIVSA-N 2 2 298.390 2.057 20 30 CEEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490895 804088620 /nfs/dbraw/zinc/08/86/20/804088620.db2.gz CNQAGJOQFZGKTD-CQSZACIVSA-N 2 2 298.390 2.057 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000701826185 809465966 /nfs/dbraw/zinc/46/59/66/809465966.db2.gz IJVWNJZLOJVWIN-CJNGLKHVSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000701826185 809465970 /nfs/dbraw/zinc/46/59/70/809465970.db2.gz IJVWNJZLOJVWIN-CJNGLKHVSA-N 2 2 257.381 2.439 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000701902819 809473876 /nfs/dbraw/zinc/47/38/76/809473876.db2.gz JTZQYPPGVAKBRX-GFCCVEGCSA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000701902819 809473880 /nfs/dbraw/zinc/47/38/80/809473880.db2.gz JTZQYPPGVAKBRX-GFCCVEGCSA-N 2 2 251.399 2.057 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118885 815307206 /nfs/dbraw/zinc/30/72/06/815307206.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118885 815307213 /nfs/dbraw/zinc/30/72/13/815307213.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118885 815307219 /nfs/dbraw/zinc/30/72/19/815307219.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118885 815307225 /nfs/dbraw/zinc/30/72/25/815307225.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118885 815307231 /nfs/dbraw/zinc/30/72/31/815307231.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118885 815307237 /nfs/dbraw/zinc/30/72/37/815307237.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118885 815307243 /nfs/dbraw/zinc/30/72/43/815307243.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118885 815307245 /nfs/dbraw/zinc/30/72/45/815307245.db2.gz RCNPMPFJIGOJCP-XGUBFFRZSA-N 2 2 292.448 2.276 20 30 CEEDLP N#Cc1cc(Cl)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155065211 810954292 /nfs/dbraw/zinc/95/42/92/810954292.db2.gz ZZSQVBNSRSWZCL-UHFFFAOYSA-N 2 2 287.754 2.259 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000392839861 813308455 /nfs/dbraw/zinc/30/84/55/813308455.db2.gz NSWAEMIZTXXRDB-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000392839861 813308448 /nfs/dbraw/zinc/30/84/48/813308448.db2.gz NSWAEMIZTXXRDB-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086763336 813518492 /nfs/dbraw/zinc/51/84/92/813518492.db2.gz FYESJRJJXLWGHB-JKSUJKDBSA-N 2 2 299.418 2.128 20 30 CEEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001245981277 813658931 /nfs/dbraw/zinc/65/89/31/813658931.db2.gz ABFVQURJXREKLQ-CABCVRRESA-N 2 2 268.445 2.440 20 30 CEEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C[C@@H]3F)C[C@H](C1)C2 ZINC001246084510 813677146 /nfs/dbraw/zinc/67/71/46/813677146.db2.gz FPEPCOWVYYPYKK-FIBILERRSA-N 2 2 252.377 2.411 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cccc1C ZINC001171068512 813797807 /nfs/dbraw/zinc/79/78/07/813797807.db2.gz NDUVFIVODOJZTQ-ZDUSSCGKSA-N 2 2 277.368 2.029 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]c(C)c(C)c1 ZINC001171069965 813799218 /nfs/dbraw/zinc/79/92/18/813799218.db2.gz SVAJRTLCGFMPRO-HNNXBMFYSA-N 2 2 291.395 2.337 20 30 CEEDLP C=CCOC1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC001173311526 815663673 /nfs/dbraw/zinc/66/36/73/815663673.db2.gz LQKMFIIEZRTLIS-SHARSMKWSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC001173311526 815663678 /nfs/dbraw/zinc/66/36/78/815663678.db2.gz LQKMFIIEZRTLIS-SHARSMKWSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175629455 816246219 /nfs/dbraw/zinc/24/62/19/816246219.db2.gz JXLSEQFOSHUFDB-UONOGXRCSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175629455 816246222 /nfs/dbraw/zinc/24/62/22/816246222.db2.gz JXLSEQFOSHUFDB-UONOGXRCSA-N 2 2 292.427 2.039 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000121135796 365525739 /nfs/dbraw/zinc/52/57/39/365525739.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000121135796 365525750 /nfs/dbraw/zinc/52/57/50/365525750.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121135796 365525751 /nfs/dbraw/zinc/52/57/51/365525751.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121135796 365525761 /nfs/dbraw/zinc/52/57/61/365525761.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000037904716 361962191 /nfs/dbraw/zinc/96/21/91/361962191.db2.gz PVQQHRLORFEJAD-ZDUSSCGKSA-N 2 2 273.355 2.271 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000037904716 361962197 /nfs/dbraw/zinc/96/21/97/361962197.db2.gz PVQQHRLORFEJAD-ZDUSSCGKSA-N 2 2 273.355 2.271 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072202 344176921 /nfs/dbraw/zinc/17/69/21/344176921.db2.gz RDGBEZPQWFZDTP-LLVKDONJSA-N 2 2 256.309 2.254 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072202 344176924 /nfs/dbraw/zinc/17/69/24/344176924.db2.gz RDGBEZPQWFZDTP-LLVKDONJSA-N 2 2 256.309 2.254 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CNCc1[nH]cc[nH+]1)C(C)C ZINC000150950965 344418954 /nfs/dbraw/zinc/41/89/54/344418954.db2.gz GQRSKTNJACTNOL-CQSZACIVSA-N 2 2 262.401 2.198 20 30 CEEDLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602545447 347071950 /nfs/dbraw/zinc/07/19/50/347071950.db2.gz OBAXPDQYFZVTRB-OAHLLOKOSA-N 2 2 274.412 2.409 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000602567824 347081908 /nfs/dbraw/zinc/08/19/08/347081908.db2.gz GVPZZMVSZAVREN-FMKPAKJESA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000602567824 347081911 /nfs/dbraw/zinc/08/19/11/347081911.db2.gz GVPZZMVSZAVREN-FMKPAKJESA-N 2 2 291.439 2.158 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602575670 347084888 /nfs/dbraw/zinc/08/48/88/347084888.db2.gz VOAAZRQBHBGDAX-HNNXBMFYSA-N 2 2 286.423 2.411 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602575670 347084892 /nfs/dbraw/zinc/08/48/92/347084892.db2.gz VOAAZRQBHBGDAX-HNNXBMFYSA-N 2 2 286.423 2.411 20 30 CEEDLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C#N)c1 ZINC000591257541 345234836 /nfs/dbraw/zinc/23/48/36/345234836.db2.gz KESIZGWTKMDCDU-GFCCVEGCSA-N 2 2 283.379 2.209 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000592084924 345320571 /nfs/dbraw/zinc/32/05/71/345320571.db2.gz WRTLZEQFAPPPQN-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000592084924 345320572 /nfs/dbraw/zinc/32/05/72/345320572.db2.gz WRTLZEQFAPPPQN-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000592084924 345320574 /nfs/dbraw/zinc/32/05/74/345320574.db2.gz WRTLZEQFAPPPQN-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000592084924 345320576 /nfs/dbraw/zinc/32/05/76/345320576.db2.gz WRTLZEQFAPPPQN-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593021865 345424237 /nfs/dbraw/zinc/42/42/37/345424237.db2.gz YZYVEKIJGVNHEL-OAHLLOKOSA-N 2 2 255.365 2.231 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593021865 345424239 /nfs/dbraw/zinc/42/42/39/345424239.db2.gz YZYVEKIJGVNHEL-OAHLLOKOSA-N 2 2 255.365 2.231 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000593692773 345522037 /nfs/dbraw/zinc/52/20/37/345522037.db2.gz JZVPBDOSHKFMBS-UHFFFAOYSA-N 2 2 299.418 2.291 20 30 CEEDLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000595505766 345798536 /nfs/dbraw/zinc/79/85/36/345798536.db2.gz YAPIVSWRNQIDFG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000595505766 345798538 /nfs/dbraw/zinc/79/85/38/345798538.db2.gz YAPIVSWRNQIDFG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000595505766 345798539 /nfs/dbraw/zinc/79/85/39/345798539.db2.gz YAPIVSWRNQIDFG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000595505766 345798541 /nfs/dbraw/zinc/79/85/41/345798541.db2.gz YAPIVSWRNQIDFG-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP C[N@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598700208 346403161 /nfs/dbraw/zinc/40/31/61/346403161.db2.gz LYHOGXBUJYOCRS-MRXNPFEDSA-N 2 2 289.423 2.009 20 30 CEEDLP C[N@@H+](CC[NH2+]C[C@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598700208 346403163 /nfs/dbraw/zinc/40/31/63/346403163.db2.gz LYHOGXBUJYOCRS-MRXNPFEDSA-N 2 2 289.423 2.009 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000600710197 346674935 /nfs/dbraw/zinc/67/49/35/346674935.db2.gz MOURKRZASKOPFX-ARFHVFGLSA-N 2 2 255.365 2.276 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)o1 ZINC000600776728 346688516 /nfs/dbraw/zinc/68/85/16/346688516.db2.gz RHEYGSGMSQBCPJ-CABZTGNLSA-N 2 2 287.285 2.110 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)o1 ZINC000600776728 346688517 /nfs/dbraw/zinc/68/85/17/346688517.db2.gz RHEYGSGMSQBCPJ-CABZTGNLSA-N 2 2 287.285 2.110 20 30 CEEDLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)[nH+]1 ZINC000602852092 347224906 /nfs/dbraw/zinc/22/49/06/347224906.db2.gz ZWLPWPMETRVOFX-GASCZTMLSA-N 2 2 286.423 2.425 20 30 CEEDLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)[nH+]1 ZINC000602852092 347224910 /nfs/dbraw/zinc/22/49/10/347224910.db2.gz ZWLPWPMETRVOFX-GASCZTMLSA-N 2 2 286.423 2.425 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807252 349044595 /nfs/dbraw/zinc/04/45/95/349044595.db2.gz TYMNAWOVPTUZCW-XFBWCDHKSA-N 2 2 255.365 2.085 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807252 349044597 /nfs/dbraw/zinc/04/45/97/349044597.db2.gz TYMNAWOVPTUZCW-XFBWCDHKSA-N 2 2 255.365 2.085 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271318691 191071750 /nfs/dbraw/zinc/07/17/50/191071750.db2.gz STCSVJRYVNDXCI-ILXRZTDVSA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271318691 191071752 /nfs/dbraw/zinc/07/17/52/191071752.db2.gz STCSVJRYVNDXCI-ILXRZTDVSA-N 2 2 263.385 2.093 20 30 CEEDLP C=C(C)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631131377 351979998 /nfs/dbraw/zinc/97/99/98/351979998.db2.gz LNNATALCXVCWGB-UHFFFAOYSA-N 2 2 290.407 2.063 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072858085 363171418 /nfs/dbraw/zinc/17/14/18/363171418.db2.gz DTYKIDDOYJOVRJ-INIZCTEOSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072858085 363171419 /nfs/dbraw/zinc/17/14/19/363171419.db2.gz DTYKIDDOYJOVRJ-INIZCTEOSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072858085 363171420 /nfs/dbraw/zinc/17/14/20/363171420.db2.gz DTYKIDDOYJOVRJ-INIZCTEOSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072858085 363171421 /nfs/dbraw/zinc/17/14/21/363171421.db2.gz DTYKIDDOYJOVRJ-INIZCTEOSA-N 2 2 257.381 2.332 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155676057 188220345 /nfs/dbraw/zinc/22/03/45/188220345.db2.gz LCWQJMNZMSTBPP-CQSZACIVSA-N 2 2 269.348 2.246 20 30 CEEDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193047 299244427 /nfs/dbraw/zinc/24/44/27/299244427.db2.gz RGPXWNRPMHOOKD-SUMWQHHRSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193047 299244429 /nfs/dbraw/zinc/24/44/29/299244429.db2.gz RGPXWNRPMHOOKD-SUMWQHHRSA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H](CC[NH2+]C[C@@H](C#N)CCC#N)[NH+]1CCCCC1 ZINC000577948735 366419714 /nfs/dbraw/zinc/41/97/14/366419714.db2.gz XLCOEHUUNGONLD-LSDHHAIUSA-N 2 2 262.401 2.284 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000578518624 366505924 /nfs/dbraw/zinc/50/59/24/366505924.db2.gz BDSXSIOPXGODCV-CQSZACIVSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000578518624 366505929 /nfs/dbraw/zinc/50/59/29/366505929.db2.gz BDSXSIOPXGODCV-CQSZACIVSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CNCc1c[nH+]cn1C)C(C)C ZINC000150951065 366607090 /nfs/dbraw/zinc/60/70/90/366607090.db2.gz QMRWUNOUCWMWDQ-MRXNPFEDSA-N 2 2 276.428 2.208 20 30 CEEDLP CCC#C[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679373605 541266887 /nfs/dbraw/zinc/26/68/87/541266887.db2.gz AGADURZREZNRKV-HRBLRVMOSA-N 2 2 289.467 2.031 20 30 CEEDLP CCC#C[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679373605 541266890 /nfs/dbraw/zinc/26/68/90/541266890.db2.gz AGADURZREZNRKV-HRBLRVMOSA-N 2 2 289.467 2.031 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000113328591 364889038 /nfs/dbraw/zinc/88/90/38/364889038.db2.gz IUVHZJRZEPMJGZ-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000113328591 364889042 /nfs/dbraw/zinc/88/90/42/364889042.db2.gz IUVHZJRZEPMJGZ-MRXNPFEDSA-N 2 2 272.392 2.273 20 30 CEEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000275431189 193033800 /nfs/dbraw/zinc/03/38/00/193033800.db2.gz FIGFIPKYZPDORD-DOTOQJQBSA-N 2 2 296.374 2.302 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000582578131 366928050 /nfs/dbraw/zinc/92/80/50/366928050.db2.gz PSVPDZFLYVHQNS-AAEUAGOBSA-N 2 2 287.392 2.294 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000582578131 366928057 /nfs/dbraw/zinc/92/80/57/366928057.db2.gz PSVPDZFLYVHQNS-AAEUAGOBSA-N 2 2 287.392 2.294 20 30 CEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000161528120 367093736 /nfs/dbraw/zinc/09/37/36/367093736.db2.gz UQYDKSUYSYKACE-KRWDZBQOSA-N 2 2 298.434 2.165 20 30 CEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000161528120 367093740 /nfs/dbraw/zinc/09/37/40/367093740.db2.gz UQYDKSUYSYKACE-KRWDZBQOSA-N 2 2 298.434 2.165 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000245754978 370869446 /nfs/dbraw/zinc/86/94/46/370869446.db2.gz ZHFNAUSNGNGQNT-KFWWJZLASA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000245754978 370869456 /nfs/dbraw/zinc/86/94/56/370869456.db2.gz ZHFNAUSNGNGQNT-KFWWJZLASA-N 2 2 271.368 2.210 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000345106362 368156361 /nfs/dbraw/zinc/15/63/61/368156361.db2.gz WVBPIEAZCKSOEN-CQSZACIVSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000345106362 368156365 /nfs/dbraw/zinc/15/63/65/368156365.db2.gz WVBPIEAZCKSOEN-CQSZACIVSA-N 2 2 287.407 2.008 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177681456 368278474 /nfs/dbraw/zinc/27/84/74/368278474.db2.gz BCBRNKCJAHGZQX-AWEZNQCLSA-N 2 2 293.436 2.066 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177681456 368278478 /nfs/dbraw/zinc/27/84/78/368278478.db2.gz BCBRNKCJAHGZQX-AWEZNQCLSA-N 2 2 293.436 2.066 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335498458 212178321 /nfs/dbraw/zinc/17/83/21/212178321.db2.gz NJHSJPHPMXXIEF-SMDDNHRTSA-N 2 2 261.344 2.490 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348048236 368873786 /nfs/dbraw/zinc/87/37/86/368873786.db2.gz KTLPYSGNXHYRAG-CABCVRRESA-N 2 2 263.385 2.359 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348048236 368873789 /nfs/dbraw/zinc/87/37/89/368873789.db2.gz KTLPYSGNXHYRAG-CABCVRRESA-N 2 2 263.385 2.359 20 30 CEEDLP Cn1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000190852208 369656986 /nfs/dbraw/zinc/65/69/86/369656986.db2.gz WARWWIDLKYJPRD-UHFFFAOYSA-N 2 2 282.391 2.118 20 30 CEEDLP Cn1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000190852208 369656990 /nfs/dbraw/zinc/65/69/90/369656990.db2.gz WARWWIDLKYJPRD-UHFFFAOYSA-N 2 2 282.391 2.118 20 30 CEEDLP C[C@@H](CC[NH2+]Cc1nc(C#N)cs1)[NH+]1CCCCC1 ZINC000352860392 369918688 /nfs/dbraw/zinc/91/86/88/369918688.db2.gz BAARZSHVDWANOP-LBPRGKRZSA-N 2 2 278.425 2.369 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194031977 370001615 /nfs/dbraw/zinc/00/16/15/370001615.db2.gz GDLYSFJUUUVQEE-OWCLPIDISA-N 2 2 276.424 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000236660113 370603800 /nfs/dbraw/zinc/60/38/00/370603800.db2.gz OOUVZJZIFMHGKL-UHFFFAOYSA-N 2 2 255.365 2.298 20 30 CEEDLP CCCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000264073504 371963061 /nfs/dbraw/zinc/96/30/61/371963061.db2.gz DUSOTGMHCUALAW-ZDUSSCGKSA-N 2 2 282.457 2.445 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264084618 371967284 /nfs/dbraw/zinc/96/72/84/371967284.db2.gz IQNONLULKFWCNW-NSHDSACASA-N 2 2 273.384 2.198 20 30 CEEDLP CCCCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264140189 371977051 /nfs/dbraw/zinc/97/70/51/371977051.db2.gz WIHMDOIFAMLMEL-UHFFFAOYSA-N 2 2 285.395 2.136 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264136771 371977449 /nfs/dbraw/zinc/97/74/49/371977449.db2.gz ZXXGEIUPYZEIEH-LLVKDONJSA-N 2 2 289.358 2.214 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000641769417 372712554 /nfs/dbraw/zinc/71/25/54/372712554.db2.gz VKVPDXNRLMYTAS-BPQIPLTHSA-N 2 2 286.419 2.186 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000641769417 372712557 /nfs/dbraw/zinc/71/25/57/372712557.db2.gz VKVPDXNRLMYTAS-BPQIPLTHSA-N 2 2 286.419 2.186 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000371795364 373981189 /nfs/dbraw/zinc/98/11/89/373981189.db2.gz HDUZWNPMGXPKSX-JKSUJKDBSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1=CC[N@H+](C)CC1 ZINC000329301281 376940419 /nfs/dbraw/zinc/94/04/19/376940419.db2.gz MWCVZUUNMMUPQN-GXTWGEPZSA-N 2 2 288.395 2.052 20 30 CEEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1=CC[N@@H+](C)CC1 ZINC000329301281 376940428 /nfs/dbraw/zinc/94/04/28/376940428.db2.gz MWCVZUUNMMUPQN-GXTWGEPZSA-N 2 2 288.395 2.052 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292215937 377230188 /nfs/dbraw/zinc/23/01/88/377230188.db2.gz UONGEBVFNDGSTM-KRWDZBQOSA-N 2 2 254.377 2.066 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292215937 377230194 /nfs/dbraw/zinc/23/01/94/377230194.db2.gz UONGEBVFNDGSTM-KRWDZBQOSA-N 2 2 254.377 2.066 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000292215937 377230206 /nfs/dbraw/zinc/23/02/06/377230206.db2.gz UONGEBVFNDGSTM-KRWDZBQOSA-N 2 2 254.377 2.066 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000292215937 377230216 /nfs/dbraw/zinc/23/02/16/377230216.db2.gz UONGEBVFNDGSTM-KRWDZBQOSA-N 2 2 254.377 2.066 20 30 CEEDLP COCC[NH2+]CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423336576 377268130 /nfs/dbraw/zinc/26/81/30/377268130.db2.gz QMWPFUVIRMVEDO-KRWDZBQOSA-N 2 2 287.407 2.151 20 30 CEEDLP C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000424659491 377280841 /nfs/dbraw/zinc/28/08/41/377280841.db2.gz SAJREAKCMFSOAE-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000424659491 377280849 /nfs/dbraw/zinc/28/08/49/377280849.db2.gz SAJREAKCMFSOAE-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000264943804 190146516 /nfs/dbraw/zinc/14/65/16/190146516.db2.gz HRNGHNGCUAWBLH-HNNXBMFYSA-N 2 2 283.375 2.464 20 30 CEEDLP Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(C#N)c[nH+]1 ZINC000333617872 377804716 /nfs/dbraw/zinc/80/47/16/377804716.db2.gz SXWNUZGWLWGIKF-CQSZACIVSA-N 2 2 270.380 2.088 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000294937881 378030126 /nfs/dbraw/zinc/03/01/26/378030126.db2.gz HUJUTVAADNZUDG-CQSZACIVSA-N 2 2 287.407 2.251 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000294937881 378030131 /nfs/dbraw/zinc/03/01/31/378030131.db2.gz HUJUTVAADNZUDG-CQSZACIVSA-N 2 2 287.407 2.251 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295117234 378043406 /nfs/dbraw/zinc/04/34/06/378043406.db2.gz YAZCYPSJRWDFLE-ZDUSSCGKSA-N 2 2 275.352 2.201 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295117234 378043407 /nfs/dbraw/zinc/04/34/07/378043407.db2.gz YAZCYPSJRWDFLE-ZDUSSCGKSA-N 2 2 275.352 2.201 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000299189801 378928465 /nfs/dbraw/zinc/92/84/65/378928465.db2.gz CKCIRBBXOKKOPB-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000299189801 378928469 /nfs/dbraw/zinc/92/84/69/378928469.db2.gz CKCIRBBXOKKOPB-HOCLYGCPSA-N 2 2 257.381 2.400 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000519539033 379430822 /nfs/dbraw/zinc/43/08/22/379430822.db2.gz JKGOQXRNWNKCLR-KRWDZBQOSA-N 2 2 293.374 2.465 20 30 CEEDLP C#C[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165371 380285649 /nfs/dbraw/zinc/28/56/49/380285649.db2.gz KOJQYEJFASCGCX-WMZOPIPTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165371 380285655 /nfs/dbraw/zinc/28/56/55/380285655.db2.gz KOJQYEJFASCGCX-WMZOPIPTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000491165371 380285658 /nfs/dbraw/zinc/28/56/58/380285658.db2.gz KOJQYEJFASCGCX-WMZOPIPTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000491165371 380285664 /nfs/dbraw/zinc/28/56/64/380285664.db2.gz KOJQYEJFASCGCX-WMZOPIPTSA-N 2 2 286.419 2.231 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000335306144 208149755 /nfs/dbraw/zinc/14/97/55/208149755.db2.gz HIKOWAQBGQDCRS-GFCCVEGCSA-N 2 2 270.311 2.068 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(F)c1 ZINC000335306144 208149759 /nfs/dbraw/zinc/14/97/59/208149759.db2.gz HIKOWAQBGQDCRS-GFCCVEGCSA-N 2 2 270.311 2.068 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752923 220304259 /nfs/dbraw/zinc/30/42/59/220304259.db2.gz NHBIOULRXZIORB-OLZOCXBDSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752923 220304262 /nfs/dbraw/zinc/30/42/62/220304262.db2.gz NHBIOULRXZIORB-OLZOCXBDSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752923 220304265 /nfs/dbraw/zinc/30/42/65/220304265.db2.gz NHBIOULRXZIORB-OLZOCXBDSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C[C@H]1C ZINC000353752923 220304267 /nfs/dbraw/zinc/30/42/67/220304267.db2.gz NHBIOULRXZIORB-OLZOCXBDSA-N 2 2 261.369 2.456 20 30 CEEDLP N#CCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000268911816 394701927 /nfs/dbraw/zinc/70/19/27/394701927.db2.gz OFHXZCROBWCVIK-UHFFFAOYSA-N 2 2 258.369 2.334 20 30 CEEDLP CC[NH+](CC)[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000104178000 394718845 /nfs/dbraw/zinc/71/88/45/394718845.db2.gz CLOWFZIDANKXEI-CYBMUJFWSA-N 2 2 280.416 2.142 20 30 CEEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000361028123 394812500 /nfs/dbraw/zinc/81/25/00/394812500.db2.gz GVQCRYGYXKRZJW-NNXHMXCWSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000361028123 394812503 /nfs/dbraw/zinc/81/25/03/394812503.db2.gz GVQCRYGYXKRZJW-NNXHMXCWSA-N 2 2 291.439 2.300 20 30 CEEDLP CN(C)C(=[NH+]Cc1cccc(-c2[nH+]ccn2C)c1)N(C)C ZINC000362360307 394855474 /nfs/dbraw/zinc/85/54/74/394855474.db2.gz OHFRSPNAJHDNTM-UHFFFAOYSA-N 2 2 285.395 2.066 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134156 394944826 /nfs/dbraw/zinc/94/48/26/394944826.db2.gz HCTJFPMGBPHNEE-NFAWXSAZSA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134156 394944831 /nfs/dbraw/zinc/94/48/31/394944831.db2.gz HCTJFPMGBPHNEE-NFAWXSAZSA-N 2 2 257.337 2.227 20 30 CEEDLP C=C(Br)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000136304983 394970379 /nfs/dbraw/zinc/97/03/79/394970379.db2.gz PBUJAWJGKUIDKN-UHFFFAOYSA-N 2 2 272.190 2.422 20 30 CEEDLP C=C(Br)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136304983 394970381 /nfs/dbraw/zinc/97/03/81/394970381.db2.gz PBUJAWJGKUIDKN-UHFFFAOYSA-N 2 2 272.190 2.422 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000290293832 395098263 /nfs/dbraw/zinc/09/82/63/395098263.db2.gz HFOJRZHGVRLOFA-DYVFJYSZSA-N 2 2 254.377 2.240 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000290293832 395098269 /nfs/dbraw/zinc/09/82/69/395098269.db2.gz HFOJRZHGVRLOFA-DYVFJYSZSA-N 2 2 254.377 2.240 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC#N ZINC000346813584 395108035 /nfs/dbraw/zinc/10/80/35/395108035.db2.gz YJCPILHVNQYYJD-GOEBONIOSA-N 2 2 272.396 2.185 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC#N ZINC000346813584 395108041 /nfs/dbraw/zinc/10/80/41/395108041.db2.gz YJCPILHVNQYYJD-GOEBONIOSA-N 2 2 272.396 2.185 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000181981178 395229734 /nfs/dbraw/zinc/22/97/34/395229734.db2.gz AESPSOUVAMBMPJ-ROUUACIJSA-N 2 2 299.418 2.026 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000520833185 395252727 /nfs/dbraw/zinc/25/27/27/395252727.db2.gz NUSQLBQGIOUVMN-ZDUSSCGKSA-N 2 2 281.363 2.165 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413972 395519879 /nfs/dbraw/zinc/51/98/79/395519879.db2.gz KFDQZVAQLNPQLJ-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413972 395519881 /nfs/dbraw/zinc/51/98/81/395519881.db2.gz KFDQZVAQLNPQLJ-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000566413972 395519886 /nfs/dbraw/zinc/51/98/86/395519886.db2.gz KFDQZVAQLNPQLJ-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000566413972 395519889 /nfs/dbraw/zinc/51/98/89/395519889.db2.gz KFDQZVAQLNPQLJ-QAPCUYQASA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000648445449 395909928 /nfs/dbraw/zinc/90/99/28/395909928.db2.gz HWSCEFNWXPTRJE-LSDHHAIUSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)nn1 ZINC000657348465 414875792 /nfs/dbraw/zinc/87/57/92/414875792.db2.gz WXQDJACUMWJJBJ-OAHLLOKOSA-N 2 2 291.443 2.064 20 30 CEEDLP C=CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)nn1 ZINC000657348465 414875798 /nfs/dbraw/zinc/87/57/98/414875798.db2.gz WXQDJACUMWJJBJ-OAHLLOKOSA-N 2 2 291.443 2.064 20 30 CEEDLP N#Cc1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000356097158 228118959 /nfs/dbraw/zinc/11/89/59/228118959.db2.gz ZRIZHXBMDQZMCN-UHFFFAOYSA-N 2 2 290.436 2.323 20 30 CEEDLP N#CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002391 /nfs/dbraw/zinc/00/23/91/260002391.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002392 /nfs/dbraw/zinc/00/23/92/260002392.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002393 /nfs/dbraw/zinc/00/23/93/260002393.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002394 /nfs/dbraw/zinc/00/23/94/260002394.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 2 269.392 2.354 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]C)cc1Cl ZINC000414819433 263054600 /nfs/dbraw/zinc/05/46/00/263054600.db2.gz HLUBOFMPJPVDMM-UHFFFAOYSA-N 2 2 254.761 2.214 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414908911 263115150 /nfs/dbraw/zinc/11/51/50/263115150.db2.gz BODWACFQLHJWNF-XJKSGUPXSA-N 2 2 260.381 2.339 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000570790834 314058518 /nfs/dbraw/zinc/05/85/18/314058518.db2.gz YCPYLMVEUJHCRV-UKRRQHHQSA-N 2 2 278.359 2.416 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000570790834 314058520 /nfs/dbraw/zinc/05/85/20/314058520.db2.gz YCPYLMVEUJHCRV-UKRRQHHQSA-N 2 2 278.359 2.416 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000237081239 328005013 /nfs/dbraw/zinc/00/50/13/328005013.db2.gz IQYRALKVDOQKHH-QGZVFWFLSA-N 2 2 286.423 2.220 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000237081239 328005014 /nfs/dbraw/zinc/00/50/14/328005014.db2.gz IQYRALKVDOQKHH-QGZVFWFLSA-N 2 2 286.423 2.220 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000571445977 328121887 /nfs/dbraw/zinc/12/18/87/328121887.db2.gz FARCEJKNPYEWKJ-INIZCTEOSA-N 2 2 265.360 2.261 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000121275403 330399137 /nfs/dbraw/zinc/39/91/37/330399137.db2.gz BSQSYLIVNFAWPK-ZBFHGGJFSA-N 2 2 266.429 2.289 20 30 CEEDLP N#CC1(F)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000352451915 534566895 /nfs/dbraw/zinc/56/68/95/534566895.db2.gz ZFCWBXSUFLIJHY-UHFFFAOYSA-N 2 2 253.365 2.190 20 30 CEEDLP CCN(C)c1ccc(C(C)=[NH+]N2CC[NH+](C)CC2)cc1 ZINC000748073988 575178041 /nfs/dbraw/zinc/17/80/41/575178041.db2.gz BIZXAOXQXGGOGX-UHFFFAOYSA-N 2 2 274.412 2.114 20 30 CEEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237420 612973434 /nfs/dbraw/zinc/97/34/34/612973434.db2.gz ZFPDMVDOHIUELP-HOTGVXAUSA-N 2 2 299.418 2.271 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023444831 625016088 /nfs/dbraw/zinc/01/60/88/625016088.db2.gz XKHRLPTWRYTOHH-CYBMUJFWSA-N 2 2 298.390 2.191 20 30 CEEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023444831 625016089 /nfs/dbraw/zinc/01/60/89/625016089.db2.gz XKHRLPTWRYTOHH-CYBMUJFWSA-N 2 2 298.390 2.191 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000892881038 627827688 /nfs/dbraw/zinc/82/76/88/627827688.db2.gz ORXUMNKCFNRXJE-UHFFFAOYSA-N 2 2 274.412 2.038 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321160 627876970 /nfs/dbraw/zinc/87/69/70/627876970.db2.gz ZCDNYLSWPGUNAZ-MRXNPFEDSA-N 2 2 296.418 2.478 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321160 627876973 /nfs/dbraw/zinc/87/69/73/627876973.db2.gz ZCDNYLSWPGUNAZ-MRXNPFEDSA-N 2 2 296.418 2.478 20 30 CEEDLP N#CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925705510 628547996 /nfs/dbraw/zinc/54/79/96/628547996.db2.gz KQDQEGMTOLVAFB-OAHLLOKOSA-N 2 2 255.365 2.127 20 30 CEEDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720682 634793585 /nfs/dbraw/zinc/79/35/85/634793585.db2.gz MHZPFWJPZOVDSK-ZDUSSCGKSA-N 2 2 260.385 2.336 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1c(C)onc1CC ZINC000815652556 633044272 /nfs/dbraw/zinc/04/42/72/633044272.db2.gz HXVNTUKTKXRZIX-GFCCVEGCSA-N 2 2 263.385 2.151 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1c(C)onc1CC ZINC000815652556 633044274 /nfs/dbraw/zinc/04/42/74/633044274.db2.gz HXVNTUKTKXRZIX-GFCCVEGCSA-N 2 2 263.385 2.151 20 30 CEEDLP C=CCCCCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817932589 633785887 /nfs/dbraw/zinc/78/58/87/633785887.db2.gz UZEQKQAGTVUVOG-CVEARBPZSA-N 2 2 266.429 2.480 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819023999 634044228 /nfs/dbraw/zinc/04/42/28/634044228.db2.gz MAGMBHNPRGOLPE-MRXNPFEDSA-N 2 2 278.371 2.099 20 30 CEEDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC000903425038 635124542 /nfs/dbraw/zinc/12/45/42/635124542.db2.gz PDMCLESTAUSGMI-OAHLLOKOSA-N 2 2 257.381 2.359 20 30 CEEDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000903425038 635124548 /nfs/dbraw/zinc/12/45/48/635124548.db2.gz PDMCLESTAUSGMI-OAHLLOKOSA-N 2 2 257.381 2.359 20 30 CEEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000828259071 636551577 /nfs/dbraw/zinc/55/15/77/636551577.db2.gz LEUNOOYHSUPNKQ-UHFFFAOYSA-N 2 2 293.374 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000828259071 636551582 /nfs/dbraw/zinc/55/15/82/636551582.db2.gz LEUNOOYHSUPNKQ-UHFFFAOYSA-N 2 2 293.374 2.478 20 30 CEEDLP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842152949 639966681 /nfs/dbraw/zinc/96/66/81/639966681.db2.gz OCLLWMMFOXOWIP-QGZVFWFLSA-N 2 2 289.423 2.255 20 30 CEEDLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842152949 639966684 /nfs/dbraw/zinc/96/66/84/639966684.db2.gz OCLLWMMFOXOWIP-QGZVFWFLSA-N 2 2 289.423 2.255 20 30 CEEDLP COc1ccc(O)c(/C=[NH+]\C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846756867 641413611 /nfs/dbraw/zinc/41/36/11/641413611.db2.gz NNBBTSGEBZINAX-XZWZMMNPSA-N 2 2 262.353 2.160 20 30 CEEDLP C[C@H](C[NH2+]Cc1csc(C#N)c1)Cn1cc[nH+]c1 ZINC000921610049 642257987 /nfs/dbraw/zinc/25/79/87/642257987.db2.gz RFSLPTXDMJEFEV-LLVKDONJSA-N 2 2 260.366 2.242 20 30 CEEDLP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000999160045 642462901 /nfs/dbraw/zinc/46/29/01/642462901.db2.gz HKJHDJZJAYITNG-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C[C@@H](C#N)OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852116783 643315952 /nfs/dbraw/zinc/31/59/52/643315952.db2.gz SWXGROFWAHWSRC-HNNXBMFYSA-N 2 2 287.407 2.169 20 30 CEEDLP C=CC[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000878058195 650986795 /nfs/dbraw/zinc/98/67/95/650986795.db2.gz YBLHMLLEVMKRGN-CYBMUJFWSA-N 2 2 261.369 2.177 20 30 CEEDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C#N)c1O ZINC000866250272 647695225 /nfs/dbraw/zinc/69/52/25/647695225.db2.gz XWEHCVRODNQTCS-NWDGAFQWSA-N 2 2 261.369 2.255 20 30 CEEDLP C=CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870666572 648865895 /nfs/dbraw/zinc/86/58/95/648865895.db2.gz HNPFBQHXVSIOTF-UHFFFAOYSA-N 2 2 288.395 2.128 20 30 CEEDLP C=C(C)[C@@H](CO)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950308 651364102 /nfs/dbraw/zinc/36/41/02/651364102.db2.gz MLFAISUHKDHQOX-OAHLLOKOSA-N 2 2 266.429 2.264 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCO1 ZINC000883223420 652405040 /nfs/dbraw/zinc/40/50/40/652405040.db2.gz PAFYOTFMNPAUNP-INWMFGNUSA-N 2 2 275.396 2.370 20 30 CEEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000884612823 652943843 /nfs/dbraw/zinc/94/38/43/652943843.db2.gz VEROVFCQBQBKFC-CQSZACIVSA-N 2 2 270.380 2.172 20 30 CEEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000884612823 652943847 /nfs/dbraw/zinc/94/38/47/652943847.db2.gz VEROVFCQBQBKFC-CQSZACIVSA-N 2 2 270.380 2.172 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086427174 811138052 /nfs/dbraw/zinc/13/80/52/811138052.db2.gz DNLWIILGKRALBB-HDJSIYSDSA-N 2 2 298.390 2.008 20 30 CEEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC#Cc1ccccc1)C2 ZINC001169108417 811404044 /nfs/dbraw/zinc/40/40/44/811404044.db2.gz SLYRYLAJCBYGSA-OSYLJGHBSA-N 2 2 254.377 2.253 20 30 CEEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC#Cc1ccccc1)C2 ZINC001169108417 811404049 /nfs/dbraw/zinc/40/40/49/811404049.db2.gz SLYRYLAJCBYGSA-OSYLJGHBSA-N 2 2 254.377 2.253 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001044648477 811518991 /nfs/dbraw/zinc/51/89/91/811518991.db2.gz NXMGTUMWNDGHPA-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP N#CCc1ccc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001169792955 811672690 /nfs/dbraw/zinc/67/26/90/811672690.db2.gz GUIPJFBHEHPQAJ-UHFFFAOYSA-N 2 2 256.353 2.045 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198630 815711081 /nfs/dbraw/zinc/71/10/81/815711081.db2.gz NBYKGMQCCBUCKX-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198630 815711085 /nfs/dbraw/zinc/71/10/85/815711085.db2.gz NBYKGMQCCBUCKX-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(C#N)c3)C[C@@H]2C1 ZINC001139727471 816096377 /nfs/dbraw/zinc/09/63/77/816096377.db2.gz RUIBPHQEVBIWOU-IRXDYDNUSA-N 2 2 269.392 2.250 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC001140970947 816427992 /nfs/dbraw/zinc/42/79/92/816427992.db2.gz AJJHUFCYOSUOMA-MRXNPFEDSA-N 2 2 298.434 2.174 20 30 CEEDLP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001140970947 816427995 /nfs/dbraw/zinc/42/79/95/816427995.db2.gz AJJHUFCYOSUOMA-MRXNPFEDSA-N 2 2 298.434 2.174 20 30 CEEDLP C=CCOCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000312598031 539290719 /nfs/dbraw/zinc/29/07/19/539290719.db2.gz OPZWUJXHARBHAG-UHFFFAOYSA-N 2 2 271.364 2.473 20 30 CEEDLP C[C@@H]([NH2+]CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657278 365751605 /nfs/dbraw/zinc/75/16/05/365751605.db2.gz POQLDWGYIKMRRO-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]([NH2+]CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657278 365751610 /nfs/dbraw/zinc/75/16/10/365751610.db2.gz POQLDWGYIKMRRO-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1C#N ZINC000602004320 346955849 /nfs/dbraw/zinc/95/58/49/346955849.db2.gz LHSOGFAWDGLUFS-NSHDSACASA-N 2 2 258.300 2.072 20 30 CEEDLP C=CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CC1 ZINC000121576391 539405759 /nfs/dbraw/zinc/40/57/59/539405759.db2.gz WPXAUUSSILQQBD-MRXNPFEDSA-N 2 2 266.429 2.432 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728148 345275875 /nfs/dbraw/zinc/27/58/75/345275875.db2.gz LAWBKPXDSYIXGW-GJZGRUSLSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728148 345275880 /nfs/dbraw/zinc/27/58/80/345275880.db2.gz LAWBKPXDSYIXGW-GJZGRUSLSA-N 2 2 262.401 2.140 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@@H+]1C1CC1 ZINC000592371146 345346824 /nfs/dbraw/zinc/34/68/24/345346824.db2.gz RLVZFUKIJLGSAS-CZUORRHYSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@H+]1C1CC1 ZINC000592371146 345346826 /nfs/dbraw/zinc/34/68/26/345346826.db2.gz RLVZFUKIJLGSAS-CZUORRHYSA-N 2 2 269.392 2.467 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000592984380 345418441 /nfs/dbraw/zinc/41/84/41/345418441.db2.gz AXWIOWUKIXADFJ-HNNXBMFYSA-N 2 2 255.365 2.323 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595870165 345902087 /nfs/dbraw/zinc/90/20/87/345902087.db2.gz YFEDWIMMYBYPNJ-KDOFPFPSSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595870165 345902089 /nfs/dbraw/zinc/90/20/89/345902089.db2.gz YFEDWIMMYBYPNJ-KDOFPFPSSA-N 2 2 299.418 2.150 20 30 CEEDLP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1C[NH+](C)C1 ZINC000597204668 346148157 /nfs/dbraw/zinc/14/81/57/346148157.db2.gz CNNMEBXWCAPNET-UHFFFAOYSA-N 2 2 271.408 2.481 20 30 CEEDLP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1C[NH+](C)C1 ZINC000597204668 346148160 /nfs/dbraw/zinc/14/81/60/346148160.db2.gz CNNMEBXWCAPNET-UHFFFAOYSA-N 2 2 271.408 2.481 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000598598794 346381283 /nfs/dbraw/zinc/38/12/83/346381283.db2.gz VWSOIBSXOMHMCJ-ILXRZTDVSA-N 2 2 290.411 2.067 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000598598794 346381286 /nfs/dbraw/zinc/38/12/86/346381286.db2.gz VWSOIBSXOMHMCJ-ILXRZTDVSA-N 2 2 290.411 2.067 20 30 CEEDLP Cc1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1C#N ZINC000599472294 346525776 /nfs/dbraw/zinc/52/57/76/346525776.db2.gz RFKNJCVWLCRPJL-UHFFFAOYSA-N 2 2 299.418 2.163 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664478 347131384 /nfs/dbraw/zinc/13/13/84/347131384.db2.gz FDUZYYQNKCSDJK-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1C#N ZINC000602664478 347131386 /nfs/dbraw/zinc/13/13/86/347131386.db2.gz FDUZYYQNKCSDJK-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(F)c1C#N ZINC000602664478 347131388 /nfs/dbraw/zinc/13/13/88/347131388.db2.gz FDUZYYQNKCSDJK-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(F)c1C#N ZINC000602664478 347131390 /nfs/dbraw/zinc/13/13/90/347131390.db2.gz FDUZYYQNKCSDJK-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP N#CC1(c2ccccc2)CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000086036613 179221595 /nfs/dbraw/zinc/22/15/95/179221595.db2.gz XFUZNWUEJFJPGM-UHFFFAOYSA-N 2 2 280.375 2.487 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000611243825 347757576 /nfs/dbraw/zinc/75/75/76/347757576.db2.gz ZXAUIENWLQOCNB-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000611243825 347757580 /nfs/dbraw/zinc/75/75/80/347757580.db2.gz ZXAUIENWLQOCNB-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556308 366337282 /nfs/dbraw/zinc/33/72/82/366337282.db2.gz BJPXNKLJAWRMFH-BMGDILEWSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556308 366337285 /nfs/dbraw/zinc/33/72/85/366337285.db2.gz BJPXNKLJAWRMFH-BMGDILEWSA-N 2 2 299.418 2.462 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180045152 189234642 /nfs/dbraw/zinc/23/46/42/189234642.db2.gz SJLCRZKEMJZJAH-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180045152 189234643 /nfs/dbraw/zinc/23/46/43/189234643.db2.gz SJLCRZKEMJZJAH-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000180045152 189234644 /nfs/dbraw/zinc/23/46/44/189234644.db2.gz SJLCRZKEMJZJAH-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180045152 189234645 /nfs/dbraw/zinc/23/46/45/189234645.db2.gz SJLCRZKEMJZJAH-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C=CCc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC)c1O ZINC000032049302 361725233 /nfs/dbraw/zinc/72/52/33/361725233.db2.gz JROSDSQRNJTIKZ-UHFFFAOYSA-N 2 2 276.380 2.052 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000335661012 212378556 /nfs/dbraw/zinc/37/85/56/212378556.db2.gz RTTQDKBJKSNSJU-GFCCVEGCSA-N 2 2 272.377 2.343 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000335661012 212378558 /nfs/dbraw/zinc/37/85/58/212378558.db2.gz RTTQDKBJKSNSJU-GFCCVEGCSA-N 2 2 272.377 2.343 20 30 CEEDLP CC#CCO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000180624352 368389740 /nfs/dbraw/zinc/38/97/40/368389740.db2.gz NPGGFLDVSXYEGN-UHFFFAOYSA-N 2 2 285.391 2.333 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246157232 370916748 /nfs/dbraw/zinc/91/67/48/370916748.db2.gz BZADXDPEBQABTK-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246157232 370916753 /nfs/dbraw/zinc/91/67/53/370916753.db2.gz BZADXDPEBQABTK-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246157232 370916755 /nfs/dbraw/zinc/91/67/55/370916755.db2.gz BZADXDPEBQABTK-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246157232 370916756 /nfs/dbraw/zinc/91/67/56/370916756.db2.gz BZADXDPEBQABTK-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP N#CC1(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000348332037 369007404 /nfs/dbraw/zinc/00/74/04/369007404.db2.gz SXYFOCOWAPJKIQ-IAGOWNOFSA-N 2 2 281.403 2.354 20 30 CEEDLP N#Cc1csc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000352852826 369914917 /nfs/dbraw/zinc/91/49/17/369914917.db2.gz KRCRBOXFRWOEOM-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP C=CC[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000195028373 370097896 /nfs/dbraw/zinc/09/78/96/370097896.db2.gz KDQGZNZSFHYWMO-MRXNPFEDSA-N 2 2 297.406 2.134 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000359976072 371495865 /nfs/dbraw/zinc/49/58/65/371495865.db2.gz GDLYSFJUUUVQEE-ARFHVFGLSA-N 2 2 276.424 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)CC(C)C)CC1 ZINC000361218269 371721528 /nfs/dbraw/zinc/72/15/28/371721528.db2.gz XLZWCQUVPBKQGD-OAHLLOKOSA-N 2 2 254.418 2.288 20 30 CEEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264067189 371961045 /nfs/dbraw/zinc/96/10/45/371961045.db2.gz BSIYABHOQGIBJG-UHFFFAOYSA-N 2 2 292.427 2.115 20 30 CEEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264067189 371961054 /nfs/dbraw/zinc/96/10/54/371961054.db2.gz BSIYABHOQGIBJG-UHFFFAOYSA-N 2 2 292.427 2.115 20 30 CEEDLP C[NH+](C)C1CC[NH+](CCNc2cccc(F)c2C#N)CC1 ZINC000267226488 372063106 /nfs/dbraw/zinc/06/31/06/372063106.db2.gz UWDHHEFWDAYHHR-UHFFFAOYSA-N 2 2 290.386 2.135 20 30 CEEDLP C=CCOCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000643479637 373145743 /nfs/dbraw/zinc/14/57/43/373145743.db2.gz XKWLUIJWCXJXHR-SJORKVTESA-N 2 2 290.407 2.281 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285922932 375843937 /nfs/dbraw/zinc/84/39/37/375843937.db2.gz DVSXXOCSWOPGPO-GOSISDBHSA-N 2 2 298.434 2.211 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285922932 375843942 /nfs/dbraw/zinc/84/39/42/375843942.db2.gz DVSXXOCSWOPGPO-GOSISDBHSA-N 2 2 298.434 2.211 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)CCC3)CC2)cc1 ZINC000305805027 376497051 /nfs/dbraw/zinc/49/70/51/376497051.db2.gz YWNZTQYEWLLJED-UHFFFAOYSA-N 2 2 299.418 2.027 20 30 CEEDLP C=CC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420979121 376754618 /nfs/dbraw/zinc/75/46/18/376754618.db2.gz UXDFUKVGKPCFAN-UHFFFAOYSA-N 2 2 299.418 2.420 20 30 CEEDLP C=CC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420979121 376754621 /nfs/dbraw/zinc/75/46/21/376754621.db2.gz UXDFUKVGKPCFAN-UHFFFAOYSA-N 2 2 299.418 2.420 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882413 /nfs/dbraw/zinc/88/24/13/376882413.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882426 /nfs/dbraw/zinc/88/24/26/376882426.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882437 /nfs/dbraw/zinc/88/24/37/376882437.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882446 /nfs/dbraw/zinc/88/24/46/376882446.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000563709428 377282249 /nfs/dbraw/zinc/28/22/49/377282249.db2.gz UBMIJAOZBPMIRR-CVEARBPZSA-N 2 2 276.428 2.388 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000563709428 377282257 /nfs/dbraw/zinc/28/22/57/377282257.db2.gz UBMIJAOZBPMIRR-CVEARBPZSA-N 2 2 276.428 2.388 20 30 CEEDLP C=CCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000565226752 377617340 /nfs/dbraw/zinc/61/73/40/377617340.db2.gz MTXUCDCPNOUSQT-GJZGRUSLSA-N 2 2 252.402 2.089 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000566017290 377711697 /nfs/dbraw/zinc/71/16/97/377711697.db2.gz JEHYJNQHLKMEMO-INIZCTEOSA-N 2 2 280.375 2.476 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000566017290 377711703 /nfs/dbraw/zinc/71/17/03/377711703.db2.gz JEHYJNQHLKMEMO-INIZCTEOSA-N 2 2 280.375 2.476 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000436245248 377822106 /nfs/dbraw/zinc/82/21/06/377822106.db2.gz UAWDCNNCNZWLQN-UHFFFAOYSA-N 2 2 275.396 2.220 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000436314510 377824393 /nfs/dbraw/zinc/82/43/93/377824393.db2.gz YDWRQAPRTQMEFZ-XRGAULLZSA-N 2 2 264.413 2.040 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000436314510 377824400 /nfs/dbraw/zinc/82/44/00/377824400.db2.gz YDWRQAPRTQMEFZ-XRGAULLZSA-N 2 2 264.413 2.040 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000519539066 379430999 /nfs/dbraw/zinc/43/09/99/379430999.db2.gz JKGOQXRNWNKCLR-QGZVFWFLSA-N 2 2 293.374 2.465 20 30 CEEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C[NH2+]C ZINC000521446596 379531234 /nfs/dbraw/zinc/53/12/34/379531234.db2.gz GTIHQZGTEJFSBJ-ZDUSSCGKSA-N 2 2 288.844 2.360 20 30 CEEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C[NH2+]C ZINC000521446596 379531241 /nfs/dbraw/zinc/53/12/41/379531241.db2.gz GTIHQZGTEJFSBJ-ZDUSSCGKSA-N 2 2 288.844 2.360 20 30 CEEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC1CCCCC1 ZINC000303780210 394480856 /nfs/dbraw/zinc/48/08/56/394480856.db2.gz LECRDHRUSYELRV-UHFFFAOYSA-N 2 2 298.394 2.004 20 30 CEEDLP CC(C)CCNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000104154712 394717875 /nfs/dbraw/zinc/71/78/75/394717875.db2.gz NBNOQEUAZMGGNB-GFCCVEGCSA-N 2 2 282.457 2.301 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000290425148 395102295 /nfs/dbraw/zinc/10/22/95/395102295.db2.gz RHTRPAGGRBFUFF-BBRMVZONSA-N 2 2 254.377 2.383 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000290425148 395102298 /nfs/dbraw/zinc/10/22/98/395102298.db2.gz RHTRPAGGRBFUFF-BBRMVZONSA-N 2 2 254.377 2.383 20 30 CEEDLP C#CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290525548 395107303 /nfs/dbraw/zinc/10/73/03/395107303.db2.gz QHERXXUCKCOUAE-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP C#CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290525548 395107309 /nfs/dbraw/zinc/10/73/09/395107309.db2.gz QHERXXUCKCOUAE-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000346853008 395110937 /nfs/dbraw/zinc/11/09/37/395110937.db2.gz XOJRVKYXCRYXTD-JKSUJKDBSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000346853008 395110941 /nfs/dbraw/zinc/11/09/41/395110941.db2.gz XOJRVKYXCRYXTD-JKSUJKDBSA-N 2 2 290.407 2.190 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737901 395560192 /nfs/dbraw/zinc/56/01/92/395560192.db2.gz VROJEQNQSKVZJZ-BDJLRTHQSA-N 2 2 273.355 2.270 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737901 395560195 /nfs/dbraw/zinc/56/01/95/395560195.db2.gz VROJEQNQSKVZJZ-BDJLRTHQSA-N 2 2 273.355 2.270 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568857409 395570819 /nfs/dbraw/zinc/57/08/19/395570819.db2.gz CKIVNNIWSPPFCG-OAHLLOKOSA-N 2 2 293.374 2.465 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000488423118 395668264 /nfs/dbraw/zinc/66/82/64/395668264.db2.gz VRGOQRZFNMFUOL-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000488423118 395668265 /nfs/dbraw/zinc/66/82/65/395668265.db2.gz VRGOQRZFNMFUOL-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000037228633 173049271 /nfs/dbraw/zinc/04/92/71/173049271.db2.gz BOGILRKNENWLGO-AWEZNQCLSA-N 2 2 273.380 2.335 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037320410 173120943 /nfs/dbraw/zinc/12/09/43/173120943.db2.gz KABJXLYUWGWMOG-STQMWFEESA-N 2 2 254.337 2.494 20 30 CEEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000078507079 177348177 /nfs/dbraw/zinc/34/81/77/177348177.db2.gz KGVYXTMWOYAERU-HUUCEWRRSA-N 2 2 287.407 2.147 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C2 ZINC000364030710 262106691 /nfs/dbraw/zinc/10/66/91/262106691.db2.gz QVSBUEGYPJEMCH-MJBXVCDLSA-N 2 2 258.369 2.178 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367701467 267110872 /nfs/dbraw/zinc/11/08/72/267110872.db2.gz KYWZRDCQTMGEAG-MRXNPFEDSA-N 2 2 295.386 2.422 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367701467 267110875 /nfs/dbraw/zinc/11/08/75/267110875.db2.gz KYWZRDCQTMGEAG-MRXNPFEDSA-N 2 2 295.386 2.422 20 30 CEEDLP C=CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368967199 267215354 /nfs/dbraw/zinc/21/53/54/267215354.db2.gz VRYVLGWUDUMUQQ-FZMZJTMJSA-N 2 2 265.426 2.438 20 30 CEEDLP C=CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368967199 267215357 /nfs/dbraw/zinc/21/53/57/267215357.db2.gz VRYVLGWUDUMUQQ-FZMZJTMJSA-N 2 2 265.426 2.438 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000518517987 327170553 /nfs/dbraw/zinc/17/05/53/327170553.db2.gz VHZYLUVVKYKLRS-MRXNPFEDSA-N 2 2 257.381 2.054 20 30 CEEDLP N#CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000518517987 327170555 /nfs/dbraw/zinc/17/05/55/327170555.db2.gz VHZYLUVVKYKLRS-MRXNPFEDSA-N 2 2 257.381 2.054 20 30 CEEDLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCC1 ZINC000263069504 330041969 /nfs/dbraw/zinc/04/19/69/330041969.db2.gz GMBQGWULUCHGJY-UHFFFAOYSA-N 2 2 289.770 2.046 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506484 330208832 /nfs/dbraw/zinc/20/88/32/330208832.db2.gz HUVGGQJSEJLODK-BSWAZPDLSA-N 2 2 269.392 2.414 20 30 CEEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000491630399 332252979 /nfs/dbraw/zinc/25/29/79/332252979.db2.gz MRWDTJJEQPAFAS-LLVKDONJSA-N 2 2 262.319 2.405 20 30 CEEDLP C=CCCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000575508089 335106413 /nfs/dbraw/zinc/10/64/13/335106413.db2.gz YUEVRWUKXVNQGF-UHFFFAOYSA-N 2 2 260.385 2.263 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1C1CC1 ZINC000404674744 533954528 /nfs/dbraw/zinc/95/45/28/533954528.db2.gz FSQCJKDBSBOUEC-RISCZKNCSA-N 2 2 273.355 2.412 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1C1CC1 ZINC000404674744 533954541 /nfs/dbraw/zinc/95/45/41/533954541.db2.gz FSQCJKDBSBOUEC-RISCZKNCSA-N 2 2 273.355 2.412 20 30 CEEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(CO)o1 ZINC000352808047 526553637 /nfs/dbraw/zinc/55/36/37/526553637.db2.gz YFQFBMHAGIBBPX-UHFFFAOYSA-N 2 2 275.352 2.047 20 30 CEEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(CO)o1 ZINC000352808047 526553644 /nfs/dbraw/zinc/55/36/44/526553644.db2.gz YFQFBMHAGIBBPX-UHFFFAOYSA-N 2 2 275.352 2.047 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353687029 526902688 /nfs/dbraw/zinc/90/26/88/526902688.db2.gz LKBNPFBJEHEWKI-NVXWUHKLSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353687029 526902691 /nfs/dbraw/zinc/90/26/91/526902691.db2.gz LKBNPFBJEHEWKI-NVXWUHKLSA-N 2 2 272.392 2.435 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000733328363 574664476 /nfs/dbraw/zinc/66/44/76/574664476.db2.gz PQYSNAVFJJRZJX-HNNXBMFYSA-N 2 2 270.376 2.025 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000733328363 574664478 /nfs/dbraw/zinc/66/44/78/574664478.db2.gz PQYSNAVFJJRZJX-HNNXBMFYSA-N 2 2 270.376 2.025 20 30 CEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000745261314 575135726 /nfs/dbraw/zinc/13/57/26/575135726.db2.gz RVOFGUPIYCEKGI-SFHVURJKSA-N 2 2 299.418 2.003 20 30 CEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000745261314 575135727 /nfs/dbraw/zinc/13/57/27/575135727.db2.gz RVOFGUPIYCEKGI-SFHVURJKSA-N 2 2 299.418 2.003 20 30 CEEDLP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170690 613862302 /nfs/dbraw/zinc/86/23/02/613862302.db2.gz PPAMMYOUSFMVKZ-KGLIPLIRSA-N 2 2 298.390 2.380 20 30 CEEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222394 613872235 /nfs/dbraw/zinc/87/22/35/613872235.db2.gz AHPYGWCNVALQFZ-UONOGXRCSA-N 2 2 298.390 2.151 20 30 CEEDLP C=CCOCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926702483 625775883 /nfs/dbraw/zinc/77/58/83/625775883.db2.gz HVBGCACZPWAKOH-GJZGRUSLSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926702483 625775888 /nfs/dbraw/zinc/77/58/88/625775888.db2.gz HVBGCACZPWAKOH-GJZGRUSLSA-N 2 2 252.402 2.186 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000894862910 629702073 /nfs/dbraw/zinc/70/20/73/629702073.db2.gz MRYHHHAJNJIUHT-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000894862910 629702075 /nfs/dbraw/zinc/70/20/75/629702075.db2.gz MRYHHHAJNJIUHT-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229735 631003558 /nfs/dbraw/zinc/00/35/58/631003558.db2.gz WPAJWTBBKPVWII-QGZVFWFLSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897229735 631003561 /nfs/dbraw/zinc/00/35/61/631003561.db2.gz WPAJWTBBKPVWII-QGZVFWFLSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229734 631003799 /nfs/dbraw/zinc/00/37/99/631003799.db2.gz WPAJWTBBKPVWII-KRWDZBQOSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897229734 631003804 /nfs/dbraw/zinc/00/38/04/631003804.db2.gz WPAJWTBBKPVWII-KRWDZBQOSA-N 2 2 278.440 2.413 20 30 CEEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000925214891 631177002 /nfs/dbraw/zinc/17/70/02/631177002.db2.gz NQKJVDIHRPBMAU-TZMCWYRMSA-N 2 2 269.458 2.342 20 30 CEEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902850711 634860786 /nfs/dbraw/zinc/86/07/86/634860786.db2.gz RXUSNPMUUNLUBF-ZDUSSCGKSA-N 2 2 272.396 2.477 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817948731 633794795 /nfs/dbraw/zinc/79/47/95/633794795.db2.gz CZYYNZSAVZGNFJ-UKRRQHHQSA-N 2 2 273.380 2.382 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000817949775 633795347 /nfs/dbraw/zinc/79/53/47/633795347.db2.gz MRXYCSFVOREPLS-ZBFHGGJFSA-N 2 2 272.392 2.491 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000903464066 635128616 /nfs/dbraw/zinc/12/86/16/635128616.db2.gz YLEFCEGQPJTHQH-UHFFFAOYSA-N 2 2 255.365 2.098 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000903464066 635128619 /nfs/dbraw/zinc/12/86/19/635128619.db2.gz YLEFCEGQPJTHQH-UHFFFAOYSA-N 2 2 255.365 2.098 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154553536 640923136 /nfs/dbraw/zinc/92/31/36/640923136.db2.gz BZLMIYPEWQDPMY-HOCLYGCPSA-N 2 2 272.392 2.443 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154553536 640923137 /nfs/dbraw/zinc/92/31/37/640923137.db2.gz BZLMIYPEWQDPMY-HOCLYGCPSA-N 2 2 272.392 2.443 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579668 641572207 /nfs/dbraw/zinc/57/22/07/641572207.db2.gz JCJMSFQGWYRVST-ZFWWWQNUSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCC#N)cc1 ZINC000181579668 641572211 /nfs/dbraw/zinc/57/22/11/641572211.db2.gz JCJMSFQGWYRVST-ZFWWWQNUSA-N 2 2 273.380 2.334 20 30 CEEDLP N#CCCCC[C@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000848630970 642082104 /nfs/dbraw/zinc/08/21/04/642082104.db2.gz BOPWLFUSKSFCIK-ZDUSSCGKSA-N 2 2 296.334 2.468 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000848912789 642187511 /nfs/dbraw/zinc/18/75/11/642187511.db2.gz VXZLGFAANUKDPP-CVEARBPZSA-N 2 2 278.440 2.267 20 30 CEEDLP CNC(NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)=[NH+]C ZINC000849029050 642242327 /nfs/dbraw/zinc/24/23/27/642242327.db2.gz YWICVXAQAAZYED-INIZCTEOSA-N 2 2 290.455 2.283 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742436 650887404 /nfs/dbraw/zinc/88/74/04/650887404.db2.gz PKRZRTGCRBEHFY-JKSUJKDBSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742436 650887407 /nfs/dbraw/zinc/88/74/07/650887407.db2.gz PKRZRTGCRBEHFY-JKSUJKDBSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877742436 650887410 /nfs/dbraw/zinc/88/74/10/650887410.db2.gz PKRZRTGCRBEHFY-JKSUJKDBSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877742436 650887413 /nfs/dbraw/zinc/88/74/13/650887413.db2.gz PKRZRTGCRBEHFY-JKSUJKDBSA-N 2 2 285.391 2.093 20 30 CEEDLP C#C[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000862362714 646413363 /nfs/dbraw/zinc/41/33/63/646413363.db2.gz DJWVLACLRFCGTO-CYBMUJFWSA-N 2 2 291.826 2.203 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000775343254 646943332 /nfs/dbraw/zinc/94/33/32/646943332.db2.gz VPNUHJMUNYHKSA-SJORKVTESA-N 2 2 281.359 2.143 20 30 CEEDLP C[C@@H]1C[NH+]=C(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)N1 ZINC000779795947 647355395 /nfs/dbraw/zinc/35/53/95/647355395.db2.gz ZKAMBBBXFURMST-QCQOXABVSA-N 2 2 297.406 2.221 20 30 CEEDLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866259431 647700058 /nfs/dbraw/zinc/70/00/58/647700058.db2.gz BLOVLVZMTJCHBO-LBPRGKRZSA-N 2 2 273.380 2.256 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143147 651391422 /nfs/dbraw/zinc/39/14/22/651391422.db2.gz YKXNJCKZPCZGEN-IAGOWNOFSA-N 2 2 269.392 2.269 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143147 651391423 /nfs/dbraw/zinc/39/14/23/651391423.db2.gz YKXNJCKZPCZGEN-IAGOWNOFSA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000880143147 651391424 /nfs/dbraw/zinc/39/14/24/651391424.db2.gz YKXNJCKZPCZGEN-IAGOWNOFSA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC000880143147 651391425 /nfs/dbraw/zinc/39/14/25/651391425.db2.gz YKXNJCKZPCZGEN-IAGOWNOFSA-N 2 2 269.392 2.269 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000883131449 652372635 /nfs/dbraw/zinc/37/26/35/652372635.db2.gz BVNNPDQGFPYZKA-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000883131449 652372636 /nfs/dbraw/zinc/37/26/36/652372636.db2.gz BVNNPDQGFPYZKA-UHFFFAOYSA-N 2 2 290.798 2.032 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000883131283 652372762 /nfs/dbraw/zinc/37/27/62/652372762.db2.gz UKLDVMJBKMJYQM-UHFFFAOYSA-N 2 2 285.313 2.145 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000883131283 652372763 /nfs/dbraw/zinc/37/27/63/652372763.db2.gz UKLDVMJBKMJYQM-UHFFFAOYSA-N 2 2 285.313 2.145 20 30 CEEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883165165 652384991 /nfs/dbraw/zinc/38/49/91/652384991.db2.gz XUFKCHQBBRRYRV-LSDHHAIUSA-N 2 2 263.385 2.377 20 30 CEEDLP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001269438243 805164896 /nfs/dbraw/zinc/16/48/96/805164896.db2.gz QAYRMPDJUPFIBC-CYBMUJFWSA-N 2 2 286.379 2.008 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000922016904 809011357 /nfs/dbraw/zinc/01/13/57/809011357.db2.gz JPYAQRWNSVVCQL-OAHLLOKOSA-N 2 2 280.375 2.476 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000701826184 809465518 /nfs/dbraw/zinc/46/55/18/809465518.db2.gz IJVWNJZLOJVWIN-BBRMVZONSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000701826184 809465522 /nfs/dbraw/zinc/46/55/22/809465522.db2.gz IJVWNJZLOJVWIN-BBRMVZONSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1[nH+]cn([C@H]2CC[C@H](C#N)C2)c1CSCC[NH3+] ZINC001254643180 812517109 /nfs/dbraw/zinc/51/71/09/812517109.db2.gz NBJATSKWAIYRSS-RYUDHWBXSA-N 2 2 264.398 2.248 20 30 CEEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969882 813347859 /nfs/dbraw/zinc/34/78/59/813347859.db2.gz OFRHZNHAMYRZHM-CHWSQXEVSA-N 2 2 286.379 2.007 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080176 813362780 /nfs/dbraw/zinc/36/27/80/813362780.db2.gz MDVAMYDPLDFUDC-CQSZACIVSA-N 2 2 292.427 2.041 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080176 813362786 /nfs/dbraw/zinc/36/27/86/813362786.db2.gz MDVAMYDPLDFUDC-CQSZACIVSA-N 2 2 292.427 2.041 20 30 CEEDLP CCCCCCCC[C@H](O)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246019696 813662823 /nfs/dbraw/zinc/66/28/23/813662823.db2.gz JJKCYWIAUSLRLF-JKSUJKDBSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@H](O)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246019696 813662827 /nfs/dbraw/zinc/66/28/27/813662827.db2.gz JJKCYWIAUSLRLF-JKSUJKDBSA-N 2 2 286.460 2.018 20 30 CEEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1O ZINC001246101334 813690783 /nfs/dbraw/zinc/69/07/83/813690783.db2.gz OZMFSEZEHUJSAA-KKUMJFAQSA-N 2 2 256.434 2.438 20 30 CEEDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cn1 ZINC001144166742 813977991 /nfs/dbraw/zinc/97/79/91/813977991.db2.gz SWGKFTPOYOZPFR-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cn1 ZINC001144166742 813977995 /nfs/dbraw/zinc/97/79/95/813977995.db2.gz SWGKFTPOYOZPFR-UHFFFAOYSA-N 2 2 260.385 2.117 20 30 CEEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707047 814310317 /nfs/dbraw/zinc/31/03/17/814310317.db2.gz NFBVLIGGUMSCBY-HUUCEWRRSA-N 2 2 292.427 2.112 20 30 CEEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246929545 814430449 /nfs/dbraw/zinc/43/04/49/814430449.db2.gz FVFBUPRWSPLSSZ-BFHYXJOUSA-N 2 2 270.417 2.168 20 30 CEEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246929545 814430454 /nfs/dbraw/zinc/43/04/54/814430454.db2.gz FVFBUPRWSPLSSZ-BFHYXJOUSA-N 2 2 270.417 2.168 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601326 815758803 /nfs/dbraw/zinc/75/88/03/815758803.db2.gz QSPGQXUWNUOODQ-JWMHWRSXSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601326 815758808 /nfs/dbraw/zinc/75/88/08/815758808.db2.gz QSPGQXUWNUOODQ-JWMHWRSXSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601326 815758811 /nfs/dbraw/zinc/75/88/11/815758811.db2.gz QSPGQXUWNUOODQ-JWMHWRSXSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173601326 815758817 /nfs/dbraw/zinc/75/88/17/815758817.db2.gz QSPGQXUWNUOODQ-JWMHWRSXSA-N 2 2 261.413 2.485 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462742 816204846 /nfs/dbraw/zinc/20/48/46/816204846.db2.gz WBAPSQSJEAPLOX-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cncc(OCC)c2)CC1 ZINC000621334800 349565136 /nfs/dbraw/zinc/56/51/36/349565136.db2.gz RQWJCJGFHBLERH-UHFFFAOYSA-N 2 2 275.396 2.220 20 30 CEEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000036984834 361880636 /nfs/dbraw/zinc/88/06/36/361880636.db2.gz LGLIGGZIKHDQIR-AWEZNQCLSA-N 2 2 257.381 2.400 20 30 CEEDLP COC1CC[NH+](CC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000080374794 344007537 /nfs/dbraw/zinc/00/75/37/344007537.db2.gz DRAHCFBZPPMWLY-UHFFFAOYSA-N 2 2 267.417 2.017 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668538267 539192992 /nfs/dbraw/zinc/19/29/92/539192992.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 2 2 290.407 2.253 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668538267 539192994 /nfs/dbraw/zinc/19/29/94/539192994.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 2 2 290.407 2.253 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000601994682 346952042 /nfs/dbraw/zinc/95/20/42/346952042.db2.gz APGSPSNMEZSVJD-UHFFFAOYSA-N 2 2 261.344 2.271 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)o1 ZINC000093536852 344227118 /nfs/dbraw/zinc/22/71/18/344227118.db2.gz MIWKMMSRRVPRQA-DAXOMENPSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)o1 ZINC000093536852 344227120 /nfs/dbraw/zinc/22/71/20/344227120.db2.gz MIWKMMSRRVPRQA-DAXOMENPSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)o1 ZINC000093536852 344227122 /nfs/dbraw/zinc/22/71/22/344227122.db2.gz MIWKMMSRRVPRQA-DAXOMENPSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)o1 ZINC000093536852 344227123 /nfs/dbraw/zinc/22/71/23/344227123.db2.gz MIWKMMSRRVPRQA-DAXOMENPSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718553 345011554 /nfs/dbraw/zinc/01/15/54/345011554.db2.gz KYNGPQGWZLCRPY-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718553 345011556 /nfs/dbraw/zinc/01/15/56/345011556.db2.gz KYNGPQGWZLCRPY-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056809 345736181 /nfs/dbraw/zinc/73/61/81/345736181.db2.gz WTPTVAYMTDOSOA-GUYCJALGSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056809 345736182 /nfs/dbraw/zinc/73/61/82/345736182.db2.gz WTPTVAYMTDOSOA-GUYCJALGSA-N 2 2 269.392 2.173 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504598 345797282 /nfs/dbraw/zinc/79/72/82/345797282.db2.gz KJVYPCXDUBTLOW-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504598 345797284 /nfs/dbraw/zinc/79/72/84/345797284.db2.gz KJVYPCXDUBTLOW-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504598 345797286 /nfs/dbraw/zinc/79/72/86/345797286.db2.gz KJVYPCXDUBTLOW-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504598 345797287 /nfs/dbraw/zinc/79/72/87/345797287.db2.gz KJVYPCXDUBTLOW-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595870166 345902218 /nfs/dbraw/zinc/90/22/18/345902218.db2.gz YFEDWIMMYBYPNJ-KSSFIOAISA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595870166 345902220 /nfs/dbraw/zinc/90/22/20/345902220.db2.gz YFEDWIMMYBYPNJ-KSSFIOAISA-N 2 2 299.418 2.150 20 30 CEEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727971 346410484 /nfs/dbraw/zinc/41/04/84/346410484.db2.gz LIERTNTUSJNJKH-JKSUJKDBSA-N 2 2 295.471 2.387 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600607416 346661293 /nfs/dbraw/zinc/66/12/93/346661293.db2.gz YBPHTWSDTPKMSH-ZBFHGGJFSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600607416 346661294 /nfs/dbraw/zinc/66/12/94/346661294.db2.gz YBPHTWSDTPKMSH-ZBFHGGJFSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CCC1(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000602823773 347213758 /nfs/dbraw/zinc/21/37/58/347213758.db2.gz ZMHXLVZHTNUVAC-CQSZACIVSA-N 2 2 257.337 2.229 20 30 CEEDLP N#CCC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000602823773 347213760 /nfs/dbraw/zinc/21/37/60/347213760.db2.gz ZMHXLVZHTNUVAC-CQSZACIVSA-N 2 2 257.337 2.229 20 30 CEEDLP Cn1c[nH+]cc1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908179 347244777 /nfs/dbraw/zinc/24/47/77/347244777.db2.gz ZGFAKQNZRZEJFJ-UHFFFAOYSA-N 2 2 295.390 2.109 20 30 CEEDLP N#Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccn1 ZINC000611180934 347749294 /nfs/dbraw/zinc/74/92/94/347749294.db2.gz XXKKHPYJEUVDAJ-UHFFFAOYSA-N 2 2 293.374 2.425 20 30 CEEDLP CC[N@H+](CCC#N)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611253900 347759217 /nfs/dbraw/zinc/75/92/17/347759217.db2.gz LSIXZHUVPTYRCO-UHFFFAOYSA-N 2 2 275.396 2.363 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611253900 347759218 /nfs/dbraw/zinc/75/92/18/347759218.db2.gz LSIXZHUVPTYRCO-UHFFFAOYSA-N 2 2 275.396 2.363 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807251 349044896 /nfs/dbraw/zinc/04/48/96/349044896.db2.gz TYMNAWOVPTUZCW-RLCCDNCMSA-N 2 2 255.365 2.085 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807251 349044900 /nfs/dbraw/zinc/04/49/00/349044900.db2.gz TYMNAWOVPTUZCW-RLCCDNCMSA-N 2 2 255.365 2.085 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000623633236 350070681 /nfs/dbraw/zinc/07/06/81/350070681.db2.gz HYNZRQWJUGSCLP-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000623633236 350070682 /nfs/dbraw/zinc/07/06/82/350070682.db2.gz HYNZRQWJUGSCLP-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803064 363002879 /nfs/dbraw/zinc/00/28/79/363002879.db2.gz LCPJAEOCHLINDD-SFHVURJKSA-N 2 2 299.418 2.102 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803064 363002883 /nfs/dbraw/zinc/00/28/83/363002883.db2.gz LCPJAEOCHLINDD-SFHVURJKSA-N 2 2 299.418 2.102 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000123607294 187100231 /nfs/dbraw/zinc/10/02/31/187100231.db2.gz PWPQZVQLWYJWND-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000123607294 187100232 /nfs/dbraw/zinc/10/02/32/187100232.db2.gz PWPQZVQLWYJWND-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607294 187100233 /nfs/dbraw/zinc/10/02/33/187100233.db2.gz PWPQZVQLWYJWND-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607294 187100234 /nfs/dbraw/zinc/10/02/34/187100234.db2.gz PWPQZVQLWYJWND-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631063673 351944671 /nfs/dbraw/zinc/94/46/71/351944671.db2.gz DQNTWPCDXNJCFY-UHFFFAOYSA-N 2 2 295.452 2.072 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292200300 198200211 /nfs/dbraw/zinc/20/02/11/198200211.db2.gz SENOEGPTXKQPII-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292200300 198200212 /nfs/dbraw/zinc/20/02/12/198200212.db2.gz SENOEGPTXKQPII-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292200300 198200213 /nfs/dbraw/zinc/20/02/13/198200213.db2.gz SENOEGPTXKQPII-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000292200300 198200214 /nfs/dbraw/zinc/20/02/14/198200214.db2.gz SENOEGPTXKQPII-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694802 539945403 /nfs/dbraw/zinc/94/54/03/539945403.db2.gz FYJVFAYEFDHIKH-HNNXBMFYSA-N 2 2 287.407 2.049 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694802 539945405 /nfs/dbraw/zinc/94/54/05/539945405.db2.gz FYJVFAYEFDHIKH-HNNXBMFYSA-N 2 2 287.407 2.049 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000156636475 188274121 /nfs/dbraw/zinc/27/41/21/188274121.db2.gz GUFOECICUGBZRV-XYPHTWIQSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000156636475 188274122 /nfs/dbraw/zinc/27/41/22/188274122.db2.gz GUFOECICUGBZRV-XYPHTWIQSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636475 188274123 /nfs/dbraw/zinc/27/41/23/188274123.db2.gz GUFOECICUGBZRV-XYPHTWIQSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC[NH+]1C ZINC000156636475 188274125 /nfs/dbraw/zinc/27/41/25/188274125.db2.gz GUFOECICUGBZRV-XYPHTWIQSA-N 2 2 287.407 2.006 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000363383736 283146471 /nfs/dbraw/zinc/14/64/71/283146471.db2.gz ACUUFYTXNJKNAB-MSOLQXFVSA-N 2 2 299.418 2.149 20 30 CEEDLP Fc1ccc(C#CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000156974414 540348844 /nfs/dbraw/zinc/34/88/44/540348844.db2.gz IUCAIQBIQKHTKE-UHFFFAOYSA-N 2 2 295.361 2.394 20 30 CEEDLP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000417393280 237109323 /nfs/dbraw/zinc/10/93/23/237109323.db2.gz CGGFWAHVPUAVON-HDICACEKSA-N 2 2 299.418 2.026 20 30 CEEDLP Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc[nH+]1 ZINC000119340739 365257490 /nfs/dbraw/zinc/25/74/90/365257490.db2.gz QEDTYAVGLBWNBE-UHFFFAOYSA-N 2 2 289.383 2.089 20 30 CEEDLP C#CCSCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000181100803 368421093 /nfs/dbraw/zinc/42/10/93/368421093.db2.gz MXRQWRLEHFLHHR-UHFFFAOYSA-N 2 2 289.448 2.002 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C#N ZINC000191304590 369700415 /nfs/dbraw/zinc/70/04/15/369700415.db2.gz VIUGSEVPWHFUBA-CQSZACIVSA-N 2 2 295.390 2.226 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1C#N ZINC000191304590 369700416 /nfs/dbraw/zinc/70/04/16/369700416.db2.gz VIUGSEVPWHFUBA-CQSZACIVSA-N 2 2 295.390 2.226 20 30 CEEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841433 369908033 /nfs/dbraw/zinc/90/80/33/369908033.db2.gz RGCPWHJMVSDFKF-BETUJISGSA-N 2 2 292.452 2.472 20 30 CEEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841433 369908037 /nfs/dbraw/zinc/90/80/37/369908037.db2.gz RGCPWHJMVSDFKF-BETUJISGSA-N 2 2 292.452 2.472 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353265124 370104591 /nfs/dbraw/zinc/10/45/91/370104591.db2.gz LRDUCUTXWKQXTE-KDOFPFPSSA-N 2 2 299.418 2.246 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335969 370368158 /nfs/dbraw/zinc/36/81/58/370368158.db2.gz HDUMRQZAVCSCCR-DLBZAZTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335969 370368164 /nfs/dbraw/zinc/36/81/64/370368164.db2.gz HDUMRQZAVCSCCR-DLBZAZTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335969 370368167 /nfs/dbraw/zinc/36/81/67/370368167.db2.gz HDUMRQZAVCSCCR-DLBZAZTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]21 ZINC000227335969 370368171 /nfs/dbraw/zinc/36/81/71/370368171.db2.gz HDUMRQZAVCSCCR-DLBZAZTESA-N 2 2 269.392 2.474 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)[N@H+](C)C1CC1 ZINC000359892686 371492419 /nfs/dbraw/zinc/49/24/19/371492419.db2.gz ALTIWGMINPWWBW-LBWNCTQTSA-N 2 2 291.439 2.299 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000359892686 371492423 /nfs/dbraw/zinc/49/24/23/371492423.db2.gz ALTIWGMINPWWBW-LBWNCTQTSA-N 2 2 291.439 2.299 20 30 CEEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000274200121 373839507 /nfs/dbraw/zinc/83/95/07/373839507.db2.gz RKQDUFXUGLWFQN-UHFFFAOYSA-N 2 2 251.333 2.470 20 30 CEEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000274200121 373839512 /nfs/dbraw/zinc/83/95/12/373839512.db2.gz RKQDUFXUGLWFQN-UHFFFAOYSA-N 2 2 251.333 2.470 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920768 374449157 /nfs/dbraw/zinc/44/91/57/374449157.db2.gz GZYKBNCQVIMOIS-OAHLLOKOSA-N 2 2 299.418 2.243 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920768 374449164 /nfs/dbraw/zinc/44/91/64/374449164.db2.gz GZYKBNCQVIMOIS-OAHLLOKOSA-N 2 2 299.418 2.243 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277464510 374529808 /nfs/dbraw/zinc/52/98/08/374529808.db2.gz OIGSKGMFYRGOSR-UHFFFAOYSA-N 2 2 287.411 2.139 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277464510 374529814 /nfs/dbraw/zinc/52/98/14/374529814.db2.gz OIGSKGMFYRGOSR-UHFFFAOYSA-N 2 2 287.411 2.139 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527165 376820905 /nfs/dbraw/zinc/82/09/05/376820905.db2.gz QJBBPWMKJJKXBE-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C#N)s1 ZINC000290527165 376820910 /nfs/dbraw/zinc/82/09/10/376820910.db2.gz QJBBPWMKJJKXBE-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC000290527165 376820918 /nfs/dbraw/zinc/82/09/18/376820918.db2.gz QJBBPWMKJJKXBE-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290527165 376820921 /nfs/dbraw/zinc/82/09/21/376820921.db2.gz QJBBPWMKJJKXBE-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422989178 376909490 /nfs/dbraw/zinc/90/94/90/376909490.db2.gz KQKAGVHGIIRXSV-BBRMVZONSA-N 2 2 273.380 2.057 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000264950945 190147077 /nfs/dbraw/zinc/14/70/77/190147077.db2.gz KRRTUPGCVJJWEK-CQSZACIVSA-N 2 2 269.348 2.073 20 30 CEEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(C#N)CC1 ZINC000429247273 377510828 /nfs/dbraw/zinc/51/08/28/377510828.db2.gz QVSVIJJROZFZSZ-UHFFFAOYSA-N 2 2 260.385 2.461 20 30 CEEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(C#N)CC1 ZINC000429247273 377510834 /nfs/dbraw/zinc/51/08/34/377510834.db2.gz QVSVIJJROZFZSZ-UHFFFAOYSA-N 2 2 260.385 2.461 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000333067177 377752630 /nfs/dbraw/zinc/75/26/30/377752630.db2.gz JNVJSNAGYWCIMW-CHWSQXEVSA-N 2 2 258.369 2.044 20 30 CEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398492 378212779 /nfs/dbraw/zinc/21/27/79/378212779.db2.gz VFKWRVWRNQVGIP-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398492 378212786 /nfs/dbraw/zinc/21/27/86/378212786.db2.gz VFKWRVWRNQVGIP-GJZGRUSLSA-N 2 2 254.418 2.168 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289417061 197338243 /nfs/dbraw/zinc/33/82/43/197338243.db2.gz IPXCGVWJAZUVQG-UHFFFAOYSA-N 2 2 251.399 2.393 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289417061 197338244 /nfs/dbraw/zinc/33/82/44/197338244.db2.gz IPXCGVWJAZUVQG-UHFFFAOYSA-N 2 2 251.399 2.393 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261725797 394606636 /nfs/dbraw/zinc/60/66/36/394606636.db2.gz GROZNFFBMGNXOS-NEPJUHHUSA-N 2 2 294.468 2.198 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000261725797 394606640 /nfs/dbraw/zinc/60/66/40/394606640.db2.gz GROZNFFBMGNXOS-NEPJUHHUSA-N 2 2 294.468 2.198 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000104155319 394718824 /nfs/dbraw/zinc/71/88/24/394718824.db2.gz CNNPHRSBGNDWFW-CQSZACIVSA-N 2 2 280.391 2.085 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000423360453 394900175 /nfs/dbraw/zinc/90/01/75/394900175.db2.gz LLRCZWGPQOBQQA-JRPNMDOOSA-N 2 2 261.344 2.346 20 30 CEEDLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)cc1F ZINC000423543807 394948573 /nfs/dbraw/zinc/94/85/73/394948573.db2.gz CEBMPLNRKJJASY-NSHDSACASA-N 2 2 261.344 2.490 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987791 394999774 /nfs/dbraw/zinc/99/97/74/394999774.db2.gz UJXJPQWECWHXIS-BFYDXBDKSA-N 3 2 279.472 2.345 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000152987791 394999777 /nfs/dbraw/zinc/99/97/77/394999777.db2.gz UJXJPQWECWHXIS-BFYDXBDKSA-N 3 2 279.472 2.345 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000352921051 395276880 /nfs/dbraw/zinc/27/68/80/395276880.db2.gz FFHKKPKLDDEIKA-CZUORRHYSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000352921051 395276882 /nfs/dbraw/zinc/27/68/82/395276882.db2.gz FFHKKPKLDDEIKA-CZUORRHYSA-N 2 2 260.381 2.291 20 30 CEEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442707061 395390895 /nfs/dbraw/zinc/39/08/95/395390895.db2.gz FPHQOXXIOBLNHH-ZACQAIPSSA-N 2 2 271.408 2.441 20 30 CEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411427578 395328266 /nfs/dbraw/zinc/32/82/66/395328266.db2.gz OCZAGJLZHOPSTF-ZIAGYGMSSA-N 2 2 260.385 2.367 20 30 CEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411427578 395328272 /nfs/dbraw/zinc/32/82/72/395328272.db2.gz OCZAGJLZHOPSTF-ZIAGYGMSSA-N 2 2 260.385 2.367 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413976 395520362 /nfs/dbraw/zinc/52/03/62/395520362.db2.gz KFDQZVAQLNPQLJ-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000566413976 395520363 /nfs/dbraw/zinc/52/03/63/395520363.db2.gz KFDQZVAQLNPQLJ-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000566413976 395520364 /nfs/dbraw/zinc/52/03/64/395520364.db2.gz KFDQZVAQLNPQLJ-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000566413976 395520365 /nfs/dbraw/zinc/52/03/65/395520365.db2.gz KFDQZVAQLNPQLJ-YJBOKZPZSA-N 2 2 296.418 2.402 20 30 CEEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000573068623 395599384 /nfs/dbraw/zinc/59/93/84/395599384.db2.gz WXXJMJMGLZEOHX-KBPBESRZSA-N 2 2 262.401 2.140 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000572270595 395586128 /nfs/dbraw/zinc/58/61/28/395586128.db2.gz GMBSYRFKLCEFKB-MRXNPFEDSA-N 2 2 296.418 2.468 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000572270595 395586131 /nfs/dbraw/zinc/58/61/31/395586131.db2.gz GMBSYRFKLCEFKB-MRXNPFEDSA-N 2 2 296.418 2.468 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCF)CC2)cc1 ZINC000182028194 165361547 /nfs/dbraw/zinc/36/15/47/165361547.db2.gz ZHTQKXOYKXGFEV-UHFFFAOYSA-N 2 2 275.371 2.472 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000575134307 335070922 /nfs/dbraw/zinc/07/09/22/335070922.db2.gz WSOJXSSQVXXKLH-UHFFFAOYSA-N 2 2 283.379 2.164 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000575134307 335070924 /nfs/dbraw/zinc/07/09/24/335070924.db2.gz WSOJXSSQVXXKLH-UHFFFAOYSA-N 2 2 283.379 2.164 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672862 174371325 /nfs/dbraw/zinc/37/13/25/174371325.db2.gz GBSISCWVGFQLBZ-HIFRSBDPSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672862 174371326 /nfs/dbraw/zinc/37/13/26/174371326.db2.gz GBSISCWVGFQLBZ-HIFRSBDPSA-N 2 2 273.380 2.334 20 30 CEEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)nn1 ZINC000657294297 414840816 /nfs/dbraw/zinc/84/08/16/414840816.db2.gz MBHNOSIVJBAUDC-UHFFFAOYSA-N 2 2 291.443 2.066 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657354019 414880230 /nfs/dbraw/zinc/88/02/30/414880230.db2.gz YAHVTYLYGVBRPT-UHFFFAOYSA-N 2 2 288.439 2.423 20 30 CEEDLP C=CCC1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCCC1 ZINC000657702960 415056170 /nfs/dbraw/zinc/05/61/70/415056170.db2.gz RNZVYMSIWDXXKS-UHFFFAOYSA-N 2 2 262.401 2.465 20 30 CEEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665230413 415632607 /nfs/dbraw/zinc/63/26/07/415632607.db2.gz OGFSNUKSEGJRDR-WCVJEAGWSA-N 2 2 266.429 2.478 20 30 CEEDLP C=CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccco1 ZINC000665292705 415679617 /nfs/dbraw/zinc/67/96/17/415679617.db2.gz HWZFOVVJZJOYPP-GFCCVEGCSA-N 2 2 288.351 2.031 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000192654435 262207120 /nfs/dbraw/zinc/20/71/20/262207120.db2.gz AHEPBTJTFNSTHQ-ZFWWWQNUSA-N 2 2 281.363 2.439 20 30 CEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000278503796 263048486 /nfs/dbraw/zinc/04/84/86/263048486.db2.gz APWGJYSMYMTRIC-KBUPBQIOSA-N 2 2 258.369 2.458 20 30 CEEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000278503796 263048487 /nfs/dbraw/zinc/04/84/87/263048487.db2.gz APWGJYSMYMTRIC-KBUPBQIOSA-N 2 2 258.369 2.458 20 30 CEEDLP N#CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278753916 263050705 /nfs/dbraw/zinc/05/07/05/263050705.db2.gz BANYOZHGVUQEEQ-UHFFFAOYSA-N 2 2 258.369 2.312 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000414943471 263152792 /nfs/dbraw/zinc/15/27/92/263152792.db2.gz LXDSCNMLUHMDPP-KRWDZBQOSA-N 2 2 290.407 2.110 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340514053 263182840 /nfs/dbraw/zinc/18/28/40/263182840.db2.gz XQAKKCMZWGDWRZ-QAPCUYQASA-N 2 2 288.435 2.350 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340514053 263182842 /nfs/dbraw/zinc/18/28/42/263182842.db2.gz XQAKKCMZWGDWRZ-QAPCUYQASA-N 2 2 288.435 2.350 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423131206 267195779 /nfs/dbraw/zinc/19/57/79/267195779.db2.gz ZSZVGTXWDSYNIT-CABCVRRESA-N 2 2 273.380 2.187 20 30 CEEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329574643 295384899 /nfs/dbraw/zinc/38/48/99/295384899.db2.gz NVPRIENCBXFVLP-IUODEOHRSA-N 2 2 288.395 2.098 20 30 CEEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+]1CCCCC1 ZINC000562986965 327735622 /nfs/dbraw/zinc/73/56/22/327735622.db2.gz FEUBTPWUOVCQRE-CABCVRRESA-N 2 2 262.401 2.142 20 30 CEEDLP C=CCC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861930 328365571 /nfs/dbraw/zinc/36/55/71/328365571.db2.gz YNLAIRNSYMRBST-OAHLLOKOSA-N 2 2 275.396 2.285 20 30 CEEDLP CCc1[nH+]c2cc(CNC3=[NH+]C[C@@H](C)N3)ccc2n1C1CC1 ZINC000262682541 330026763 /nfs/dbraw/zinc/02/67/63/330026763.db2.gz WWYASXFEYYHMKL-LLVKDONJSA-N 2 2 297.406 2.371 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422909390 330159649 /nfs/dbraw/zinc/15/96/49/330159649.db2.gz NXZBQQDBURHMET-GOEBONIOSA-N 2 2 290.407 2.108 20 30 CEEDLP C=C(C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423032515 330166376 /nfs/dbraw/zinc/16/63/76/330166376.db2.gz WBDVTWRPGMGILK-GOEBONIOSA-N 2 2 260.381 2.056 20 30 CEEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506488 330208795 /nfs/dbraw/zinc/20/87/95/330208795.db2.gz HUVGGQJSEJLODK-PQEBFOHHSA-N 2 2 269.392 2.414 20 30 CEEDLP C=CCCCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000566474390 334651234 /nfs/dbraw/zinc/65/12/34/334651234.db2.gz HEXVUGNYMYLODY-UHFFFAOYSA-N 2 2 250.390 2.322 20 30 CEEDLP CC#CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000576865819 335257357 /nfs/dbraw/zinc/25/73/57/335257357.db2.gz PKCYBIZOFWMNHJ-HNNXBMFYSA-N 2 2 285.391 2.017 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@H](C)O)C(C)C ZINC000577502876 335360711 /nfs/dbraw/zinc/36/07/11/335360711.db2.gz IASSPXGCHDPYPD-QLFBSQMISA-N 2 2 254.418 2.044 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353678172 526875609 /nfs/dbraw/zinc/87/56/09/526875609.db2.gz ZWTJKDOIZZNUOU-WBVHZDCISA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353678172 526875610 /nfs/dbraw/zinc/87/56/10/526875610.db2.gz ZWTJKDOIZZNUOU-WBVHZDCISA-N 2 2 272.392 2.435 20 30 CEEDLP C=C(Cl)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000752634250 575313064 /nfs/dbraw/zinc/31/30/64/575313064.db2.gz DXGGEVZPENCSLG-UHFFFAOYSA-N 2 2 286.726 2.375 20 30 CEEDLP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469224 624516076 /nfs/dbraw/zinc/51/60/76/624516076.db2.gz REJMSICNKWEQAK-QZTJIDSGSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469224 624516078 /nfs/dbraw/zinc/51/60/78/624516078.db2.gz REJMSICNKWEQAK-QZTJIDSGSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000934469224 624516080 /nfs/dbraw/zinc/51/60/80/624516080.db2.gz REJMSICNKWEQAK-QZTJIDSGSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000934469224 624516082 /nfs/dbraw/zinc/51/60/82/624516082.db2.gz REJMSICNKWEQAK-QZTJIDSGSA-N 2 2 286.419 2.056 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000328134574 627858651 /nfs/dbraw/zinc/85/86/51/627858651.db2.gz XQTZVONNRXFLCB-UHFFFAOYSA-N 2 2 256.349 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000328134574 627858656 /nfs/dbraw/zinc/85/86/56/627858656.db2.gz XQTZVONNRXFLCB-UHFFFAOYSA-N 2 2 256.349 2.478 20 30 CEEDLP CC(C)C(N)=[NH+]OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000189353866 628311231 /nfs/dbraw/zinc/31/12/31/628311231.db2.gz BSLQPVOAGQOZKC-UHFFFAOYSA-N 2 2 267.348 2.202 20 30 CEEDLP CC(C)C(N)=[NH+]OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000189353866 628311236 /nfs/dbraw/zinc/31/12/36/628311236.db2.gz BSLQPVOAGQOZKC-UHFFFAOYSA-N 2 2 267.348 2.202 20 30 CEEDLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000902443822 634661384 /nfs/dbraw/zinc/66/13/84/634661384.db2.gz FAUWXAZAZQAQNZ-VIFPVBQESA-N 2 2 287.392 2.028 20 30 CEEDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902728943 634798098 /nfs/dbraw/zinc/79/80/98/634798098.db2.gz CPYVVBSMPBMMBQ-CQSZACIVSA-N 2 2 272.396 2.480 20 30 CEEDLP C[N@H+](CCCC/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000840708715 630794491 /nfs/dbraw/zinc/79/44/91/630794491.db2.gz DFDVRLGFQGOMIU-LFIBNONCSA-N 2 2 262.353 2.391 20 30 CEEDLP C[N@@H+](CCCC/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000840708715 630794493 /nfs/dbraw/zinc/79/44/93/630794493.db2.gz DFDVRLGFQGOMIU-LFIBNONCSA-N 2 2 262.353 2.391 20 30 CEEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000925214888 631176996 /nfs/dbraw/zinc/17/69/96/631176996.db2.gz NQKJVDIHRPBMAU-OCCSQVGLSA-N 2 2 269.458 2.342 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000986279441 631224666 /nfs/dbraw/zinc/22/46/66/631224666.db2.gz KNQDUYDOBHNJFA-ZFWWWQNUSA-N 2 2 298.390 2.021 20 30 CEEDLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000817915250 633775027 /nfs/dbraw/zinc/77/50/27/633775027.db2.gz JUKBTGSAUIMKDZ-DOMZBBRYSA-N 2 2 273.380 2.187 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000817967979 633812183 /nfs/dbraw/zinc/81/21/83/633812183.db2.gz DMZPHUAXAWIYPH-HEHGZKQESA-N 2 2 273.380 2.238 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000819024375 634043750 /nfs/dbraw/zinc/04/37/50/634043750.db2.gz OWEVXNJOJOEDLG-MRXNPFEDSA-N 2 2 296.361 2.238 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000903452623 635135630 /nfs/dbraw/zinc/13/56/30/635135630.db2.gz OMOLISLYQSZBPE-MRXNPFEDSA-N 2 2 257.381 2.344 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000903452623 635135635 /nfs/dbraw/zinc/13/56/35/635135635.db2.gz OMOLISLYQSZBPE-MRXNPFEDSA-N 2 2 257.381 2.344 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903799922 635276921 /nfs/dbraw/zinc/27/69/21/635276921.db2.gz FPAYINDIAOHMTM-CVEARBPZSA-N 2 2 255.365 2.262 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903799922 635276923 /nfs/dbraw/zinc/27/69/23/635276923.db2.gz FPAYINDIAOHMTM-CVEARBPZSA-N 2 2 255.365 2.262 20 30 CEEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C#N)n1 ZINC000876957122 650505195 /nfs/dbraw/zinc/50/51/95/650505195.db2.gz UWAOEVSWLKLVLD-HNNXBMFYSA-N 2 2 283.379 2.354 20 30 CEEDLP C#CC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000843427033 640426766 /nfs/dbraw/zinc/42/67/66/640426766.db2.gz RPQQBBMRMFBFKW-UHFFFAOYSA-N 2 2 263.410 2.050 20 30 CEEDLP Cc1cc(C#N)ccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000846751889 641411606 /nfs/dbraw/zinc/41/16/06/641411606.db2.gz PQPOQIOBKAKKKL-UHFFFAOYSA-N 2 2 286.423 2.305 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000849032540 642244543 /nfs/dbraw/zinc/24/45/43/642244543.db2.gz LEFFXVXWLTWCMA-AWEZNQCLSA-N 2 2 292.452 2.311 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc(OC)c2)CC1 ZINC000850122937 642586557 /nfs/dbraw/zinc/58/65/57/642586557.db2.gz IAFMOEPLJDYLAT-UHFFFAOYSA-N 2 2 275.396 2.220 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000863544685 646753020 /nfs/dbraw/zinc/75/30/20/646753020.db2.gz BIMFEJSSUAQOOY-IJEWVQPXSA-N 2 2 272.392 2.490 20 30 CEEDLP C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000871787330 649185231 /nfs/dbraw/zinc/18/52/31/649185231.db2.gz VHHLRWQEMLKVHX-RKDXNWHRSA-N 2 2 258.753 2.258 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872072228 649263012 /nfs/dbraw/zinc/26/30/12/649263012.db2.gz FIYVQXWAFHQOQB-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872072228 649263015 /nfs/dbraw/zinc/26/30/15/649263015.db2.gz FIYVQXWAFHQOQB-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C#N ZINC000879578811 651325960 /nfs/dbraw/zinc/32/59/60/651325960.db2.gz HFEZSKKVRXRALD-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N ZINC000879578811 651325961 /nfs/dbraw/zinc/32/59/61/651325961.db2.gz HFEZSKKVRXRALD-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C#N ZINC000879578811 651325962 /nfs/dbraw/zinc/32/59/62/651325962.db2.gz HFEZSKKVRXRALD-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C#N ZINC000879578811 651325963 /nfs/dbraw/zinc/32/59/63/651325963.db2.gz HFEZSKKVRXRALD-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118889 815306692 /nfs/dbraw/zinc/30/66/92/815306692.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118889 815306699 /nfs/dbraw/zinc/30/66/99/815306699.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118889 815306708 /nfs/dbraw/zinc/30/67/08/815306708.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118889 815306714 /nfs/dbraw/zinc/30/67/14/815306714.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118889 815306721 /nfs/dbraw/zinc/30/67/21/815306721.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118889 815306728 /nfs/dbraw/zinc/30/67/28/815306728.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118889 815306734 /nfs/dbraw/zinc/30/67/34/815306734.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001172118889 815306740 /nfs/dbraw/zinc/30/67/40/815306740.db2.gz RCNPMPFJIGOJCP-YJNKXOJESA-N 2 2 292.448 2.276 20 30 CEEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001034694065 809668592 /nfs/dbraw/zinc/66/85/92/809668592.db2.gz JTTXALMRXHLFLI-WKILWMFISA-N 2 2 299.418 2.271 20 30 CEEDLP COCC[N@H+]([C@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172507216 815457324 /nfs/dbraw/zinc/45/73/24/815457324.db2.gz QQMFUXVDAUWAAL-CQSZACIVSA-N 2 2 267.417 2.111 20 30 CEEDLP COCC[N@@H+]([C@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172507216 815457328 /nfs/dbraw/zinc/45/73/28/815457328.db2.gz QQMFUXVDAUWAAL-CQSZACIVSA-N 2 2 267.417 2.111 20 30 CEEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315068 811734026 /nfs/dbraw/zinc/73/40/26/811734026.db2.gz RAQLGGOVOMNTLS-QGZVFWFLSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046315068 811734031 /nfs/dbraw/zinc/73/40/31/811734031.db2.gz RAQLGGOVOMNTLS-QGZVFWFLSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336412 812357135 /nfs/dbraw/zinc/35/71/35/812357135.db2.gz HPJMAIZWHKUZKU-XPKDYRNWSA-N 2 2 296.374 2.084 20 30 CEEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336412 812357145 /nfs/dbraw/zinc/35/71/45/812357145.db2.gz HPJMAIZWHKUZKU-XPKDYRNWSA-N 2 2 296.374 2.084 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548242 813286180 /nfs/dbraw/zinc/28/61/80/813286180.db2.gz FSRDDLHMCOYEQP-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548242 813286183 /nfs/dbraw/zinc/28/61/83/813286183.db2.gz FSRDDLHMCOYEQP-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135916 813373606 /nfs/dbraw/zinc/37/36/06/813373606.db2.gz DBNCEERCJWAKTC-LSDHHAIUSA-N 2 2 292.427 2.112 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031770 813589810 /nfs/dbraw/zinc/58/98/10/813589810.db2.gz PUDNCQKAIVBBMH-CHWSQXEVSA-N 2 2 292.427 2.100 20 30 CEEDLP CCCCCCC[C@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246091751 813680115 /nfs/dbraw/zinc/68/01/15/813680115.db2.gz AAGSBZBJOKHWDU-AWEZNQCLSA-N 2 2 256.434 2.440 20 30 CEEDLP Cc1[nH+]cn([C@@H](C)Cc2cccc(C#N)c2)c1CC[NH3+] ZINC001171181209 814068046 /nfs/dbraw/zinc/06/80/46/814068046.db2.gz HXIPWNOAPHMKRO-LBPRGKRZSA-N 2 2 268.364 2.368 20 30 CEEDLP C=C(C)C[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001091098453 814071015 /nfs/dbraw/zinc/07/10/15/814071015.db2.gz SGWYZGYVRQTOEI-UHFFFAOYSA-N 2 2 298.390 2.237 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872411 816301193 /nfs/dbraw/zinc/30/11/93/816301193.db2.gz HLKFWNSKDNPBBR-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP CCC#C[C@H](C)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105284 816349393 /nfs/dbraw/zinc/34/93/93/816349393.db2.gz IVHDHAMWMKUASF-AWEZNQCLSA-N 2 2 264.413 2.021 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333113 346822967 /nfs/dbraw/zinc/82/29/67/346822967.db2.gz AJOKGJJFOFZTEI-ZBFHGGJFSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333113 346822970 /nfs/dbraw/zinc/82/29/70/346822970.db2.gz AJOKGJJFOFZTEI-ZBFHGGJFSA-N 2 2 255.365 2.132 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996574 361880176 /nfs/dbraw/zinc/88/01/76/361880176.db2.gz OATLZACSWJMGIV-HZPDHXFCSA-N 2 2 255.365 2.275 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996574 361880178 /nfs/dbraw/zinc/88/01/78/361880178.db2.gz OATLZACSWJMGIV-HZPDHXFCSA-N 2 2 255.365 2.275 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)C1CC1 ZINC000090047215 344134260 /nfs/dbraw/zinc/13/42/60/344134260.db2.gz URLHDRUNXQBGKA-GDBMZVCRSA-N 2 2 266.429 2.432 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000589504409 345085433 /nfs/dbraw/zinc/08/54/33/345085433.db2.gz UJJQGVMORILMEE-BETUJISGSA-N 2 2 295.308 2.228 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000589504409 345085434 /nfs/dbraw/zinc/08/54/34/345085434.db2.gz UJJQGVMORILMEE-BETUJISGSA-N 2 2 295.308 2.228 20 30 CEEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000594438982 345631090 /nfs/dbraw/zinc/63/10/90/345631090.db2.gz RWGPQUHYDVIBJT-CQSZACIVSA-N 2 2 297.362 2.426 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000594955670 345715775 /nfs/dbraw/zinc/71/57/75/345715775.db2.gz ROSHVXIQHIQXCR-CJNGLKHVSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000594955670 345715776 /nfs/dbraw/zinc/71/57/76/345715776.db2.gz ROSHVXIQHIQXCR-CJNGLKHVSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@]1(C#N)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000595843097 345896539 /nfs/dbraw/zinc/89/65/39/345896539.db2.gz YPSRMBGZUTVYLQ-GOSISDBHSA-N 2 2 299.418 2.254 20 30 CEEDLP C[C@]1(C#N)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000595843097 345896541 /nfs/dbraw/zinc/89/65/41/345896541.db2.gz YPSRMBGZUTVYLQ-GOSISDBHSA-N 2 2 299.418 2.254 20 30 CEEDLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1 ZINC000596652827 346071995 /nfs/dbraw/zinc/07/19/95/346071995.db2.gz ILRPKQFSIHDRLG-OGVSOVDVSA-N 2 2 255.365 2.351 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000598680021 346399229 /nfs/dbraw/zinc/39/92/29/346399229.db2.gz QNBIEQSHHCORSB-INIZCTEOSA-N 2 2 255.365 2.134 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000598680021 346399231 /nfs/dbraw/zinc/39/92/31/346399231.db2.gz QNBIEQSHHCORSB-INIZCTEOSA-N 2 2 255.365 2.134 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000598722757 346408794 /nfs/dbraw/zinc/40/87/94/346408794.db2.gz AHXSVRVPCIYUCC-HNNXBMFYSA-N 2 2 298.390 2.263 20 30 CEEDLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1C#N ZINC000600706358 346674087 /nfs/dbraw/zinc/67/40/87/346674087.db2.gz VFOXEOFTOAOQBI-XJKSGUPXSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1C#N ZINC000600706358 346674089 /nfs/dbraw/zinc/67/40/89/346674089.db2.gz VFOXEOFTOAOQBI-XJKSGUPXSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C#N ZINC000600709564 346674956 /nfs/dbraw/zinc/67/49/56/346674956.db2.gz LAVLDXQQHBJHGG-CVEARBPZSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C#N ZINC000600709564 346674959 /nfs/dbraw/zinc/67/49/59/346674959.db2.gz LAVLDXQQHBJHGG-CVEARBPZSA-N 2 2 255.365 2.180 20 30 CEEDLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[NH2+]1 ZINC000600712154 346676048 /nfs/dbraw/zinc/67/60/48/346676048.db2.gz XBUCHCPFZYNKCU-WPGHFRTFSA-N 2 2 255.365 2.276 20 30 CEEDLP C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000602794334 347200689 /nfs/dbraw/zinc/20/06/89/347200689.db2.gz ACQSENQYVWUSAW-KBPBESRZSA-N 2 2 258.369 2.460 20 30 CEEDLP Cc1cc(C)c(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)[nH+]1 ZINC000602852100 347225441 /nfs/dbraw/zinc/22/54/41/347225441.db2.gz ZWLPWPMETRVOFX-HUUCEWRRSA-N 2 2 286.423 2.425 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662761 180219827 /nfs/dbraw/zinc/21/98/27/180219827.db2.gz KUYLOCNOJVIVAB-XKQJLSEDSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662761 180219829 /nfs/dbraw/zinc/21/98/29/180219829.db2.gz KUYLOCNOJVIVAB-XKQJLSEDSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674243 212394085 /nfs/dbraw/zinc/39/40/85/212394085.db2.gz YUWTZFVHCRKWSS-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674243 212394087 /nfs/dbraw/zinc/39/40/87/212394087.db2.gz YUWTZFVHCRKWSS-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C#N)cs1 ZINC000335674243 212394089 /nfs/dbraw/zinc/39/40/89/212394089.db2.gz YUWTZFVHCRKWSS-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000335674243 212394091 /nfs/dbraw/zinc/39/40/91/212394091.db2.gz YUWTZFVHCRKWSS-BXUZGUMPSA-N 2 2 263.410 2.392 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629393780 351348226 /nfs/dbraw/zinc/34/82/26/351348226.db2.gz BWXCWCHWECGOLN-ZFWWWQNUSA-N 2 2 260.381 2.482 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000124290956 187130679 /nfs/dbraw/zinc/13/06/79/187130679.db2.gz OUHYGIPEOHPFGU-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000124290956 187130680 /nfs/dbraw/zinc/13/06/80/187130680.db2.gz OUHYGIPEOHPFGU-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631065192 351946091 /nfs/dbraw/zinc/94/60/91/351946091.db2.gz RIGSWSYEAYZVON-UHFFFAOYSA-N 2 2 288.439 2.423 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000118843370 365184463 /nfs/dbraw/zinc/18/44/63/365184463.db2.gz MTTWHMFKROXVRK-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000118843370 365184467 /nfs/dbraw/zinc/18/44/67/365184467.db2.gz MTTWHMFKROXVRK-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843370 365184476 /nfs/dbraw/zinc/18/44/76/365184476.db2.gz MTTWHMFKROXVRK-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843370 365184485 /nfs/dbraw/zinc/18/44/85/365184485.db2.gz MTTWHMFKROXVRK-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245417341 370816346 /nfs/dbraw/zinc/81/63/46/370816346.db2.gz FYWXRQGDQNVUFS-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245417341 370816355 /nfs/dbraw/zinc/81/63/55/370816355.db2.gz FYWXRQGDQNVUFS-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245417341 370816358 /nfs/dbraw/zinc/81/63/58/370816358.db2.gz FYWXRQGDQNVUFS-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245417341 370816361 /nfs/dbraw/zinc/81/63/61/370816361.db2.gz FYWXRQGDQNVUFS-HOTGVXAUSA-N 2 2 295.471 2.073 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000119986099 365355701 /nfs/dbraw/zinc/35/57/01/365355701.db2.gz LMJDBNCLDPZJFL-AWEZNQCLSA-N 2 2 292.452 2.321 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000119986099 365355705 /nfs/dbraw/zinc/35/57/05/365355705.db2.gz LMJDBNCLDPZJFL-AWEZNQCLSA-N 2 2 292.452 2.321 20 30 CEEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000159782359 366947538 /nfs/dbraw/zinc/94/75/38/366947538.db2.gz MRVRTKKSOOLDBJ-UHFFFAOYSA-N 2 2 266.348 2.443 20 30 CEEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000159782359 366947529 /nfs/dbraw/zinc/94/75/29/366947529.db2.gz MRVRTKKSOOLDBJ-UHFFFAOYSA-N 2 2 266.348 2.443 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128413 /nfs/dbraw/zinc/12/84/13/367128413.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128419 /nfs/dbraw/zinc/12/84/19/367128419.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128422 /nfs/dbraw/zinc/12/84/22/367128422.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128426 /nfs/dbraw/zinc/12/84/26/367128426.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 2 272.396 2.258 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+](CCCSCC#N)CC1 ZINC000342770218 367524474 /nfs/dbraw/zinc/52/44/74/367524474.db2.gz SQMLWJUEPBEWHV-UHFFFAOYSA-N 2 2 290.436 2.159 20 30 CEEDLP C[C@H]1CC[N@H+](CCCSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246335011 370948133 /nfs/dbraw/zinc/94/81/33/370948133.db2.gz TXTCJIAOXDORRU-UONOGXRCSA-N 2 2 278.425 2.413 20 30 CEEDLP C[C@H]1CC[N@@H+](CCCSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000246335011 370948138 /nfs/dbraw/zinc/94/81/38/370948138.db2.gz TXTCJIAOXDORRU-UONOGXRCSA-N 2 2 278.425 2.413 20 30 CEEDLP C=CC[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639068531 370943814 /nfs/dbraw/zinc/94/38/14/370943814.db2.gz XBWRCCYQEAAWPR-UHFFFAOYSA-N 2 2 290.407 2.015 20 30 CEEDLP C=CC[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639068531 370943818 /nfs/dbraw/zinc/94/38/18/370943818.db2.gz XBWRCCYQEAAWPR-UHFFFAOYSA-N 2 2 290.407 2.015 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415427 369710709 /nfs/dbraw/zinc/71/07/09/369710709.db2.gz LQVPOGBKTPJJKU-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415427 369710717 /nfs/dbraw/zinc/71/07/17/369710717.db2.gz LQVPOGBKTPJJKU-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415427 369710722 /nfs/dbraw/zinc/71/07/22/369710722.db2.gz LQVPOGBKTPJJKU-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415427 369710729 /nfs/dbraw/zinc/71/07/29/369710729.db2.gz LQVPOGBKTPJJKU-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000352836344 369903472 /nfs/dbraw/zinc/90/34/72/369903472.db2.gz KHVFRJXLIYPVQA-NSHDSACASA-N 2 2 287.392 2.187 20 30 CEEDLP C[N@H+]1C[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193653441 369968208 /nfs/dbraw/zinc/96/82/08/369968208.db2.gz SDFZBVGHDNJSJN-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[N@@H+]1C[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193653441 369968211 /nfs/dbraw/zinc/96/82/11/369968211.db2.gz SDFZBVGHDNJSJN-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[NH+]1C[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193653441 369968213 /nfs/dbraw/zinc/96/82/13/369968213.db2.gz SDFZBVGHDNJSJN-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP C[NH+]1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193653441 369968216 /nfs/dbraw/zinc/96/82/16/369968216.db2.gz SDFZBVGHDNJSJN-GASCZTMLSA-N 2 2 274.795 2.185 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264073872 371962583 /nfs/dbraw/zinc/96/25/83/371962583.db2.gz GRCWDSGCAVBVFN-AWEZNQCLSA-N 2 2 280.391 2.133 20 30 CEEDLP CCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000264116378 371972442 /nfs/dbraw/zinc/97/24/42/371972442.db2.gz SRUVBJIFODCGLL-LBPRGKRZSA-N 2 2 268.430 2.055 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685667 373614034 /nfs/dbraw/zinc/61/40/34/373614034.db2.gz WFWSAPJQEFVEDN-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685667 373614039 /nfs/dbraw/zinc/61/40/39/373614039.db2.gz WFWSAPJQEFVEDN-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685667 373614042 /nfs/dbraw/zinc/61/40/42/373614042.db2.gz WFWSAPJQEFVEDN-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000272685667 373614045 /nfs/dbraw/zinc/61/40/45/373614045.db2.gz WFWSAPJQEFVEDN-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1C#N ZINC000371292700 373835014 /nfs/dbraw/zinc/83/50/14/373835014.db2.gz DCWRWGUUZQZHNL-KURKYZTESA-N 2 2 299.418 2.242 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C#N ZINC000371292700 373835022 /nfs/dbraw/zinc/83/50/22/373835022.db2.gz DCWRWGUUZQZHNL-KURKYZTESA-N 2 2 299.418 2.242 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)s1 ZINC000372325615 374098880 /nfs/dbraw/zinc/09/88/80/374098880.db2.gz LNAYBAKPVGDWAS-AVGNSLFASA-N 2 2 291.420 2.134 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)s1 ZINC000372325615 374098886 /nfs/dbraw/zinc/09/88/86/374098886.db2.gz LNAYBAKPVGDWAS-AVGNSLFASA-N 2 2 291.420 2.134 20 30 CEEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000275647834 374217562 /nfs/dbraw/zinc/21/75/62/374217562.db2.gz VVCVOWPJXGFDPG-UHFFFAOYSA-N 2 2 295.386 2.389 20 30 CEEDLP C#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000278830703 374837425 /nfs/dbraw/zinc/83/74/25/374837425.db2.gz COITZANERWTWFN-UHFFFAOYSA-N 2 2 292.386 2.089 20 30 CEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)[nH+]c2)C1 ZINC000562463468 376902335 /nfs/dbraw/zinc/90/23/35/376902335.db2.gz OEXHBJBIFXOCEF-IJEWVQPXSA-N 2 2 299.422 2.326 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000295060085 378038443 /nfs/dbraw/zinc/03/84/43/378038443.db2.gz RBULXFVRJXQALM-SFHVURJKSA-N 2 2 296.418 2.054 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000295060085 378038446 /nfs/dbraw/zinc/03/84/46/378038446.db2.gz RBULXFVRJXQALM-SFHVURJKSA-N 2 2 296.418 2.054 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385630 378207838 /nfs/dbraw/zinc/20/78/38/378207838.db2.gz GMEPTNNHSRFNQD-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385630 378207842 /nfs/dbraw/zinc/20/78/42/378207842.db2.gz GMEPTNNHSRFNQD-SOUVJXGZSA-N 2 2 254.418 2.024 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449521239 378215109 /nfs/dbraw/zinc/21/51/09/378215109.db2.gz RIPIOPAQRXGXNV-KGLIPLIRSA-N 2 2 275.377 2.367 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000267848659 190358730 /nfs/dbraw/zinc/35/87/30/190358730.db2.gz DUPCNIPRFRDLCA-HNNXBMFYSA-N 2 2 290.411 2.147 20 30 CEEDLP C=CCCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000488132333 380092663 /nfs/dbraw/zinc/09/26/63/380092663.db2.gz UGYQNEBDHTXYQX-UHFFFAOYSA-N 2 2 262.401 2.289 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268111978 190377566 /nfs/dbraw/zinc/37/75/66/190377566.db2.gz IUESYVXAVDHMTH-RHSMWYFYSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268111978 190377567 /nfs/dbraw/zinc/37/75/67/190377567.db2.gz IUESYVXAVDHMTH-RHSMWYFYSA-N 2 2 284.403 2.271 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCF)CC2)cc1 ZINC000280970981 195051799 /nfs/dbraw/zinc/05/17/99/195051799.db2.gz IKZQYAHQWOJAAN-UHFFFAOYSA-N 2 2 261.344 2.082 20 30 CEEDLP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000104152600 394717747 /nfs/dbraw/zinc/71/77/47/394717747.db2.gz DBCDKBBGVJSGJF-AWEZNQCLSA-N 2 2 279.432 2.392 20 30 CEEDLP C=C1CC[NH+](CC2(C[NH+]3CCC(=C)CC3)COC2)CC1 ZINC000360028985 394784764 /nfs/dbraw/zinc/78/47/64/394784764.db2.gz YTNPEGYZZJDFNN-UHFFFAOYSA-N 2 2 276.424 2.307 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000282397022 394919340 /nfs/dbraw/zinc/91/93/40/394919340.db2.gz XSPBSXFUJSIAGE-AWEZNQCLSA-N 2 2 276.428 2.420 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000153635426 395013444 /nfs/dbraw/zinc/01/34/44/395013444.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000153635426 395013448 /nfs/dbraw/zinc/01/34/48/395013448.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000153635426 395013454 /nfs/dbraw/zinc/01/34/54/395013454.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000153635426 395013460 /nfs/dbraw/zinc/01/34/60/395013460.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 2 299.418 2.483 20 30 CEEDLP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C#N)c[nH+]1 ZINC000528213043 395287152 /nfs/dbraw/zinc/28/71/52/395287152.db2.gz WNAYURAUSYEFFH-HNNXBMFYSA-N 2 2 270.380 2.112 20 30 CEEDLP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(C#N)c[nH+]1 ZINC000528213043 395287158 /nfs/dbraw/zinc/28/71/58/395287158.db2.gz WNAYURAUSYEFFH-HNNXBMFYSA-N 2 2 270.380 2.112 20 30 CEEDLP C[N@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442714243 395391939 /nfs/dbraw/zinc/39/19/39/395391939.db2.gz YITVGHWXHXAZFI-CVEARBPZSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442714243 395391944 /nfs/dbraw/zinc/39/19/44/395391944.db2.gz YITVGHWXHXAZFI-CVEARBPZSA-N 2 2 257.381 2.400 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000442778594 395394972 /nfs/dbraw/zinc/39/49/72/395394972.db2.gz HEWLYAVCQNNBGR-MELADBBJSA-N 2 2 258.369 2.351 20 30 CEEDLP Cc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1C#N ZINC000443996061 395409326 /nfs/dbraw/zinc/40/93/26/395409326.db2.gz PBJPIKCLDGMGTJ-HNNXBMFYSA-N 2 2 287.407 2.067 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573134493 395601181 /nfs/dbraw/zinc/60/11/81/395601181.db2.gz LJIBDDDZESVOKI-KRWDZBQOSA-N 2 2 287.407 2.301 20 30 CEEDLP N#Cc1ccc(OCC[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000179428243 165280074 /nfs/dbraw/zinc/28/00/74/165280074.db2.gz QRNCLKHQRVFZJC-UHFFFAOYSA-N 2 2 292.342 2.375 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657875267 415110563 /nfs/dbraw/zinc/11/05/63/415110563.db2.gz IMWPBBPHIRGKEI-UHFFFAOYSA-N 2 2 258.356 2.314 20 30 CEEDLP C=C(Cl)CNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262016420 262761117 /nfs/dbraw/zinc/76/11/17/262761117.db2.gz XTTAFCIMTWVCNI-YPMHNXCESA-N 2 2 295.818 2.094 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332439835 265926203 /nfs/dbraw/zinc/92/62/03/265926203.db2.gz ZLIGZZWDXILVOF-HIFRSBDPSA-N 2 2 270.380 2.332 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357047051 266238710 /nfs/dbraw/zinc/23/87/10/266238710.db2.gz IYGVQNGBBXRKNY-HOCLYGCPSA-N 2 2 272.392 2.293 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357047051 266238712 /nfs/dbraw/zinc/23/87/12/266238712.db2.gz IYGVQNGBBXRKNY-HOCLYGCPSA-N 2 2 272.392 2.293 20 30 CEEDLP C[N@H+](CCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266686 268061991 /nfs/dbraw/zinc/06/19/91/268061991.db2.gz MCDPLRWDOMPNCO-UHFFFAOYSA-N 3 2 292.471 2.028 20 30 CEEDLP C[N@@H+](CCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266686 268061992 /nfs/dbraw/zinc/06/19/92/268061992.db2.gz MCDPLRWDOMPNCO-UHFFFAOYSA-N 3 2 292.471 2.028 20 30 CEEDLP Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425231140 271142500 /nfs/dbraw/zinc/14/25/00/271142500.db2.gz MUXYSEYVPWKZRI-OAHLLOKOSA-N 2 2 284.407 2.430 20 30 CEEDLP Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425231140 271142504 /nfs/dbraw/zinc/14/25/04/271142504.db2.gz MUXYSEYVPWKZRI-OAHLLOKOSA-N 2 2 284.407 2.430 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCOCC1 ZINC000353255108 289693929 /nfs/dbraw/zinc/69/39/29/289693929.db2.gz NPBVCPQWMWAAAV-RDTXWAMCSA-N 2 2 299.418 2.103 20 30 CEEDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)[nH+]c2)C1 ZINC000562463469 327482883 /nfs/dbraw/zinc/48/28/83/327482883.db2.gz OEXHBJBIFXOCEF-OFQRWUPVSA-N 2 2 299.422 2.326 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000178061509 329192193 /nfs/dbraw/zinc/19/21/93/329192193.db2.gz HRBZBLHPLUHLMV-WBVHZDCISA-N 2 2 271.408 2.295 20 30 CEEDLP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000178061509 329192194 /nfs/dbraw/zinc/19/21/94/329192194.db2.gz HRBZBLHPLUHLMV-WBVHZDCISA-N 2 2 271.408 2.295 20 30 CEEDLP C[NH+](CC#CC[N@@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000276273605 330112768 /nfs/dbraw/zinc/11/27/68/330112768.db2.gz DFOSZKQVOWTGFK-UHFFFAOYSA-N 2 2 294.402 2.044 20 30 CEEDLP C[NH+](CC#CC[N@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000276273605 330112770 /nfs/dbraw/zinc/11/27/70/330112770.db2.gz DFOSZKQVOWTGFK-UHFFFAOYSA-N 2 2 294.402 2.044 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449548567 330935596 /nfs/dbraw/zinc/93/55/96/330935596.db2.gz OPFBLJHSGUFSTD-CABCVRRESA-N 2 2 271.364 2.466 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453258568 331108387 /nfs/dbraw/zinc/10/83/87/331108387.db2.gz HVDFQBMMYRHBJS-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453258568 331108388 /nfs/dbraw/zinc/10/83/88/331108388.db2.gz HVDFQBMMYRHBJS-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453261612 331108717 /nfs/dbraw/zinc/10/87/17/331108717.db2.gz KBTREVKINWAQBR-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453261612 331108718 /nfs/dbraw/zinc/10/87/18/331108718.db2.gz KBTREVKINWAQBR-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000491070271 332145711 /nfs/dbraw/zinc/14/57/11/332145711.db2.gz AKXQIXCBWZQXFD-AWEZNQCLSA-N 2 2 276.428 2.378 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000491070271 332145712 /nfs/dbraw/zinc/14/57/12/332145712.db2.gz AKXQIXCBWZQXFD-AWEZNQCLSA-N 2 2 276.428 2.378 20 30 CEEDLP C#C[C@H](CCC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000491359826 332196299 /nfs/dbraw/zinc/19/62/99/332196299.db2.gz BHTPUBMSCOBJNR-GFCCVEGCSA-N 2 2 292.346 2.424 20 30 CEEDLP C#C[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000491525795 332230267 /nfs/dbraw/zinc/23/02/67/332230267.db2.gz VFLFWSKUKKXLNJ-JKSUJKDBSA-N 2 2 299.418 2.261 20 30 CEEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689155 332286682 /nfs/dbraw/zinc/28/66/82/332286682.db2.gz GVMCMMFURVHGPC-HKUYNNGSSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689155 332286684 /nfs/dbraw/zinc/28/66/84/332286684.db2.gz GVMCMMFURVHGPC-HKUYNNGSSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689155 332286686 /nfs/dbraw/zinc/28/66/86/332286686.db2.gz GVMCMMFURVHGPC-HKUYNNGSSA-N 2 2 298.430 2.064 20 30 CEEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689155 332286687 /nfs/dbraw/zinc/28/66/87/332286687.db2.gz GVMCMMFURVHGPC-HKUYNNGSSA-N 2 2 298.430 2.064 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1OC ZINC000729682552 574490785 /nfs/dbraw/zinc/49/07/85/574490785.db2.gz UOSIPYBWWLPFNE-CQSZACIVSA-N 2 2 276.380 2.054 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000677133080 624030839 /nfs/dbraw/zinc/03/08/39/624030839.db2.gz GMDCRZQADSCMST-IRXDYDNUSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000677133080 624030846 /nfs/dbraw/zinc/03/08/46/624030846.db2.gz GMDCRZQADSCMST-IRXDYDNUSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000677133080 624030852 /nfs/dbraw/zinc/03/08/52/624030852.db2.gz GMDCRZQADSCMST-IRXDYDNUSA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000677133080 624030856 /nfs/dbraw/zinc/03/08/56/624030856.db2.gz GMDCRZQADSCMST-IRXDYDNUSA-N 2 2 278.440 2.223 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347397 634585468 /nfs/dbraw/zinc/58/54/68/634585468.db2.gz UBNXJVNYJZPWMU-OAHLLOKOSA-N 3 2 265.445 2.005 20 30 CEEDLP C[C@H]1CCCN(C(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000104153796 628380106 /nfs/dbraw/zinc/38/01/06/628380106.db2.gz ZWOWPUWRBULHOG-GOEBONIOSA-N 2 2 288.439 2.336 20 30 CEEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000261898822 629308533 /nfs/dbraw/zinc/30/85/33/629308533.db2.gz RHZFZRFQMDBVKE-ARFHVFGLSA-N 2 2 292.471 2.216 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924983282 629320084 /nfs/dbraw/zinc/32/00/84/629320084.db2.gz DKJLPEWCPGYXKB-KRWDZBQOSA-N 2 2 278.440 2.432 20 30 CEEDLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902725919 634796124 /nfs/dbraw/zinc/79/61/24/634796124.db2.gz IHTLCYOYPHYMNO-LBPRGKRZSA-N 2 2 258.369 2.088 20 30 CEEDLP C[C@H](C#N)OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000801938600 631364001 /nfs/dbraw/zinc/36/40/01/631364001.db2.gz IRYOJEWJDOBIAM-OAHLLOKOSA-N 2 2 290.411 2.304 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989033868 631717638 /nfs/dbraw/zinc/71/76/38/631717638.db2.gz AXIRNOSURPPFPA-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C#C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809683323 632127180 /nfs/dbraw/zinc/12/71/80/632127180.db2.gz YYWUUEDKHQWSQY-AWEZNQCLSA-N 2 2 271.408 2.333 20 30 CEEDLP C=C(C[NH+](C)C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000822701903 634976636 /nfs/dbraw/zinc/97/66/36/634976636.db2.gz JMCURALEJFMIOP-UHFFFAOYSA-N 2 2 296.440 2.041 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccnc1 ZINC000903380752 635093917 /nfs/dbraw/zinc/09/39/17/635093917.db2.gz OTIHBJBSJFRIKR-KBMXLJTQSA-N 2 2 272.396 2.356 20 30 CEEDLP C#C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000827566185 636355877 /nfs/dbraw/zinc/35/58/77/636355877.db2.gz SYQWNHZZGSLJLW-KRWDZBQOSA-N 2 2 299.418 2.068 20 30 CEEDLP CC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912498723 638708326 /nfs/dbraw/zinc/70/83/26/638708326.db2.gz FJVBOSCYDUWWSK-UHFFFAOYSA-N 2 2 265.405 2.017 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC000312617958 640067790 /nfs/dbraw/zinc/06/77/90/640067790.db2.gz GGOKUSXBDGATOA-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC000312617958 640067795 /nfs/dbraw/zinc/06/77/95/640067795.db2.gz GGOKUSXBDGATOA-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP COc1cccc(/C=[NH+]/C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756200 641413439 /nfs/dbraw/zinc/41/34/39/641413439.db2.gz HIANDLGWTWXGIF-ZBPJJPRESA-N 2 2 262.353 2.160 20 30 CEEDLP C=CC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000998770974 642433125 /nfs/dbraw/zinc/43/31/25/642433125.db2.gz RPDMGJDJJIXAHD-UHFFFAOYSA-N 2 2 298.390 2.021 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515579 643747336 /nfs/dbraw/zinc/74/73/36/643747336.db2.gz HMDSAFDPMAYYIO-UONOGXRCSA-N 2 2 275.783 2.253 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515579 643747341 /nfs/dbraw/zinc/74/73/41/643747341.db2.gz HMDSAFDPMAYYIO-UONOGXRCSA-N 2 2 275.783 2.253 20 30 CEEDLP C#CCCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000878057534 650986892 /nfs/dbraw/zinc/98/68/92/650986892.db2.gz MYIXFVOLUFVJBT-UHFFFAOYSA-N 2 2 287.407 2.406 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000863547703 646754079 /nfs/dbraw/zinc/75/40/79/646754079.db2.gz RQRUANXIJSFCFH-NFAWXSAZSA-N 2 2 273.380 2.380 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000873280714 649623156 /nfs/dbraw/zinc/62/31/56/649623156.db2.gz VJIOYHXVMVOMBZ-KGLIPLIRSA-N 2 2 254.418 2.335 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000883131233 652372816 /nfs/dbraw/zinc/37/28/16/652372816.db2.gz QMWWGRSPYJSFDF-UHFFFAOYSA-N 2 2 263.410 2.065 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000883131233 652372818 /nfs/dbraw/zinc/37/28/18/652372818.db2.gz QMWWGRSPYJSFDF-UHFFFAOYSA-N 2 2 263.410 2.065 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCO1 ZINC000883223422 652405069 /nfs/dbraw/zinc/40/50/69/652405069.db2.gz PAFYOTFMNPAUNP-NOLJZWGESA-N 2 2 275.396 2.370 20 30 CEEDLP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001168319771 806651694 /nfs/dbraw/zinc/65/16/94/806651694.db2.gz XXUCRLBLOWUYOW-RUXDESIVSA-N 2 2 280.437 2.133 20 30 CEEDLP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001168319771 806651696 /nfs/dbraw/zinc/65/16/96/806651696.db2.gz XXUCRLBLOWUYOW-RUXDESIVSA-N 2 2 280.437 2.133 20 30 CEEDLP C=CC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001267843126 803769638 /nfs/dbraw/zinc/76/96/38/803769638.db2.gz FKOLLKGXRJFZJK-AWEZNQCLSA-N 2 2 290.411 2.039 20 30 CEEDLP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970819 804371468 /nfs/dbraw/zinc/37/14/68/804371468.db2.gz RTWRWYODMYMDPI-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970819 804371474 /nfs/dbraw/zinc/37/14/74/804371474.db2.gz RTWRWYODMYMDPI-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416883 810837327 /nfs/dbraw/zinc/83/73/27/810837327.db2.gz PWTITZBSLMZWCW-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416883 810837338 /nfs/dbraw/zinc/83/73/38/810837338.db2.gz PWTITZBSLMZWCW-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086434863 811141809 /nfs/dbraw/zinc/14/18/09/811141809.db2.gz MNPKOHPIRJMICA-SHTZXODSSA-N 2 2 287.407 2.291 20 30 CEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001054921601 812666600 /nfs/dbraw/zinc/66/66/00/812666600.db2.gz BSIUEMNSIGWESB-SWLSCSKDSA-N 2 2 287.407 2.243 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C#N)c1 ZINC001206187541 815571906 /nfs/dbraw/zinc/57/19/06/815571906.db2.gz UFTOKIABHSOIKV-LSDHHAIUSA-N 2 2 261.344 2.128 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C#N)c1 ZINC001206187541 815571910 /nfs/dbraw/zinc/57/19/10/815571910.db2.gz UFTOKIABHSOIKV-LSDHHAIUSA-N 2 2 261.344 2.128 20 30 CEEDLP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246114896 813705282 /nfs/dbraw/zinc/70/52/82/813705282.db2.gz OZMFSEZEHUJSAA-RBSFLKMASA-N 2 2 256.434 2.438 20 30 CEEDLP C[NH+]1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001256202959 814183175 /nfs/dbraw/zinc/18/31/75/814183175.db2.gz OKPUQTUGGGGFEY-UHFFFAOYSA-N 2 2 255.365 2.011 20 30 CEEDLP C[NH+]1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001256202959 814183180 /nfs/dbraw/zinc/18/31/80/814183180.db2.gz OKPUQTUGGGGFEY-UHFFFAOYSA-N 2 2 255.365 2.011 20 30 CEEDLP CCCCCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244545 814221660 /nfs/dbraw/zinc/22/16/60/814221660.db2.gz QDTCHLMDERHLSM-UHFFFAOYSA-N 2 2 294.443 2.029 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681222 /nfs/dbraw/zinc/68/12/22/815681222.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681226 /nfs/dbraw/zinc/68/12/26/815681226.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681228 /nfs/dbraw/zinc/68/12/28/815681228.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681230 /nfs/dbraw/zinc/68/12/30/815681230.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 2 261.413 2.485 20 30 CEEDLP N#CCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344021 816779832 /nfs/dbraw/zinc/77/98/32/816779832.db2.gz LNWIPBBOLUWHTP-INIZCTEOSA-N 2 2 291.370 2.242 20 30 CEEDLP N#CCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344021 816779837 /nfs/dbraw/zinc/77/98/37/816779837.db2.gz LNWIPBBOLUWHTP-INIZCTEOSA-N 2 2 291.370 2.242 20 30 CEEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000121772487 365613860 /nfs/dbraw/zinc/61/38/60/365613860.db2.gz BDEBMVFDYLZTLM-UHFFFAOYSA-N 2 2 284.363 2.339 20 30 CEEDLP C=CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668493841 539183852 /nfs/dbraw/zinc/18/38/52/539183852.db2.gz RZMGLCKTOCBEDB-CYBMUJFWSA-N 2 2 262.401 2.274 20 30 CEEDLP C=CC[C@@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668493841 539183853 /nfs/dbraw/zinc/18/38/53/539183853.db2.gz RZMGLCKTOCBEDB-CYBMUJFWSA-N 2 2 262.401 2.274 20 30 CEEDLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1C#N ZINC000234908823 344588269 /nfs/dbraw/zinc/58/82/69/344588269.db2.gz DQFKCDXYDMTRLD-UHFFFAOYSA-N 2 2 284.363 2.333 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000602518844 347064654 /nfs/dbraw/zinc/06/46/54/347064654.db2.gz QXWDFTPHANFLDH-OAHLLOKOSA-N 2 2 290.411 2.352 20 30 CEEDLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602529415 347067988 /nfs/dbraw/zinc/06/79/88/347067988.db2.gz UUJGVGYMCZRAQE-AWEZNQCLSA-N 2 2 267.417 2.015 20 30 CEEDLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602529415 347067990 /nfs/dbraw/zinc/06/79/90/347067990.db2.gz UUJGVGYMCZRAQE-AWEZNQCLSA-N 2 2 267.417 2.015 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602537645 347070295 /nfs/dbraw/zinc/07/02/95/347070295.db2.gz AWRYECFVNGRIFP-UHFFFAOYSA-N 2 2 294.420 2.275 20 30 CEEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000491815154 344914886 /nfs/dbraw/zinc/91/48/86/344914886.db2.gz KPZWQHDKCBZIHZ-CQSZACIVSA-N 2 2 257.381 2.047 20 30 CEEDLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589340907 345078651 /nfs/dbraw/zinc/07/86/51/345078651.db2.gz VTYKPTYGCSRSNU-GOSISDBHSA-N 2 2 299.418 2.246 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591581809 345266793 /nfs/dbraw/zinc/26/67/93/345266793.db2.gz WLXJLDOVSLBLNE-ICCXJUOJSA-N 2 2 265.307 2.048 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@@H+]1C1CC1 ZINC000592371147 345346969 /nfs/dbraw/zinc/34/69/69/345346969.db2.gz RLVZFUKIJLGSAS-XJKSGUPXSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[N@H+]1C1CC1 ZINC000592371147 345346970 /nfs/dbraw/zinc/34/69/70/345346970.db2.gz RLVZFUKIJLGSAS-XJKSGUPXSA-N 2 2 269.392 2.467 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000594496370 345638436 /nfs/dbraw/zinc/63/84/36/345638436.db2.gz LPHPSIQSESTPJZ-RDTXWAMCSA-N 2 2 299.418 2.462 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000595892944 345908257 /nfs/dbraw/zinc/90/82/57/345908257.db2.gz OWOYRWIPAXEGSX-LLVKDONJSA-N 2 2 283.297 2.358 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000595892944 345908259 /nfs/dbraw/zinc/90/82/59/345908259.db2.gz OWOYRWIPAXEGSX-LLVKDONJSA-N 2 2 283.297 2.358 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000596060356 345930259 /nfs/dbraw/zinc/93/02/59/345930259.db2.gz ZZNZPOUZLZQWBA-ZDUSSCGKSA-N 2 2 290.436 2.226 20 30 CEEDLP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596060356 345930262 /nfs/dbraw/zinc/93/02/62/345930262.db2.gz ZZNZPOUZLZQWBA-ZDUSSCGKSA-N 2 2 290.436 2.226 20 30 CEEDLP N#CC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000597177946 346141982 /nfs/dbraw/zinc/14/19/82/346141982.db2.gz SKEVXFPEQDFBLN-CYBMUJFWSA-N 2 2 254.337 2.460 20 30 CEEDLP N#CC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000597177946 346141985 /nfs/dbraw/zinc/14/19/85/346141985.db2.gz SKEVXFPEQDFBLN-CYBMUJFWSA-N 2 2 254.337 2.460 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000598722758 346408678 /nfs/dbraw/zinc/40/86/78/346408678.db2.gz AHXSVRVPCIYUCC-OAHLLOKOSA-N 2 2 298.390 2.263 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000600712579 346675722 /nfs/dbraw/zinc/67/57/22/346675722.db2.gz YODQBTCKSYGPKL-JTNHKYCSSA-N 2 2 261.344 2.488 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108369396 186213894 /nfs/dbraw/zinc/21/38/94/186213894.db2.gz XXAOVSDWVSLDAG-HNNXBMFYSA-N 2 2 295.471 2.262 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629391149 351348200 /nfs/dbraw/zinc/34/82/00/351348200.db2.gz WPJFIBURHHJISU-JKSUJKDBSA-N 2 2 260.381 2.482 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292162766 198187418 /nfs/dbraw/zinc/18/74/18/198187418.db2.gz ORTNKSLGAFNNLP-INIZCTEOSA-N 2 2 255.365 2.086 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292162766 198187420 /nfs/dbraw/zinc/18/74/20/198187420.db2.gz ORTNKSLGAFNNLP-INIZCTEOSA-N 2 2 255.365 2.086 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000292162766 198187421 /nfs/dbraw/zinc/18/74/21/198187421.db2.gz ORTNKSLGAFNNLP-INIZCTEOSA-N 2 2 255.365 2.086 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000292162766 198187423 /nfs/dbraw/zinc/18/74/23/198187423.db2.gz ORTNKSLGAFNNLP-INIZCTEOSA-N 2 2 255.365 2.086 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003131 363507157 /nfs/dbraw/zinc/50/71/57/363507157.db2.gz LNVRXYAPNDFNIA-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003131 363507160 /nfs/dbraw/zinc/50/71/60/363507160.db2.gz LNVRXYAPNDFNIA-MRXNPFEDSA-N 2 2 295.471 2.075 20 30 CEEDLP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000578587731 366515567 /nfs/dbraw/zinc/51/55/67/366515567.db2.gz DAZQKMXAPOIMJJ-QZTJIDSGSA-N 2 2 299.418 2.290 20 30 CEEDLP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000578587732 366515776 /nfs/dbraw/zinc/51/57/76/366515776.db2.gz DAZQKMXAPOIMJJ-ROUUACIJSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(C)(C)C#N)CC2)CCO1 ZINC000157967485 366850589 /nfs/dbraw/zinc/85/05/89/366850589.db2.gz YUVYFWSGXQMEHH-AWEZNQCLSA-N 2 2 279.428 2.111 20 30 CEEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC(C)(C)C#N)CC2)CCO1 ZINC000157967485 366850600 /nfs/dbraw/zinc/85/06/00/366850600.db2.gz YUVYFWSGXQMEHH-AWEZNQCLSA-N 2 2 279.428 2.111 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512763 367854103 /nfs/dbraw/zinc/85/41/03/367854103.db2.gz NLEADTOFOUPVIQ-CXAGYDPISA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343512763 367854111 /nfs/dbraw/zinc/85/41/11/367854111.db2.gz NLEADTOFOUPVIQ-CXAGYDPISA-N 2 2 269.392 2.173 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000574338230 335011811 /nfs/dbraw/zinc/01/18/11/335011811.db2.gz SXJOIPVWQWOCOG-GOEBONIOSA-N 2 2 284.407 2.328 20 30 CEEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352484251 369751628 /nfs/dbraw/zinc/75/16/28/369751628.db2.gz NCRRZIPROGYMQB-CYBMUJFWSA-N 2 2 253.365 2.188 20 30 CEEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352484251 369751631 /nfs/dbraw/zinc/75/16/31/369751631.db2.gz NCRRZIPROGYMQB-CYBMUJFWSA-N 2 2 253.365 2.188 20 30 CEEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246824442 371016576 /nfs/dbraw/zinc/01/65/76/371016576.db2.gz NWRFMOJZAQQRIN-HLLBOEOZSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246824442 371016582 /nfs/dbraw/zinc/01/65/82/371016582.db2.gz NWRFMOJZAQQRIN-HLLBOEOZSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246824442 371016589 /nfs/dbraw/zinc/01/65/89/371016589.db2.gz NWRFMOJZAQQRIN-HLLBOEOZSA-N 2 2 286.423 2.379 20 30 CEEDLP CCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000264116374 371972667 /nfs/dbraw/zinc/97/26/67/371972667.db2.gz SRUVBJIFODCGLL-GFCCVEGCSA-N 2 2 268.430 2.055 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264124064 371974123 /nfs/dbraw/zinc/97/41/23/371974123.db2.gz RTPZSHBUDPNGRL-CQSZACIVSA-N 2 2 292.427 2.367 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985015 373247701 /nfs/dbraw/zinc/24/77/01/373247701.db2.gz XUHIUYBMOPNFTI-FZMZJTMJSA-N 2 2 261.344 2.442 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)c(F)c1 ZINC000271985015 373247710 /nfs/dbraw/zinc/24/77/10/373247710.db2.gz XUHIUYBMOPNFTI-FZMZJTMJSA-N 2 2 261.344 2.442 20 30 CEEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000371795363 373981134 /nfs/dbraw/zinc/98/11/34/373981134.db2.gz HDUZWNPMGXPKSX-HZPDHXFCSA-N 2 2 293.455 2.407 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989421 374237556 /nfs/dbraw/zinc/23/75/56/374237556.db2.gz JTZDFNSOYWEVRP-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989421 374237562 /nfs/dbraw/zinc/23/75/62/374237562.db2.gz JTZDFNSOYWEVRP-MRXNPFEDSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1C#N ZINC000282156025 375416111 /nfs/dbraw/zinc/41/61/11/375416111.db2.gz DAFAMXWYRUXLOT-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1C#N ZINC000282156025 375416114 /nfs/dbraw/zinc/41/61/14/375416114.db2.gz DAFAMXWYRUXLOT-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000282156025 375416120 /nfs/dbraw/zinc/41/61/20/375416120.db2.gz DAFAMXWYRUXLOT-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000282156025 375416125 /nfs/dbraw/zinc/41/61/25/375416125.db2.gz DAFAMXWYRUXLOT-XJKSGUPXSA-N 2 2 287.407 2.481 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000556745593 376476986 /nfs/dbraw/zinc/47/69/86/376476986.db2.gz BFPIAOFKCPJYSH-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000556745593 376476988 /nfs/dbraw/zinc/47/69/88/376476988.db2.gz BFPIAOFKCPJYSH-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420957875 376749868 /nfs/dbraw/zinc/74/98/68/376749868.db2.gz CBABRDWDWZHXFH-UHFFFAOYSA-N 2 2 299.418 2.420 20 30 CEEDLP C=CC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420957875 376749872 /nfs/dbraw/zinc/74/98/72/376749872.db2.gz CBABRDWDWZHXFH-UHFFFAOYSA-N 2 2 299.418 2.420 20 30 CEEDLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1C#N ZINC000423131500 377030774 /nfs/dbraw/zinc/03/07/74/377030774.db2.gz ZXRBBNCYQDIBCY-SWLSCSKDSA-N 2 2 273.380 2.187 20 30 CEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000563709450 377281459 /nfs/dbraw/zinc/28/14/59/377281459.db2.gz UBMIJAOZBPMIRR-HZPDHXFCSA-N 2 2 276.428 2.388 20 30 CEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000563709450 377281466 /nfs/dbraw/zinc/28/14/66/377281466.db2.gz UBMIJAOZBPMIRR-HZPDHXFCSA-N 2 2 276.428 2.388 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC ZINC000295092747 378040453 /nfs/dbraw/zinc/04/04/53/378040453.db2.gz UZJOSGBHAKWHKD-CQSZACIVSA-N 2 2 260.381 2.301 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC ZINC000295092747 378040455 /nfs/dbraw/zinc/04/04/55/378040455.db2.gz UZJOSGBHAKWHKD-CQSZACIVSA-N 2 2 260.381 2.301 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000295091279 378040502 /nfs/dbraw/zinc/04/05/02/378040502.db2.gz UWCZLOLGBSRLCR-MRXNPFEDSA-N 2 2 296.361 2.197 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000295091279 378040504 /nfs/dbraw/zinc/04/05/04/378040504.db2.gz UWCZLOLGBSRLCR-MRXNPFEDSA-N 2 2 296.361 2.197 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449394009 378211114 /nfs/dbraw/zinc/21/11/14/378211114.db2.gz DJJQZIYZBWVRHF-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449394009 378211116 /nfs/dbraw/zinc/21/11/16/378211116.db2.gz DJJQZIYZBWVRHF-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000281606480 195305583 /nfs/dbraw/zinc/30/55/83/195305583.db2.gz GIDSAXLSIVKBNA-BLLLJJGKSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000281606480 195305585 /nfs/dbraw/zinc/30/55/85/195305585.db2.gz GIDSAXLSIVKBNA-BLLLJJGKSA-N 2 2 285.391 2.139 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000301839244 394466116 /nfs/dbraw/zinc/46/61/16/394466116.db2.gz ZNRBBWCEPDLNOT-UHFFFAOYSA-N 2 2 298.394 2.033 20 30 CEEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328977353 394558827 /nfs/dbraw/zinc/55/88/27/394558827.db2.gz WRJBYAIALQQJDJ-IPYPFGDCSA-N 2 2 290.411 2.131 20 30 CEEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328977353 394558831 /nfs/dbraw/zinc/55/88/31/394558831.db2.gz WRJBYAIALQQJDJ-IPYPFGDCSA-N 2 2 290.411 2.131 20 30 CEEDLP CC(C)[N@@H+](C)C[C@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000356238044 394568527 /nfs/dbraw/zinc/56/85/27/394568527.db2.gz LTZVVMZSDUYHOT-ZDUSSCGKSA-N 2 2 285.395 2.024 20 30 CEEDLP CC(C)[N@H+](C)C[C@H](C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000356238044 394568530 /nfs/dbraw/zinc/56/85/30/394568530.db2.gz LTZVVMZSDUYHOT-ZDUSSCGKSA-N 2 2 285.395 2.024 20 30 CEEDLP CC[NH+]=C(NCC1CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931074 394609110 /nfs/dbraw/zinc/60/91/10/394609110.db2.gz BJSIDCUMNNCLLB-HIFRSBDPSA-N 2 2 289.427 2.142 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)c1ccsc1 ZINC000262648851 394622070 /nfs/dbraw/zinc/62/20/70/394622070.db2.gz JXYVYEUFCNYHGF-YPMHNXCESA-N 2 2 280.441 2.068 20 30 CEEDLP CC[NH+](CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000104177997 394719030 /nfs/dbraw/zinc/71/90/30/394719030.db2.gz CLOWFZIDANKXEI-ZDUSSCGKSA-N 2 2 280.416 2.142 20 30 CEEDLP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1C#N ZINC000414832594 394759904 /nfs/dbraw/zinc/75/99/04/394759904.db2.gz DVMMNVJEFGCFBA-AWEZNQCLSA-N 2 2 261.369 2.030 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCSC1 ZINC000361432525 394829296 /nfs/dbraw/zinc/82/92/96/394829296.db2.gz PIOWDPULKLJTMX-RDBSUJKOSA-N 2 2 267.442 2.096 20 30 CEEDLP CC#CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282120117 394909619 /nfs/dbraw/zinc/90/96/19/394909619.db2.gz QOYVLLWTUCTEBQ-CQSZACIVSA-N 2 2 257.381 2.422 20 30 CEEDLP CC#CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282120117 394909621 /nfs/dbraw/zinc/90/96/21/394909621.db2.gz QOYVLLWTUCTEBQ-CQSZACIVSA-N 2 2 257.381 2.422 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1(C)COC1)C(C)C ZINC000285253272 394955507 /nfs/dbraw/zinc/95/55/07/394955507.db2.gz ASSAJGDUTAKQAG-HNNXBMFYSA-N 2 2 266.429 2.311 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(C)(C)C#N)CC2)CCO1 ZINC000157967350 395035912 /nfs/dbraw/zinc/03/59/12/395035912.db2.gz YUVYFWSGXQMEHH-CQSZACIVSA-N 2 2 279.428 2.111 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(C)(C)C#N)CC2)CCO1 ZINC000157967350 395035914 /nfs/dbraw/zinc/03/59/14/395035914.db2.gz YUVYFWSGXQMEHH-CQSZACIVSA-N 2 2 279.428 2.111 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000533865605 395462612 /nfs/dbraw/zinc/46/26/12/395462612.db2.gz TUWGTJQRTJDZFE-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000533865605 395462615 /nfs/dbraw/zinc/46/26/15/395462615.db2.gz TUWGTJQRTJDZFE-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1C#N ZINC000443984189 395407969 /nfs/dbraw/zinc/40/79/69/395407969.db2.gz WEYSFMDTOHKDRD-OAHLLOKOSA-N 2 2 255.365 2.193 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1C#N ZINC000443984189 395407971 /nfs/dbraw/zinc/40/79/71/395407971.db2.gz WEYSFMDTOHKDRD-OAHLLOKOSA-N 2 2 255.365 2.193 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1C#N ZINC000443990053 395409720 /nfs/dbraw/zinc/40/97/20/395409720.db2.gz QIOQJZVDHDJDIO-CZUORRHYSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1C#N ZINC000443990053 395409722 /nfs/dbraw/zinc/40/97/22/395409722.db2.gz QIOQJZVDHDJDIO-CZUORRHYSA-N 2 2 257.381 2.439 20 30 CEEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000657293488 414836993 /nfs/dbraw/zinc/83/69/93/414836993.db2.gz OIHFTWBBMIGWEJ-HNNXBMFYSA-N 2 2 291.443 2.208 20 30 CEEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000657293488 414836997 /nfs/dbraw/zinc/83/69/97/414836997.db2.gz OIHFTWBBMIGWEJ-HNNXBMFYSA-N 2 2 291.443 2.208 20 30 CEEDLP C=CCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCOCC1 ZINC000657634266 415030856 /nfs/dbraw/zinc/03/08/56/415030856.db2.gz FOMXGJDCCUEPQN-UHFFFAOYSA-N 2 2 261.369 2.044 20 30 CEEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000657867920 415108434 /nfs/dbraw/zinc/10/84/34/415108434.db2.gz VYPVKHKPNLRVJC-LSDHHAIUSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000657867920 415108439 /nfs/dbraw/zinc/10/84/39/415108439.db2.gz VYPVKHKPNLRVJC-LSDHHAIUSA-N 2 2 254.418 2.289 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+]CC(C)(C)CCC#N)CCSC1 ZINC000344765419 225159458 /nfs/dbraw/zinc/15/94/58/225159458.db2.gz HGXIWIOLTRLJKT-AWEZNQCLSA-N 2 2 269.458 2.343 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666766922 419422836 /nfs/dbraw/zinc/42/28/36/419422836.db2.gz KCABBBCRKUOIPC-OAHLLOKOSA-N 2 2 290.407 2.492 20 30 CEEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297364894 260119815 /nfs/dbraw/zinc/11/98/15/260119815.db2.gz GBRLIFUIQNAKAO-UHFFFAOYSA-N 2 2 253.349 2.098 20 30 CEEDLP C#CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297364894 260119816 /nfs/dbraw/zinc/11/98/16/260119816.db2.gz GBRLIFUIQNAKAO-UHFFFAOYSA-N 2 2 253.349 2.098 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000072670717 260277896 /nfs/dbraw/zinc/27/78/96/260277896.db2.gz LZPBSIQJAUBFJF-UHFFFAOYSA-N 2 2 283.379 2.023 20 30 CEEDLP Cc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1C#N ZINC000443996062 269913634 /nfs/dbraw/zinc/91/36/34/269913634.db2.gz PBJPIKCLDGMGTJ-OAHLLOKOSA-N 2 2 287.407 2.067 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCF)cc1 ZINC000285119344 263090270 /nfs/dbraw/zinc/09/02/70/263090270.db2.gz KFVQYSOJRZEGBT-UHFFFAOYSA-N 2 2 267.348 2.135 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000340478924 263167307 /nfs/dbraw/zinc/16/73/07/263167307.db2.gz MVWUGWRTODNCFH-INIZCTEOSA-N 2 2 276.428 2.148 20 30 CEEDLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442640764 264484441 /nfs/dbraw/zinc/48/44/41/264484441.db2.gz BTLGXNBRUPGCNE-IKGGRYGDSA-N 2 2 271.408 2.441 20 30 CEEDLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423422864 267194026 /nfs/dbraw/zinc/19/40/26/267194026.db2.gz ZILXJHNEISALAM-IAGOWNOFSA-N 2 2 287.407 2.368 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000156277182 289192939 /nfs/dbraw/zinc/19/29/39/289192939.db2.gz PGYMFOCBVOSLDG-FZMZJTMJSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000156277182 289192941 /nfs/dbraw/zinc/19/29/41/289192941.db2.gz PGYMFOCBVOSLDG-FZMZJTMJSA-N 2 2 261.344 2.270 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535045058 298181632 /nfs/dbraw/zinc/18/16/32/298181632.db2.gz LDBRNZQUIHWUSY-HNNXBMFYSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535045058 298181634 /nfs/dbraw/zinc/18/16/34/298181634.db2.gz LDBRNZQUIHWUSY-HNNXBMFYSA-N 2 2 296.374 2.290 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000344288008 298430709 /nfs/dbraw/zinc/43/07/09/298430709.db2.gz JMYXVKDMIIIRQU-CABCVRRESA-N 2 2 287.407 2.320 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000535316475 313390640 /nfs/dbraw/zinc/39/06/40/313390640.db2.gz GOBVPZIUDHOPEZ-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000535316475 313390643 /nfs/dbraw/zinc/39/06/43/313390643.db2.gz GOBVPZIUDHOPEZ-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP CC[NH+]=C(NC1CCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019303 328143825 /nfs/dbraw/zinc/14/38/25/328143825.db2.gz YLSVSJPJFYQRNE-ZFWWWQNUSA-N 2 2 289.427 2.284 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377777383 329029036 /nfs/dbraw/zinc/02/90/36/329029036.db2.gz LIBNFFBDXWQKSE-AWEZNQCLSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377777383 329029038 /nfs/dbraw/zinc/02/90/38/329029038.db2.gz LIBNFFBDXWQKSE-AWEZNQCLSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377777385 329029093 /nfs/dbraw/zinc/02/90/93/329029093.db2.gz LIBNFFBDXWQKSE-CQSZACIVSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377777385 329029095 /nfs/dbraw/zinc/02/90/95/329029095.db2.gz LIBNFFBDXWQKSE-CQSZACIVSA-N 2 2 281.359 2.069 20 30 CEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000184087202 329255944 /nfs/dbraw/zinc/25/59/44/329255944.db2.gz LAVJGIUJOFYFAF-OAHLLOKOSA-N 2 2 272.396 2.328 20 30 CEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422994473 330163198 /nfs/dbraw/zinc/16/31/98/330163198.db2.gz HUGTWPZWBDYCJJ-HYVNUMGLSA-N 2 2 287.407 2.388 20 30 CEEDLP CC[NH+](CC)CCOc1ccccc1C[NH2+]CCC#N ZINC000569110991 334855832 /nfs/dbraw/zinc/85/58/32/334855832.db2.gz MABSPXWPXOMFDE-UHFFFAOYSA-N 2 2 275.396 2.410 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(COC)o2)CC1 ZINC000344240683 526451856 /nfs/dbraw/zinc/45/18/56/526451856.db2.gz QUAHELXPHBOXMG-UHFFFAOYSA-N 2 2 264.369 2.166 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(CO)CCC3)CC2)cc1 ZINC000182440409 526609825 /nfs/dbraw/zinc/60/98/25/526609825.db2.gz OYZXJHBZHNVLSS-UHFFFAOYSA-N 2 2 299.418 2.027 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000404007387 528443020 /nfs/dbraw/zinc/44/30/20/528443020.db2.gz OTWMOGRATAJHQL-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000404007387 528443026 /nfs/dbraw/zinc/44/30/26/528443026.db2.gz OTWMOGRATAJHQL-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP C=C(C)C[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981453809 613312136 /nfs/dbraw/zinc/31/21/36/613312136.db2.gz CGKKYKFPYDJYEP-UHFFFAOYSA-N 2 2 298.390 2.287 20 30 CEEDLP C=C(C)C[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981453809 613312138 /nfs/dbraw/zinc/31/21/38/613312138.db2.gz CGKKYKFPYDJYEP-UHFFFAOYSA-N 2 2 298.390 2.287 20 30 CEEDLP C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000891671970 623885532 /nfs/dbraw/zinc/88/55/32/623885532.db2.gz SXPXQLKYWBTTCN-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1csc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000891671970 623885543 /nfs/dbraw/zinc/88/55/43/623885543.db2.gz SXPXQLKYWBTTCN-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1csc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000891671970 623885558 /nfs/dbraw/zinc/88/55/58/623885558.db2.gz SXPXQLKYWBTTCN-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1csc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000891671970 623885572 /nfs/dbraw/zinc/88/55/72/623885572.db2.gz SXPXQLKYWBTTCN-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001022462147 624137736 /nfs/dbraw/zinc/13/77/36/624137736.db2.gz KLJZUVUFFOXNII-GASCZTMLSA-N 2 2 287.407 2.433 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC000892396768 625207548 /nfs/dbraw/zinc/20/75/48/625207548.db2.gz QCLDJYBPFUXXEM-UHFFFAOYSA-N 2 2 271.368 2.182 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000328034573 627768730 /nfs/dbraw/zinc/76/87/30/627768730.db2.gz WAMBFUPXJRNXFH-HIFRSBDPSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000328034573 627768731 /nfs/dbraw/zinc/76/87/31/627768731.db2.gz WAMBFUPXJRNXFH-HIFRSBDPSA-N 2 2 260.381 2.448 20 30 CEEDLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(C#N)c1 ZINC000925624625 628317985 /nfs/dbraw/zinc/31/79/85/628317985.db2.gz YZBZQDVKTTTWRC-GROJBKKJSA-N 2 2 267.376 2.205 20 30 CEEDLP C=CC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001026515245 628344673 /nfs/dbraw/zinc/34/46/73/628344673.db2.gz KFOYOZQULROTQR-UHFFFAOYSA-N 2 2 298.390 2.380 20 30 CEEDLP C=CCC1(O)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000895834271 630371071 /nfs/dbraw/zinc/37/10/71/630371071.db2.gz JSGKWOPYSONPLN-UHFFFAOYSA-N 2 2 298.390 2.170 20 30 CEEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902761195 634814938 /nfs/dbraw/zinc/81/49/38/634814938.db2.gz MLIIMMMWLLXINU-HIFRSBDPSA-N 2 2 272.396 2.336 20 30 CEEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902761195 634814941 /nfs/dbraw/zinc/81/49/41/634814941.db2.gz MLIIMMMWLLXINU-HIFRSBDPSA-N 2 2 272.396 2.336 20 30 CEEDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926961598 632389012 /nfs/dbraw/zinc/38/90/12/632389012.db2.gz JQWGLOGAALSEQH-CJNGLKHVSA-N 2 2 275.396 2.176 20 30 CEEDLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817932575 633785467 /nfs/dbraw/zinc/78/54/67/633785467.db2.gz UACDFVXSVCOTNY-GUYCJALGSA-N 2 2 280.375 2.001 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000819022518 634043135 /nfs/dbraw/zinc/04/31/35/634043135.db2.gz QANZDDHRKFBWAY-KRWDZBQOSA-N 2 2 274.408 2.268 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1C#N ZINC000903858487 635310139 /nfs/dbraw/zinc/31/01/39/635310139.db2.gz IJRCVSIPYLUQPH-HOTGVXAUSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1C#N ZINC000903858487 635310150 /nfs/dbraw/zinc/31/01/50/635310150.db2.gz IJRCVSIPYLUQPH-HOTGVXAUSA-N 2 2 255.365 2.180 20 30 CEEDLP COCCC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921657273 642407592 /nfs/dbraw/zinc/40/75/92/642407592.db2.gz ZSUYXZLTPWMNPL-UHFFFAOYSA-N 2 2 293.436 2.210 20 30 CEEDLP CC(C)CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000754292547 644354521 /nfs/dbraw/zinc/35/45/21/644354521.db2.gz GRHDEQHNBBCMSM-UHFFFAOYSA-N 2 2 263.385 2.431 20 30 CEEDLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866219741 647678061 /nfs/dbraw/zinc/67/80/61/647678061.db2.gz WZVXXIJQPGVGJL-ZDUSSCGKSA-N 2 2 273.380 2.400 20 30 CEEDLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866219740 647678475 /nfs/dbraw/zinc/67/84/75/647678475.db2.gz WZVXXIJQPGVGJL-CYBMUJFWSA-N 2 2 273.380 2.400 20 30 CEEDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866250271 647695403 /nfs/dbraw/zinc/69/54/03/647695403.db2.gz XWEHCVRODNQTCS-NEPJUHHUSA-N 2 2 261.369 2.255 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866263933 647702796 /nfs/dbraw/zinc/70/27/96/647702796.db2.gz VLCOHLDZIQFCEZ-QWHCGFSZSA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866263933 647702798 /nfs/dbraw/zinc/70/27/98/647702798.db2.gz VLCOHLDZIQFCEZ-QWHCGFSZSA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+](C)C ZINC000866363534 647756502 /nfs/dbraw/zinc/75/65/02/647756502.db2.gz JMORWJVYFABBFD-NEPJUHHUSA-N 2 2 261.369 2.112 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000873281037 649624083 /nfs/dbraw/zinc/62/40/83/649624083.db2.gz XBQIKCUYFBGOJT-HUUCEWRRSA-N 2 2 266.429 2.335 20 30 CEEDLP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268747802 804957869 /nfs/dbraw/zinc/95/78/69/804957869.db2.gz CIMSGMYFPHADOS-CABCVRRESA-N 2 2 292.427 2.237 20 30 CEEDLP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268747802 804957874 /nfs/dbraw/zinc/95/78/74/804957874.db2.gz CIMSGMYFPHADOS-CABCVRRESA-N 2 2 292.427 2.237 20 30 CEEDLP C=CCCCCCCC[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001234999776 807758118 /nfs/dbraw/zinc/75/81/18/807758118.db2.gz UBPOLYTYHZUQGT-QGZVFWFLSA-N 2 2 296.455 2.204 20 30 CEEDLP C=CCCCCCCC[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001234999776 807758122 /nfs/dbraw/zinc/75/81/22/807758122.db2.gz UBPOLYTYHZUQGT-QGZVFWFLSA-N 2 2 296.455 2.204 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192892 809228779 /nfs/dbraw/zinc/22/87/79/809228779.db2.gz YSURCMHZEDJYTG-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192892 809228783 /nfs/dbraw/zinc/22/87/83/809228783.db2.gz YSURCMHZEDJYTG-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001044678668 811522719 /nfs/dbraw/zinc/52/27/19/811522719.db2.gz XXIBJSRRRHRMLE-KGLIPLIRSA-N 2 2 298.390 2.103 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206182555 815541548 /nfs/dbraw/zinc/54/15/48/815541548.db2.gz BHKXBWOSBLBPGN-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206182555 815541551 /nfs/dbraw/zinc/54/15/51/815541551.db2.gz BHKXBWOSBLBPGN-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134732050 813320909 /nfs/dbraw/zinc/32/09/09/813320909.db2.gz CIHBXBZLWWPFMM-RYUDHWBXSA-N 2 2 286.379 2.235 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080175 813363015 /nfs/dbraw/zinc/36/30/15/813363015.db2.gz MDVAMYDPLDFUDC-AWEZNQCLSA-N 2 2 292.427 2.041 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080175 813363019 /nfs/dbraw/zinc/36/30/19/813363019.db2.gz MDVAMYDPLDFUDC-AWEZNQCLSA-N 2 2 292.427 2.041 20 30 CEEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610445 813449174 /nfs/dbraw/zinc/44/91/74/813449174.db2.gz UGGZGYBVDLQXCJ-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610445 813449178 /nfs/dbraw/zinc/44/91/78/813449178.db2.gz UGGZGYBVDLQXCJ-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP CC(C)[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC001144169559 813980091 /nfs/dbraw/zinc/98/00/91/813980091.db2.gz LVAICCIRJNZSLI-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C)CC1 ZINC001144169559 813980095 /nfs/dbraw/zinc/98/00/95/813980095.db2.gz LVAICCIRJNZSLI-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP N#CCc1cc[nH+]c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736616 814205840 /nfs/dbraw/zinc/20/58/40/814205840.db2.gz DCJOGRFGRITZLB-WDEREUQCSA-N 2 2 284.285 2.100 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680333 /nfs/dbraw/zinc/68/03/33/815680333.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680335 /nfs/dbraw/zinc/68/03/35/815680335.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680339 /nfs/dbraw/zinc/68/03/39/815680339.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680346 /nfs/dbraw/zinc/68/03/46/815680346.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 2 261.413 2.485 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829276 816480157 /nfs/dbraw/zinc/48/01/57/816480157.db2.gz KEMTWNUOHXBCGI-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP CCCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001161226032 816809977 /nfs/dbraw/zinc/80/99/77/816809977.db2.gz BUGJOBBRUZSVQS-GJZGRUSLSA-N 2 2 283.460 2.275 20 30 CEEDLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000348226507 282150303 /nfs/dbraw/zinc/15/03/03/282150303.db2.gz CFSDNYAGNNTTSW-UHFFFAOYSA-N 2 2 278.425 2.330 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000037904717 361962078 /nfs/dbraw/zinc/96/20/78/361962078.db2.gz PVQQHRLORFEJAD-CYBMUJFWSA-N 2 2 273.355 2.271 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000037904717 361962085 /nfs/dbraw/zinc/96/20/85/361962085.db2.gz PVQQHRLORFEJAD-CYBMUJFWSA-N 2 2 273.355 2.271 20 30 CEEDLP CCNC(NC[C@@H](c1ccco1)[NH+](CC)CC)=[NH+]CC ZINC000066243817 343709946 /nfs/dbraw/zinc/70/99/46/343709946.db2.gz UKWSMTPKIOJIJH-ZDUSSCGKSA-N 2 2 280.416 2.238 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000602474747 347049087 /nfs/dbraw/zinc/04/90/87/347049087.db2.gz ZWNKIVCMMYZYHZ-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000602474747 347049090 /nfs/dbraw/zinc/04/90/90/347049090.db2.gz ZWNKIVCMMYZYHZ-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C[NH+]=C(NCC(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179225201 344504854 /nfs/dbraw/zinc/50/48/54/344504854.db2.gz VWLONUITCAUEIS-KBPBESRZSA-N 2 2 291.443 2.388 20 30 CEEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000165444348 344474326 /nfs/dbraw/zinc/47/43/26/344474326.db2.gz MEFPQBKEWQNYLT-UHFFFAOYSA-N 2 2 257.381 2.393 20 30 CEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506549 347060032 /nfs/dbraw/zinc/06/00/32/347060032.db2.gz DHFIMGYTOJCIAC-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506549 347060034 /nfs/dbraw/zinc/06/00/34/347060034.db2.gz DHFIMGYTOJCIAC-GJZGRUSLSA-N 2 2 279.428 2.159 20 30 CEEDLP CCCC[N@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602562831 347078301 /nfs/dbraw/zinc/07/83/01/347078301.db2.gz GYLZUGIJKXXWPW-OAHLLOKOSA-N 2 2 281.444 2.407 20 30 CEEDLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602562831 347078303 /nfs/dbraw/zinc/07/83/03/347078303.db2.gz GYLZUGIJKXXWPW-OAHLLOKOSA-N 2 2 281.444 2.407 20 30 CEEDLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C#N)c1 ZINC000591257542 345235175 /nfs/dbraw/zinc/23/51/75/345235175.db2.gz KESIZGWTKMDCDU-LBPRGKRZSA-N 2 2 283.379 2.209 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000592084918 345320584 /nfs/dbraw/zinc/32/05/84/345320584.db2.gz WRTLZEQFAPPPQN-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000592084918 345320587 /nfs/dbraw/zinc/32/05/87/345320587.db2.gz WRTLZEQFAPPPQN-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000592084918 345320591 /nfs/dbraw/zinc/32/05/91/345320591.db2.gz WRTLZEQFAPPPQN-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000592084918 345320594 /nfs/dbraw/zinc/32/05/94/345320594.db2.gz WRTLZEQFAPPPQN-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]1 ZINC000591570756 345264511 /nfs/dbraw/zinc/26/45/11/345264511.db2.gz JIILSEJPIQHCMY-CABCVRRESA-N 2 2 261.344 2.318 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000591576839 345265268 /nfs/dbraw/zinc/26/52/68/345265268.db2.gz HJBNLKKTXDPYPY-GDBMZVCRSA-N 2 2 255.365 2.277 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000591573333 345265388 /nfs/dbraw/zinc/26/53/88/345265388.db2.gz MIYLMERTMRCZNB-QMTHXVAHSA-N 2 2 263.772 2.442 20 30 CEEDLP C[C@]1(C#N)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000595842859 345896584 /nfs/dbraw/zinc/89/65/84/345896584.db2.gz VTJNYVQMFQLSKE-GOSISDBHSA-N 2 2 299.418 2.254 20 30 CEEDLP C[C@]1(C#N)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000595842859 345896586 /nfs/dbraw/zinc/89/65/86/345896586.db2.gz VTJNYVQMFQLSKE-GOSISDBHSA-N 2 2 299.418 2.254 20 30 CEEDLP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1C[NH+](C)C1 ZINC000597205910 346148390 /nfs/dbraw/zinc/14/83/90/346148390.db2.gz MPPSKWYXYNHCOW-UHFFFAOYSA-N 2 2 269.392 2.235 20 30 CEEDLP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1C[NH+](C)C1 ZINC000597205910 346148391 /nfs/dbraw/zinc/14/83/91/346148391.db2.gz MPPSKWYXYNHCOW-UHFFFAOYSA-N 2 2 269.392 2.235 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000600752827 346684418 /nfs/dbraw/zinc/68/44/18/346684418.db2.gz ZQSAJKGPPAUKCE-CVEARBPZSA-N 2 2 291.439 2.038 20 30 CEEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000600752827 346684422 /nfs/dbraw/zinc/68/44/22/346684422.db2.gz ZQSAJKGPPAUKCE-CVEARBPZSA-N 2 2 291.439 2.038 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730282 /nfs/dbraw/zinc/73/02/82/347730282.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730285 /nfs/dbraw/zinc/73/02/85/347730285.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730287 /nfs/dbraw/zinc/73/02/87/347730287.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730290 /nfs/dbraw/zinc/73/02/90/347730290.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000271815563 191345358 /nfs/dbraw/zinc/34/53/58/191345358.db2.gz BLKBQIRWZKBWSY-QGZVFWFLSA-N 2 2 299.418 2.149 20 30 CEEDLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000417350966 237088270 /nfs/dbraw/zinc/08/82/70/237088270.db2.gz BLOGQBAIMHACHN-UHFFFAOYSA-N 2 2 298.434 2.211 20 30 CEEDLP CCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000102653975 260606847 /nfs/dbraw/zinc/60/68/47/260606847.db2.gz KJNTWZYLSZAFJI-UHFFFAOYSA-N 2 2 261.369 2.329 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678718983 541166649 /nfs/dbraw/zinc/16/66/49/541166649.db2.gz SGPOQGYBRSTXJQ-ZBFHGGJFSA-N 2 2 293.455 2.145 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678718983 541166652 /nfs/dbraw/zinc/16/66/52/541166652.db2.gz SGPOQGYBRSTXJQ-ZBFHGGJFSA-N 2 2 293.455 2.145 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000237882540 370757634 /nfs/dbraw/zinc/75/76/34/370757634.db2.gz AUPJFUJNGZAECK-INIZCTEOSA-N 2 2 295.386 2.308 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000119987287 365356441 /nfs/dbraw/zinc/35/64/41/365356441.db2.gz JTQOUOYBPZMIEV-CQSZACIVSA-N 2 2 260.385 2.368 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000119987287 365356447 /nfs/dbraw/zinc/35/64/47/365356447.db2.gz JTQOUOYBPZMIEV-CQSZACIVSA-N 2 2 260.385 2.368 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(CC#N)cc1 ZINC000343692064 367957387 /nfs/dbraw/zinc/95/73/87/367957387.db2.gz ADAKALFGJBODLN-UHFFFAOYSA-N 2 2 268.364 2.471 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(CC#N)cc1 ZINC000343692064 367957389 /nfs/dbraw/zinc/95/73/89/367957389.db2.gz ADAKALFGJBODLN-UHFFFAOYSA-N 2 2 268.364 2.471 20 30 CEEDLP C=Cn1cc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cn1 ZINC000194299624 370023129 /nfs/dbraw/zinc/02/31/29/370023129.db2.gz JXSZBBJZMJCTCY-UHFFFAOYSA-N 2 2 260.385 2.114 20 30 CEEDLP C#CC[C@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000359973113 371495651 /nfs/dbraw/zinc/49/56/51/371495651.db2.gz IPNNVSQDJMNTDS-LBPRGKRZSA-N 2 2 277.437 2.411 20 30 CEEDLP C#CC[C@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000359973113 371495655 /nfs/dbraw/zinc/49/56/55/371495655.db2.gz IPNNVSQDJMNTDS-LBPRGKRZSA-N 2 2 277.437 2.411 20 30 CEEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264083286 371965165 /nfs/dbraw/zinc/96/51/65/371965165.db2.gz JAPDCKRTXXQMOK-CYBMUJFWSA-N 2 2 265.405 2.002 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264133690 371975751 /nfs/dbraw/zinc/97/57/51/371975751.db2.gz YZJURQZFGHPZCS-CYBMUJFWSA-N 2 2 278.400 2.143 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353390917 220058965 /nfs/dbraw/zinc/05/89/65/220058965.db2.gz VRTVCAPKKRWDJN-WBMJQRKESA-N 2 2 266.348 2.420 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150321 377225532 /nfs/dbraw/zinc/22/55/32/377225532.db2.gz NMMWMJLHFQYKGE-QGZVFWFLSA-N 2 2 272.367 2.205 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150321 377225543 /nfs/dbraw/zinc/22/55/43/377225543.db2.gz NMMWMJLHFQYKGE-QGZVFWFLSA-N 2 2 272.367 2.205 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150321 377225549 /nfs/dbraw/zinc/22/55/49/377225549.db2.gz NMMWMJLHFQYKGE-QGZVFWFLSA-N 2 2 272.367 2.205 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150321 377225556 /nfs/dbraw/zinc/22/55/56/377225556.db2.gz NMMWMJLHFQYKGE-QGZVFWFLSA-N 2 2 272.367 2.205 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000425538987 377369730 /nfs/dbraw/zinc/36/97/30/377369730.db2.gz SZZQYNANVYPHHJ-CYBMUJFWSA-N 2 2 254.337 2.448 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000425538987 377369738 /nfs/dbraw/zinc/36/97/38/377369738.db2.gz SZZQYNANVYPHHJ-CYBMUJFWSA-N 2 2 254.337 2.448 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857829 378023671 /nfs/dbraw/zinc/02/36/71/378023671.db2.gz BTFMSKRUTLNLRF-GFCCVEGCSA-N 2 2 295.814 2.349 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857829 378023678 /nfs/dbraw/zinc/02/36/78/378023678.db2.gz BTFMSKRUTLNLRF-GFCCVEGCSA-N 2 2 295.814 2.349 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000294889986 378025894 /nfs/dbraw/zinc/02/58/94/378025894.db2.gz DWQGHAOJKDCGEG-CQSZACIVSA-N 2 2 284.407 2.179 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000294889986 378025900 /nfs/dbraw/zinc/02/59/00/378025900.db2.gz DWQGHAOJKDCGEG-CQSZACIVSA-N 2 2 284.407 2.179 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449057577 378197855 /nfs/dbraw/zinc/19/78/55/378197855.db2.gz DDNAJIGMUJRWIV-AQFXKWCLSA-N 2 2 293.455 2.405 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449057577 378197858 /nfs/dbraw/zinc/19/78/58/378197858.db2.gz DDNAJIGMUJRWIV-AQFXKWCLSA-N 2 2 293.455 2.405 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000335281664 208090771 /nfs/dbraw/zinc/09/07/71/208090771.db2.gz JOUOTXJSVAQGRO-INIZCTEOSA-N 2 2 257.381 2.474 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000335281664 208090777 /nfs/dbraw/zinc/09/07/77/208090777.db2.gz JOUOTXJSVAQGRO-INIZCTEOSA-N 2 2 257.381 2.474 20 30 CEEDLP C=CCOCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000388454106 542370954 /nfs/dbraw/zinc/37/09/54/542370954.db2.gz ZBYJGAAPRPHIMB-UHFFFAOYSA-N 2 2 257.337 2.165 20 30 CEEDLP N#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002371 /nfs/dbraw/zinc/00/23/71/260002371.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002372 /nfs/dbraw/zinc/00/23/72/260002372.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002373 /nfs/dbraw/zinc/00/23/73/260002373.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002374 /nfs/dbraw/zinc/00/23/74/260002374.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 2 269.392 2.354 20 30 CEEDLP CC(C)CCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000104192042 394719452 /nfs/dbraw/zinc/71/94/52/394719452.db2.gz BLBNDIFDQANTSX-UHFFFAOYSA-N 2 2 277.416 2.224 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@@H]2SC)CC1 ZINC000362309031 394852699 /nfs/dbraw/zinc/85/26/99/394852699.db2.gz NTXBOXBOJJFLLF-RBSFLKMASA-N 2 2 284.469 2.135 20 30 CEEDLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)cc1F ZINC000423543805 394948909 /nfs/dbraw/zinc/94/89/09/394948909.db2.gz CEBMPLNRKJJASY-LLVKDONJSA-N 2 2 261.344 2.490 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000425530909 395061757 /nfs/dbraw/zinc/06/17/57/395061757.db2.gz GFGCYEXUCPJCAT-GUYCJALGSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000425530909 395061760 /nfs/dbraw/zinc/06/17/60/395061760.db2.gz GFGCYEXUCPJCAT-GUYCJALGSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000425530909 395061764 /nfs/dbraw/zinc/06/17/64/395061764.db2.gz GFGCYEXUCPJCAT-GUYCJALGSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000425530909 395061766 /nfs/dbraw/zinc/06/17/66/395061766.db2.gz GFGCYEXUCPJCAT-GUYCJALGSA-N 2 2 287.407 2.006 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000290425161 395102367 /nfs/dbraw/zinc/10/23/67/395102367.db2.gz RHTRPAGGRBFUFF-XJKSGUPXSA-N 2 2 254.377 2.383 20 30 CEEDLP C#Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000290425161 395102370 /nfs/dbraw/zinc/10/23/70/395102370.db2.gz RHTRPAGGRBFUFF-XJKSGUPXSA-N 2 2 254.377 2.383 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000290487861 395105875 /nfs/dbraw/zinc/10/58/75/395105875.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000290487861 395105876 /nfs/dbraw/zinc/10/58/76/395105876.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000290487861 395105881 /nfs/dbraw/zinc/10/58/81/395105881.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000290487861 395105884 /nfs/dbraw/zinc/10/58/84/395105884.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 2 254.377 2.194 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000349341202 395165868 /nfs/dbraw/zinc/16/58/68/395165868.db2.gz JWWNFSHEBDFMPQ-RDJZCZTQSA-N 2 2 284.407 2.328 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530218442 395455285 /nfs/dbraw/zinc/45/52/85/395455285.db2.gz WDXVIAKIOJMURZ-CVEARBPZSA-N 2 2 267.376 2.420 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737902 395560400 /nfs/dbraw/zinc/56/04/00/395560400.db2.gz VROJEQNQSKVZJZ-BZNIZROVSA-N 2 2 273.355 2.270 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737902 395560402 /nfs/dbraw/zinc/56/04/02/395560402.db2.gz VROJEQNQSKVZJZ-BZNIZROVSA-N 2 2 273.355 2.270 20 30 CEEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000174284630 165099652 /nfs/dbraw/zinc/09/96/52/165099652.db2.gz YISJIRLDMYGEOD-UHFFFAOYSA-N 2 2 293.330 2.330 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666766821 419421970 /nfs/dbraw/zinc/42/19/70/419421970.db2.gz GLRCYKDBWCABFC-OAHLLOKOSA-N 2 2 260.381 2.483 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666766944 419422481 /nfs/dbraw/zinc/42/24/81/419422481.db2.gz LKJDMXXIGZQKIJ-OAHLLOKOSA-N 2 2 260.381 2.483 20 30 CEEDLP C=CC[N@@H+](CCc1ccco1)CCc1c[nH+]cn1C ZINC000298275546 260149623 /nfs/dbraw/zinc/14/96/23/260149623.db2.gz GRLPHRFWXDIJSS-UHFFFAOYSA-N 2 2 259.353 2.286 20 30 CEEDLP C=CC[N@H+](CCc1ccco1)CCc1c[nH+]cn1C ZINC000298275546 260149625 /nfs/dbraw/zinc/14/96/25/260149625.db2.gz GRLPHRFWXDIJSS-UHFFFAOYSA-N 2 2 259.353 2.286 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000184092214 262008495 /nfs/dbraw/zinc/00/84/95/262008495.db2.gz JGYWXGCGUJBFPN-AWEZNQCLSA-N 2 2 272.396 2.328 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000192654449 262207019 /nfs/dbraw/zinc/20/70/19/262207019.db2.gz AHEPBTJTFNSTHQ-UKRRQHHQSA-N 2 2 281.363 2.439 20 30 CEEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)NC1CCCC1 ZINC000264133332 262878702 /nfs/dbraw/zinc/87/87/02/262878702.db2.gz YSLPJKWLHUXSSR-UHFFFAOYSA-N 2 2 285.395 2.342 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414944118 263154290 /nfs/dbraw/zinc/15/42/90/263154290.db2.gz NNMHOVKIKJMJDR-KRWDZBQOSA-N 2 2 290.407 2.110 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348111246 275427542 /nfs/dbraw/zinc/42/75/42/275427542.db2.gz OLRTUFQHCOQLTJ-OLZOCXBDSA-N 2 2 292.345 2.336 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000135094787 280037216 /nfs/dbraw/zinc/03/72/16/280037216.db2.gz BLNFYJTTYIDDFZ-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000135094787 280037218 /nfs/dbraw/zinc/03/72/18/280037218.db2.gz BLNFYJTTYIDDFZ-INIZCTEOSA-N 2 2 299.418 2.485 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000535045178 298181966 /nfs/dbraw/zinc/18/19/66/298181966.db2.gz ABJCIBUMGPCUOL-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000535045178 298181968 /nfs/dbraw/zinc/18/19/68/298181968.db2.gz ABJCIBUMGPCUOL-ZDUSSCGKSA-N 2 2 284.338 2.420 20 30 CEEDLP COCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000540746082 298268086 /nfs/dbraw/zinc/26/80/86/298268086.db2.gz PEXQKSKKWQBGFN-UHFFFAOYSA-N 2 2 299.418 2.291 20 30 CEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422994474 330163160 /nfs/dbraw/zinc/16/31/60/330163160.db2.gz HUGTWPZWBDYCJJ-OIISXLGYSA-N 2 2 287.407 2.388 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423109959 330170760 /nfs/dbraw/zinc/17/07/60/330170760.db2.gz UIYZZLPLFAIDJX-BBRMVZONSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000423168856 330174119 /nfs/dbraw/zinc/17/41/19/330174119.db2.gz YWSXNMBFOFPDQT-HZPDHXFCSA-N 2 2 278.440 2.480 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)(C)C ZINC000491670759 332278105 /nfs/dbraw/zinc/27/81/05/332278105.db2.gz RAZDEZFMXBDZRY-HNNXBMFYSA-N 2 2 294.439 2.042 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000491675795 332281387 /nfs/dbraw/zinc/28/13/87/332281387.db2.gz XVGNNYVRGNDTSJ-SFHVURJKSA-N 2 2 294.402 2.111 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000491675795 332281389 /nfs/dbraw/zinc/28/13/89/332281389.db2.gz XVGNNYVRGNDTSJ-SFHVURJKSA-N 2 2 294.402 2.111 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000581593598 336108608 /nfs/dbraw/zinc/10/86/08/336108608.db2.gz RLQVEBWMWZYWPC-UHFFFAOYSA-N 2 2 271.408 2.310 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000363384511 526710062 /nfs/dbraw/zinc/71/00/62/526710062.db2.gz LMYPMBUGRAPVSW-QZTJIDSGSA-N 2 2 299.418 2.149 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353678166 526873823 /nfs/dbraw/zinc/87/38/23/526873823.db2.gz ZWTJKDOIZZNUOU-DOTOQJQBSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353678166 526873824 /nfs/dbraw/zinc/87/38/24/526873824.db2.gz ZWTJKDOIZZNUOU-DOTOQJQBSA-N 2 2 272.392 2.435 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000733328643 574664377 /nfs/dbraw/zinc/66/43/77/574664377.db2.gz YISXXHCQYJVCPD-INIZCTEOSA-N 2 2 284.403 2.415 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000733328643 574664379 /nfs/dbraw/zinc/66/43/79/574664379.db2.gz YISXXHCQYJVCPD-INIZCTEOSA-N 2 2 284.403 2.415 20 30 CEEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237421 612957563 /nfs/dbraw/zinc/95/75/63/612957563.db2.gz ZFPDMVDOHIUELP-HZPDHXFCSA-N 2 2 299.418 2.271 20 30 CEEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969971870 613302907 /nfs/dbraw/zinc/30/29/07/613302907.db2.gz DXAFMYXIGAZYFO-LBPRGKRZSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001022461734 624137588 /nfs/dbraw/zinc/13/75/88/624137588.db2.gz UPLUVQGFSHALTO-OKILXGFUSA-N 2 2 273.380 2.043 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000925836822 628934353 /nfs/dbraw/zinc/93/43/53/628934353.db2.gz DJMWJZJTQXEWSA-HOTGVXAUSA-N 2 2 257.381 2.487 20 30 CEEDLP C[C@@H]([NH3+])[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1 ZINC000925893713 628987383 /nfs/dbraw/zinc/98/73/83/628987383.db2.gz QQAULALQIILRHT-CXAGYDPISA-N 2 2 295.390 2.043 20 30 CEEDLP C[C@H]([NH3+])[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1 ZINC000925893715 628987467 /nfs/dbraw/zinc/98/74/67/628987467.db2.gz QQAULALQIILRHT-GUYCJALGSA-N 2 2 295.390 2.043 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924984176 629321243 /nfs/dbraw/zinc/32/12/43/629321243.db2.gz OQPQHHUCSXOGQK-JKSUJKDBSA-N 2 2 266.429 2.288 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000924984275 629321259 /nfs/dbraw/zinc/32/12/59/629321259.db2.gz QWFZRMDCANZDPR-AWEZNQCLSA-N 2 2 259.397 2.253 20 30 CEEDLP C=C(C)CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000795213967 629480862 /nfs/dbraw/zinc/48/08/62/629480862.db2.gz FTVKQDNIQCFFSA-UHFFFAOYSA-N 2 2 261.369 2.351 20 30 CEEDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(C#N)ccn1 ZINC000902741571 634805289 /nfs/dbraw/zinc/80/52/89/634805289.db2.gz DNPUKSMXOZBRCI-ZDUSSCGKSA-N 2 2 295.390 2.379 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793314 634835412 /nfs/dbraw/zinc/83/54/12/634835412.db2.gz HEIMBFNOJLQJFQ-SQNIBIBYSA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000902793314 634835417 /nfs/dbraw/zinc/83/54/17/634835417.db2.gz HEIMBFNOJLQJFQ-SQNIBIBYSA-N 2 2 299.418 2.462 20 30 CEEDLP N#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000903564074 635163683 /nfs/dbraw/zinc/16/36/83/635163683.db2.gz PIFGLNLEJRSIPR-AWEZNQCLSA-N 2 2 255.365 2.068 20 30 CEEDLP N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000903564074 635163685 /nfs/dbraw/zinc/16/36/85/635163685.db2.gz PIFGLNLEJRSIPR-AWEZNQCLSA-N 2 2 255.365 2.068 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC000905096232 635830360 /nfs/dbraw/zinc/83/03/60/635830360.db2.gz KXTKQELTYUNILB-CYBMUJFWSA-N 2 2 294.361 2.320 20 30 CEEDLP C[C@H](C[NH2+]Cc1cc(C#N)cnc1Cl)C[NH+]1CCCC1 ZINC000876946816 650500845 /nfs/dbraw/zinc/50/08/45/650500845.db2.gz VQLPNQRFRMXMEV-GFCCVEGCSA-N 2 2 292.814 2.428 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000914580402 640438242 /nfs/dbraw/zinc/43/82/42/640438242.db2.gz LGKCPJUZIMBGON-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000914580402 640438247 /nfs/dbraw/zinc/43/82/47/640438247.db2.gz LGKCPJUZIMBGON-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845498205 640987434 /nfs/dbraw/zinc/98/74/34/640987434.db2.gz VZPHWMSQTRBXEM-LSDHHAIUSA-N 2 2 291.395 2.111 20 30 CEEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2csc(C#N)c2)C[C@@H](C)O1 ZINC000921508556 642039273 /nfs/dbraw/zinc/03/92/73/642039273.db2.gz OIJXCYGZKHBEDN-CHWSQXEVSA-N 2 2 293.436 2.209 20 30 CEEDLP CC[C@H](C)[NH2+][C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccco1 ZINC000849026567 642239728 /nfs/dbraw/zinc/23/97/28/642239728.db2.gz ATQWUUFEDAPXHO-STQMWFEESA-N 2 2 280.416 2.188 20 30 CEEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999110883 642460752 /nfs/dbraw/zinc/46/07/52/642460752.db2.gz POAIOGCMIJRJDD-UHFFFAOYSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921702874 642548614 /nfs/dbraw/zinc/54/86/14/642548614.db2.gz PCWCADWYSRWWLC-UHFFFAOYSA-N 2 2 288.439 2.423 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921703456 642549504 /nfs/dbraw/zinc/54/95/04/642549504.db2.gz WRWGFHJWDOQDMA-UHFFFAOYSA-N 2 2 272.392 2.362 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921703313 642549900 /nfs/dbraw/zinc/54/99/00/642549900.db2.gz SYWNJWHYTXIXMC-YQQAZPJKSA-N 2 2 278.440 2.432 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000877527254 650768525 /nfs/dbraw/zinc/76/85/25/650768525.db2.gz JQEJYEDZRYNFPC-UHFFFAOYSA-N 2 2 297.406 2.343 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000877527254 650768527 /nfs/dbraw/zinc/76/85/27/650768527.db2.gz JQEJYEDZRYNFPC-UHFFFAOYSA-N 2 2 297.406 2.343 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850470825 642721744 /nfs/dbraw/zinc/72/17/44/642721744.db2.gz HRHVUYSNJJJCPV-ZDUSSCGKSA-N 2 2 271.364 2.434 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850470825 642721748 /nfs/dbraw/zinc/72/17/48/642721748.db2.gz HRHVUYSNJJJCPV-ZDUSSCGKSA-N 2 2 271.364 2.434 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742433 650887696 /nfs/dbraw/zinc/88/76/96/650887696.db2.gz PKRZRTGCRBEHFY-CVEARBPZSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1C#N ZINC000877742433 650887699 /nfs/dbraw/zinc/88/76/99/650887699.db2.gz PKRZRTGCRBEHFY-CVEARBPZSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1C#N ZINC000877742433 650887702 /nfs/dbraw/zinc/88/77/02/650887702.db2.gz PKRZRTGCRBEHFY-CVEARBPZSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1C#N ZINC000877742433 650887704 /nfs/dbraw/zinc/88/77/04/650887704.db2.gz PKRZRTGCRBEHFY-CVEARBPZSA-N 2 2 285.391 2.093 20 30 CEEDLP C#CC[C@@H](CCOC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000862547833 646494422 /nfs/dbraw/zinc/49/44/22/646494422.db2.gz QMMJSYKFAVNAON-HNNXBMFYSA-N 2 2 287.407 2.068 20 30 CEEDLP C[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000863458842 646730883 /nfs/dbraw/zinc/73/08/83/646730883.db2.gz GSDSDIUSSSWQOB-RISCZKNCSA-N 2 2 261.369 2.041 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229174 647682602 /nfs/dbraw/zinc/68/26/02/647682602.db2.gz OBDBBHFFWSWOQJ-OLZOCXBDSA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229174 647682606 /nfs/dbraw/zinc/68/26/06/647682606.db2.gz OBDBBHFFWSWOQJ-OLZOCXBDSA-N 2 2 285.391 2.399 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N ZINC000872148974 649297797 /nfs/dbraw/zinc/29/77/97/649297797.db2.gz JNDGRSFPWNJWMH-KBPBESRZSA-N 2 2 297.324 2.436 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C#N ZINC000872148974 649297802 /nfs/dbraw/zinc/29/78/02/649297802.db2.gz JNDGRSFPWNJWMH-KBPBESRZSA-N 2 2 297.324 2.436 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128112904 651365308 /nfs/dbraw/zinc/36/53/08/651365308.db2.gz WPFKVOIWEVEULI-GHMZBOCLSA-N 2 2 259.191 2.111 20 30 CEEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128112904 651365310 /nfs/dbraw/zinc/36/53/10/651365310.db2.gz WPFKVOIWEVEULI-GHMZBOCLSA-N 2 2 259.191 2.111 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136386 651389277 /nfs/dbraw/zinc/38/92/77/651389277.db2.gz LAEDZNVXBIFKHP-CVEARBPZSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136386 651389278 /nfs/dbraw/zinc/38/92/78/651389278.db2.gz LAEDZNVXBIFKHP-CVEARBPZSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000880136386 651389279 /nfs/dbraw/zinc/38/92/79/651389279.db2.gz LAEDZNVXBIFKHP-CVEARBPZSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000880136386 651389280 /nfs/dbraw/zinc/38/92/80/651389280.db2.gz LAEDZNVXBIFKHP-CVEARBPZSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136387 651389683 /nfs/dbraw/zinc/38/96/83/651389683.db2.gz LAEDZNVXBIFKHP-HOTGVXAUSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136387 651389684 /nfs/dbraw/zinc/38/96/84/651389684.db2.gz LAEDZNVXBIFKHP-HOTGVXAUSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000880136387 651389686 /nfs/dbraw/zinc/38/96/86/651389686.db2.gz LAEDZNVXBIFKHP-HOTGVXAUSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000880136387 651389688 /nfs/dbraw/zinc/38/96/88/651389688.db2.gz LAEDZNVXBIFKHP-HOTGVXAUSA-N 2 2 291.439 2.255 20 30 CEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001205068556 807326696 /nfs/dbraw/zinc/32/66/96/807326696.db2.gz JXGKFCIYRXPBJA-FZMZJTMJSA-N 2 2 268.364 2.351 20 30 CEEDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001205068556 807326704 /nfs/dbraw/zinc/32/67/04/807326704.db2.gz JXGKFCIYRXPBJA-FZMZJTMJSA-N 2 2 268.364 2.351 20 30 CEEDLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC001119606190 815138031 /nfs/dbraw/zinc/13/80/31/815138031.db2.gz LVPLUQIIFBMKJF-ZDUSSCGKSA-N 2 2 258.369 2.090 20 30 CEEDLP CC(C)[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237461276 808220479 /nfs/dbraw/zinc/22/04/79/808220479.db2.gz ABXJJVFVETTZMF-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237461276 808220486 /nfs/dbraw/zinc/22/04/86/808220486.db2.gz ABXJJVFVETTZMF-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172295176 815386868 /nfs/dbraw/zinc/38/68/68/815386868.db2.gz PTWHETJRRWUXRH-XJKSGUPXSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172295176 815386874 /nfs/dbraw/zinc/38/68/74/815386874.db2.gz PTWHETJRRWUXRH-XJKSGUPXSA-N 2 2 257.381 2.173 20 30 CEEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416885 810835548 /nfs/dbraw/zinc/83/55/48/810835548.db2.gz PWTITZBSLMZWCW-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416885 810835555 /nfs/dbraw/zinc/83/55/55/810835555.db2.gz PWTITZBSLMZWCW-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C[NH+]1CCC2(CCN(c3cc(CC#N)cc[nH+]3)CC2)CC1 ZINC001156575375 811820208 /nfs/dbraw/zinc/82/02/08/811820208.db2.gz NPYQBYNDMNOALJ-UHFFFAOYSA-N 2 2 284.407 2.460 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270834 812654910 /nfs/dbraw/zinc/65/49/10/812654910.db2.gz SPNDBBGPXGQCHX-ZDUSSCGKSA-N 2 2 286.379 2.008 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227219 813235724 /nfs/dbraw/zinc/23/57/24/813235724.db2.gz CKWJZWVNGUDIQN-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001245981288 813658875 /nfs/dbraw/zinc/65/88/75/813658875.db2.gz ABFVQURJXREKLQ-HUUCEWRRSA-N 2 2 268.445 2.440 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001138560718 815829457 /nfs/dbraw/zinc/82/94/57/815829457.db2.gz JGYKTBDLTOMKID-UHFFFAOYSA-N 2 2 284.403 2.369 20 30 CEEDLP C#CC[NH+]1CCC(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000122391753 365628274 /nfs/dbraw/zinc/62/82/74/365628274.db2.gz SMXBAPXRKWKOEB-UHFFFAOYSA-N 2 2 285.391 2.291 20 30 CEEDLP CCNC(NC[C@@H](c1cccc(F)c1)[NH+](C)C)=[NH+]CC ZINC000066242775 343709459 /nfs/dbraw/zinc/70/94/59/343709459.db2.gz QBDSTSYKTGRHSW-AWEZNQCLSA-N 2 2 280.391 2.003 20 30 CEEDLP C[C@@H](CC#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000068610300 343769464 /nfs/dbraw/zinc/76/94/64/343769464.db2.gz IDRYKNFHJRFXKL-INIZCTEOSA-N 2 2 286.423 2.090 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093865898 344231582 /nfs/dbraw/zinc/23/15/82/344231582.db2.gz DFHSEOTZCAHRAK-HNNXBMFYSA-N 2 2 269.304 2.200 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093865898 344231584 /nfs/dbraw/zinc/23/15/84/344231584.db2.gz DFHSEOTZCAHRAK-HNNXBMFYSA-N 2 2 269.304 2.200 20 30 CEEDLP N#Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000602515203 347063772 /nfs/dbraw/zinc/06/37/72/347063772.db2.gz OMQLMKJLPLPXPS-UHFFFAOYSA-N 2 2 293.374 2.107 20 30 CEEDLP COC[C@@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]1 ZINC000591579390 345266268 /nfs/dbraw/zinc/26/62/68/345266268.db2.gz VLSUFYRVZBAWPI-ROUUACIJSA-N 2 2 299.418 2.294 20 30 CEEDLP Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)c(C#N)c[nH+]1 ZINC000596238130 345977287 /nfs/dbraw/zinc/97/72/87/345977287.db2.gz JHGLQIMQWDLXDO-UHFFFAOYSA-N 2 2 270.380 2.184 20 30 CEEDLP N#CC1(c2ccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000597008514 346114375 /nfs/dbraw/zinc/11/43/75/346114375.db2.gz LJRYUDTUDPISIV-DOTOQJQBSA-N 2 2 281.403 2.426 20 30 CEEDLP N#CC1(c2ccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000597008514 346114376 /nfs/dbraw/zinc/11/43/76/346114376.db2.gz LJRYUDTUDPISIV-DOTOQJQBSA-N 2 2 281.403 2.426 20 30 CEEDLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678143 346562072 /nfs/dbraw/zinc/56/20/72/346562072.db2.gz OWQCDMKFCLPGTM-UHFFFAOYSA-N 2 2 280.375 2.087 20 30 CEEDLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678143 346562074 /nfs/dbraw/zinc/56/20/74/346562074.db2.gz OWQCDMKFCLPGTM-UHFFFAOYSA-N 2 2 280.375 2.087 20 30 CEEDLP N#CCc1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599471845 346525878 /nfs/dbraw/zinc/52/58/78/346525878.db2.gz DHFSXKHJAPXDSM-UHFFFAOYSA-N 2 2 299.418 2.049 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630321 346549330 /nfs/dbraw/zinc/54/93/30/346549330.db2.gz MJOAFWLDXMUFNV-QGZVFWFLSA-N 2 2 299.418 2.248 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630321 346549335 /nfs/dbraw/zinc/54/93/35/346549335.db2.gz MJOAFWLDXMUFNV-QGZVFWFLSA-N 2 2 299.418 2.248 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000600710207 346675316 /nfs/dbraw/zinc/67/53/16/346675316.db2.gz MOURKRZASKOPFX-HRCADAONSA-N 2 2 255.365 2.276 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000602629358 347111228 /nfs/dbraw/zinc/11/12/28/347111228.db2.gz NIIDYRSFTSTFLD-AWEZNQCLSA-N 2 2 279.428 2.159 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1C1CC1 ZINC000404674741 233193929 /nfs/dbraw/zinc/19/39/29/233193929.db2.gz FSQCJKDBSBOUEC-FZMZJTMJSA-N 2 2 273.355 2.412 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1C1CC1 ZINC000404674741 233193931 /nfs/dbraw/zinc/19/39/31/233193931.db2.gz FSQCJKDBSBOUEC-FZMZJTMJSA-N 2 2 273.355 2.412 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000122826075 187054490 /nfs/dbraw/zinc/05/44/90/187054490.db2.gz FXMLEFHESDJYEI-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000122826075 187054491 /nfs/dbraw/zinc/05/44/91/187054491.db2.gz FXMLEFHESDJYEI-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000122826075 187054492 /nfs/dbraw/zinc/05/44/92/187054492.db2.gz FXMLEFHESDJYEI-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1ccc(C#N)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000122826075 187054493 /nfs/dbraw/zinc/05/44/93/187054493.db2.gz FXMLEFHESDJYEI-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193039 299244314 /nfs/dbraw/zinc/24/43/14/299244314.db2.gz RGPXWNRPMHOOKD-CXAGYDPISA-N 2 2 269.392 2.477 20 30 CEEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000570193039 299244311 /nfs/dbraw/zinc/24/43/11/299244311.db2.gz RGPXWNRPMHOOKD-CXAGYDPISA-N 2 2 269.392 2.477 20 30 CEEDLP FC(F)(F)c1ccc(C#CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000674249351 540736372 /nfs/dbraw/zinc/73/63/72/540736372.db2.gz PVXSZBXRWOZOPH-ZIAGYGMSSA-N 2 2 294.320 2.208 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638977 364204728 /nfs/dbraw/zinc/20/47/28/364204728.db2.gz INNKDRAZNNRSFC-DOMZBBRYSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638977 364204734 /nfs/dbraw/zinc/20/47/34/364204734.db2.gz INNKDRAZNNRSFC-DOMZBBRYSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638977 364204737 /nfs/dbraw/zinc/20/47/37/364204737.db2.gz INNKDRAZNNRSFC-DOMZBBRYSA-N 2 2 261.369 2.313 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000093638977 364204739 /nfs/dbraw/zinc/20/47/39/364204739.db2.gz INNKDRAZNNRSFC-DOMZBBRYSA-N 2 2 261.369 2.313 20 30 CEEDLP C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000340880753 367070981 /nfs/dbraw/zinc/07/09/81/367070981.db2.gz CMLCPNKEPKYVRE-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000340880753 367070986 /nfs/dbraw/zinc/07/09/86/367070986.db2.gz CMLCPNKEPKYVRE-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000340880753 367070988 /nfs/dbraw/zinc/07/09/88/367070988.db2.gz CMLCPNKEPKYVRE-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340880753 367070991 /nfs/dbraw/zinc/07/09/91/367070991.db2.gz CMLCPNKEPKYVRE-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000341470886 367347778 /nfs/dbraw/zinc/34/77/78/367347778.db2.gz BUJGPEMLDMMFMJ-BBRMVZONSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000341470886 367347784 /nfs/dbraw/zinc/34/77/84/367347784.db2.gz BUJGPEMLDMMFMJ-BBRMVZONSA-N 2 2 269.392 2.316 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245820658 370877395 /nfs/dbraw/zinc/87/73/95/370877395.db2.gz DWQNPBOESZQGBY-HUUCEWRRSA-N 2 2 285.395 2.118 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245820658 370877401 /nfs/dbraw/zinc/87/74/01/370877401.db2.gz DWQNPBOESZQGBY-HUUCEWRRSA-N 2 2 285.395 2.118 20 30 CEEDLP C[C@H](C[NH2+]Cc1cc(C#N)cs1)Cn1cc[nH+]c1 ZINC000177692016 368279825 /nfs/dbraw/zinc/27/98/25/368279825.db2.gz ZKKBWDZFRKINQF-LLVKDONJSA-N 2 2 260.366 2.242 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1C1CC1 ZINC000179880499 368357140 /nfs/dbraw/zinc/35/71/40/368357140.db2.gz WMKBIGPKDXIAAO-DZGCQCFKSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1C1CC1 ZINC000179880499 368357146 /nfs/dbraw/zinc/35/71/46/368357146.db2.gz WMKBIGPKDXIAAO-DZGCQCFKSA-N 2 2 285.391 2.304 20 30 CEEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000181074956 368418960 /nfs/dbraw/zinc/41/89/60/368418960.db2.gz HUHOJGLFOGZKCQ-UHFFFAOYSA-N 2 2 271.339 2.396 20 30 CEEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000181074956 368418965 /nfs/dbraw/zinc/41/89/65/368418965.db2.gz HUHOJGLFOGZKCQ-UHFFFAOYSA-N 2 2 271.339 2.396 20 30 CEEDLP C=CC[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000195028358 370097616 /nfs/dbraw/zinc/09/76/16/370097616.db2.gz KDQGZNZSFHYWMO-INIZCTEOSA-N 2 2 297.406 2.134 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638525582 370591683 /nfs/dbraw/zinc/59/16/83/370591683.db2.gz YYPOPSVLRZBAFV-AWEZNQCLSA-N 2 2 289.423 2.261 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000248909823 371268159 /nfs/dbraw/zinc/26/81/59/371268159.db2.gz XTPJZKBDLXUSFF-XJKSGUPXSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000248909823 371268160 /nfs/dbraw/zinc/26/81/60/371268160.db2.gz XTPJZKBDLXUSFF-XJKSGUPXSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147435 372089158 /nfs/dbraw/zinc/08/91/58/372089158.db2.gz VNHMDICLROJURQ-BLLLJJGKSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147435 372089165 /nfs/dbraw/zinc/08/91/65/372089165.db2.gz VNHMDICLROJURQ-BLLLJJGKSA-N 2 2 255.365 2.131 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000268732124 372197572 /nfs/dbraw/zinc/19/75/72/372197572.db2.gz XPDCGUXMJCGCDF-MRXNPFEDSA-N 2 2 296.374 2.194 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000641769422 372711076 /nfs/dbraw/zinc/71/10/76/372711076.db2.gz VKVPDXNRLMYTAS-RYQLBKOJSA-N 2 2 286.419 2.186 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000641769422 372711082 /nfs/dbraw/zinc/71/10/82/372711082.db2.gz VKVPDXNRLMYTAS-RYQLBKOJSA-N 2 2 286.419 2.186 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272706401 373624225 /nfs/dbraw/zinc/62/42/25/373624225.db2.gz ZUPFEZIWVDCORU-RDJZCZTQSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272706401 373624226 /nfs/dbraw/zinc/62/42/26/373624226.db2.gz ZUPFEZIWVDCORU-RDJZCZTQSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272706401 373624228 /nfs/dbraw/zinc/62/42/28/373624228.db2.gz ZUPFEZIWVDCORU-RDJZCZTQSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272706401 373624230 /nfs/dbraw/zinc/62/42/30/373624230.db2.gz ZUPFEZIWVDCORU-RDJZCZTQSA-N 2 2 284.403 2.225 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1C#N ZINC000371292699 373832396 /nfs/dbraw/zinc/83/23/96/373832396.db2.gz DCWRWGUUZQZHNL-FGTMMUONSA-N 2 2 299.418 2.242 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C#N ZINC000371292699 373832401 /nfs/dbraw/zinc/83/24/01/373832401.db2.gz DCWRWGUUZQZHNL-FGTMMUONSA-N 2 2 299.418 2.242 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000371642885 373939589 /nfs/dbraw/zinc/93/95/89/373939589.db2.gz RPOHBXMHIJJDKO-DOTOQJQBSA-N 2 2 274.408 2.299 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000371642885 373939595 /nfs/dbraw/zinc/93/95/95/373939595.db2.gz RPOHBXMHIJJDKO-DOTOQJQBSA-N 2 2 274.408 2.299 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684377256 541988402 /nfs/dbraw/zinc/98/84/02/541988402.db2.gz SQJBJJFNDCJKKP-HUUCEWRRSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2C(C)C)CC1 ZINC000280763881 375313391 /nfs/dbraw/zinc/31/33/91/375313391.db2.gz DQMNYCOWPRCIIX-UHFFFAOYSA-N 2 2 262.401 2.204 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000282244628 375436827 /nfs/dbraw/zinc/43/68/27/375436827.db2.gz JFWAKWOIOKYULI-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000282244628 375436838 /nfs/dbraw/zinc/43/68/38/375436838.db2.gz JFWAKWOIOKYULI-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000282244628 375436847 /nfs/dbraw/zinc/43/68/47/375436847.db2.gz JFWAKWOIOKYULI-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000282244628 375436857 /nfs/dbraw/zinc/43/68/57/375436857.db2.gz JFWAKWOIOKYULI-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000286217803 375875039 /nfs/dbraw/zinc/87/50/39/375875039.db2.gz SHGZWDYTMBDHEW-CQSZACIVSA-N 2 2 286.423 2.067 20 30 CEEDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCC[NH2+]1 ZINC000423412672 377269987 /nfs/dbraw/zinc/26/99/87/377269987.db2.gz IMLJZSHMWTVBMY-WBMJQRKESA-N 2 2 291.370 2.117 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000292983141 377382248 /nfs/dbraw/zinc/38/22/48/377382248.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C#N ZINC000292983141 377382256 /nfs/dbraw/zinc/38/22/56/377382256.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000292983141 377382268 /nfs/dbraw/zinc/38/22/68/377382268.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000292983141 377382278 /nfs/dbraw/zinc/38/22/78/377382278.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP C=CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687043 377809140 /nfs/dbraw/zinc/80/91/40/377809140.db2.gz BXIUNZKNUCIYQP-GFCCVEGCSA-N 2 2 263.410 2.273 20 30 CEEDLP C=CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687043 377809143 /nfs/dbraw/zinc/80/91/43/377809143.db2.gz BXIUNZKNUCIYQP-GFCCVEGCSA-N 2 2 263.410 2.273 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268149362 190381008 /nfs/dbraw/zinc/38/10/08/190381008.db2.gz WDJCSTPYSBYGKH-KDOFPFPSSA-N 2 2 284.403 2.271 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268149362 190381009 /nfs/dbraw/zinc/38/10/09/190381009.db2.gz WDJCSTPYSBYGKH-KDOFPFPSSA-N 2 2 284.403 2.271 20 30 CEEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000041119553 394500145 /nfs/dbraw/zinc/50/01/45/394500145.db2.gz COEKOVREOKWZMJ-ZDUSSCGKSA-N 2 2 270.336 2.136 20 30 CEEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccccc1 ZINC000262148905 394613700 /nfs/dbraw/zinc/61/37/00/394613700.db2.gz QVRIJBPIBOZNQJ-UHFFFAOYSA-N 2 2 269.352 2.146 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147436 394690027 /nfs/dbraw/zinc/69/00/27/394690027.db2.gz VNHMDICLROJURQ-LRDDRELGSA-N 2 2 255.365 2.131 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000268147436 394690030 /nfs/dbraw/zinc/69/00/30/394690030.db2.gz VNHMDICLROJURQ-LRDDRELGSA-N 2 2 255.365 2.131 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000271240384 394753263 /nfs/dbraw/zinc/75/32/63/394753263.db2.gz YGBHOZLOMJJUDK-UHFFFAOYSA-N 2 2 290.342 2.366 20 30 CEEDLP C=CCOCC[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103083 394944430 /nfs/dbraw/zinc/94/44/30/394944430.db2.gz NUUQKIBNSYLQFC-IAGOWNOFSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000339103083 394944434 /nfs/dbraw/zinc/94/44/34/394944434.db2.gz NUUQKIBNSYLQFC-IAGOWNOFSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000339103083 394944438 /nfs/dbraw/zinc/94/44/38/394944438.db2.gz NUUQKIBNSYLQFC-IAGOWNOFSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCOCC[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000339103083 394944442 /nfs/dbraw/zinc/94/44/42/394944442.db2.gz NUUQKIBNSYLQFC-IAGOWNOFSA-N 2 2 289.423 2.209 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000286084769 395010145 /nfs/dbraw/zinc/01/01/45/395010145.db2.gz MLNVSIUSNJLBGJ-GJZGRUSLSA-N 2 2 278.396 2.333 20 30 CEEDLP C#CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285544342 394958344 /nfs/dbraw/zinc/95/83/44/394958344.db2.gz LULQNUXDXSIDBA-KRWDZBQOSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285544342 394958346 /nfs/dbraw/zinc/95/83/46/394958346.db2.gz LULQNUXDXSIDBA-KRWDZBQOSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285544342 394958349 /nfs/dbraw/zinc/95/83/49/394958349.db2.gz LULQNUXDXSIDBA-KRWDZBQOSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285544342 394958352 /nfs/dbraw/zinc/95/83/52/394958352.db2.gz LULQNUXDXSIDBA-KRWDZBQOSA-N 2 2 254.377 2.218 20 30 CEEDLP Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425200279 395051791 /nfs/dbraw/zinc/05/17/91/395051791.db2.gz KJWQBRMZHDTGLM-QGZVFWFLSA-N 2 2 294.402 2.268 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373209209 395056746 /nfs/dbraw/zinc/05/67/46/395056746.db2.gz VTHKPMDJINNZLP-ZJIFWQFVSA-N 2 2 279.428 2.158 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373209209 395056747 /nfs/dbraw/zinc/05/67/47/395056747.db2.gz VTHKPMDJINNZLP-ZJIFWQFVSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350294 395099551 /nfs/dbraw/zinc/09/95/51/395099551.db2.gz FZVFUSNKUPYLID-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)cc1F ZINC000290350294 395099557 /nfs/dbraw/zinc/09/95/57/395099557.db2.gz FZVFUSNKUPYLID-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000290350294 395099560 /nfs/dbraw/zinc/09/95/60/395099560.db2.gz FZVFUSNKUPYLID-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000290350294 395099566 /nfs/dbraw/zinc/09/95/66/395099566.db2.gz FZVFUSNKUPYLID-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000376167472 395111290 /nfs/dbraw/zinc/11/12/90/395111290.db2.gz RDPZECAKTDJVHD-HMDCTGQHSA-N 2 2 291.439 2.300 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000346853002 395111316 /nfs/dbraw/zinc/11/13/16/395111316.db2.gz XOJRVKYXCRYXTD-HZPDHXFCSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000346853002 395111320 /nfs/dbraw/zinc/11/13/20/395111320.db2.gz XOJRVKYXCRYXTD-HZPDHXFCSA-N 2 2 290.407 2.190 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000376167472 395111297 /nfs/dbraw/zinc/11/12/97/395111297.db2.gz RDPZECAKTDJVHD-HMDCTGQHSA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000344289599 287047975 /nfs/dbraw/zinc/04/79/75/287047975.db2.gz LGJHHDSELPSOQM-LSDHHAIUSA-N 2 2 287.407 2.320 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294989 415299846 /nfs/dbraw/zinc/29/98/46/415299846.db2.gz QJULQJSDAROOAS-SQWLQELKSA-N 2 2 266.429 2.430 20 30 CEEDLP C=CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccco1 ZINC000665292706 415680701 /nfs/dbraw/zinc/68/07/01/415680701.db2.gz HWZFOVVJZJOYPP-LBPRGKRZSA-N 2 2 288.351 2.031 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666943508 419485866 /nfs/dbraw/zinc/48/58/66/419485866.db2.gz QJNLDKJOPCSIPO-KBPBESRZSA-N 2 2 264.344 2.041 20 30 CEEDLP CC[NH+]=C(NCC(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160118362 261205090 /nfs/dbraw/zinc/20/50/90/261205090.db2.gz KTXCANKBVKXZBG-LSDHHAIUSA-N 2 2 291.443 2.388 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705314 262264042 /nfs/dbraw/zinc/26/40/42/262264042.db2.gz QGXLXCXZEKZBJS-MRXNPFEDSA-N 2 2 265.360 2.391 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705314 262264044 /nfs/dbraw/zinc/26/40/44/262264044.db2.gz QGXLXCXZEKZBJS-MRXNPFEDSA-N 2 2 265.360 2.391 20 30 CEEDLP N#CCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000366755053 263371557 /nfs/dbraw/zinc/37/15/57/263371557.db2.gz GUQLLHUJGCCKLR-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989635 267623619 /nfs/dbraw/zinc/62/36/19/267623619.db2.gz LJKWRQGGLAZZSS-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989635 267623623 /nfs/dbraw/zinc/62/36/23/267623623.db2.gz LJKWRQGGLAZZSS-JKSUJKDBSA-N 2 2 295.471 2.216 20 30 CEEDLP CCC(CC)[C@@H](CNc1cc(C)[nH+]cc1C#N)[NH+](C)C ZINC000425201890 271138235 /nfs/dbraw/zinc/13/82/35/271138235.db2.gz BSDDCVZOUMTTBZ-MRXNPFEDSA-N 2 2 274.412 2.462 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353554362 276895039 /nfs/dbraw/zinc/89/50/39/276895039.db2.gz WHRLQDQCDGXAAT-OAHLLOKOSA-N 2 2 294.439 2.348 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687211 278372712 /nfs/dbraw/zinc/37/27/12/278372712.db2.gz NOARUWQBFARPJK-IUODEOHRSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687211 278372714 /nfs/dbraw/zinc/37/27/14/278372714.db2.gz NOARUWQBFARPJK-IUODEOHRSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000336565664 278375942 /nfs/dbraw/zinc/37/59/42/278375942.db2.gz GCOUAGUNMHYZBY-BXUZGUMPSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000336565664 278375943 /nfs/dbraw/zinc/37/59/43/278375943.db2.gz GCOUAGUNMHYZBY-BXUZGUMPSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353390916 279388559 /nfs/dbraw/zinc/38/85/59/279388559.db2.gz VRTVCAPKKRWDJN-MLGOLLRUSA-N 2 2 266.348 2.420 20 30 CEEDLP CN(C(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CC1 ZINC000262176972 328146492 /nfs/dbraw/zinc/14/64/92/328146492.db2.gz DGJYIXXCBOLVBO-CQSZACIVSA-N 2 2 290.411 2.216 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422913681 330160245 /nfs/dbraw/zinc/16/02/45/330160245.db2.gz ZCRNOBSHASKFJX-HIFRSBDPSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCC[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230427 330180702 /nfs/dbraw/zinc/18/07/02/330180702.db2.gz JGQXEKDPDBCFIP-ZDUSSCGKSA-N 2 2 260.385 2.258 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453258570 331108451 /nfs/dbraw/zinc/10/84/51/331108451.db2.gz HVDFQBMMYRHBJS-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453258570 331108452 /nfs/dbraw/zinc/10/84/52/331108452.db2.gz HVDFQBMMYRHBJS-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C#CC[NH+]1CCC(C(=O)OCc2ccc(C)[nH+]c2C)CC1 ZINC000490853479 332121032 /nfs/dbraw/zinc/12/10/32/332121032.db2.gz RRMVMCIWKZYMIH-UHFFFAOYSA-N 2 2 286.375 2.087 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CC(OC)C1)C(C)C ZINC000347214748 527650469 /nfs/dbraw/zinc/65/04/69/527650469.db2.gz IOKBHCDADNXDFS-UYSNPLJNSA-N 2 2 266.429 2.452 20 30 CEEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCC#N)sc2C1 ZINC000344368279 529085187 /nfs/dbraw/zinc/08/51/87/529085187.db2.gz VQMBTMWWGOVHAN-UHFFFAOYSA-N 2 2 278.425 2.303 20 30 CEEDLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCC#N)sc2C1 ZINC000344368279 529085190 /nfs/dbraw/zinc/08/51/90/529085190.db2.gz VQMBTMWWGOVHAN-UHFFFAOYSA-N 2 2 278.425 2.303 20 30 CEEDLP C#CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000733325186 574663964 /nfs/dbraw/zinc/66/39/64/574663964.db2.gz CIXJJNPDDOAMFB-UHFFFAOYSA-N 2 2 283.375 2.465 20 30 CEEDLP C=CC[NH+]1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000742403908 575020178 /nfs/dbraw/zinc/02/01/78/575020178.db2.gz JFGGLHVVWAFHDF-UHFFFAOYSA-N 2 2 287.411 2.139 20 30 CEEDLP CCC[C@@]1(C)CCCN(C(NCC[NH+]2CCC2)=[NH+]C)C1 ZINC000261913402 623616491 /nfs/dbraw/zinc/61/64/91/623616491.db2.gz JPACCPQFOIJDCO-INIZCTEOSA-N 2 2 280.460 2.170 20 30 CEEDLP C=C(Br)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308555353 623855265 /nfs/dbraw/zinc/85/52/65/623855265.db2.gz ZKTKBNBVWQXBTG-UHFFFAOYSA-N 2 2 259.191 2.111 20 30 CEEDLP C=C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925635747 628333492 /nfs/dbraw/zinc/33/34/92/628333492.db2.gz OTFQNRQGUYDCKG-SMLCLMEVSA-N 2 2 254.377 2.286 20 30 CEEDLP C=C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925635741 628333771 /nfs/dbraw/zinc/33/37/71/628333771.db2.gz OTFQNRQGUYDCKG-DMRKSPOLSA-N 2 2 254.377 2.286 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477970 634668676 /nfs/dbraw/zinc/66/86/76/634668676.db2.gz VZAIEFOWBZMXBI-MXASKKJJSA-N 2 2 267.376 2.418 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988845591 631700467 /nfs/dbraw/zinc/70/04/67/631700467.db2.gz SZWAXAFKCHVLJJ-DOMZBBRYSA-N 2 2 298.390 2.021 20 30 CEEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000900141665 633469135 /nfs/dbraw/zinc/46/91/35/633469135.db2.gz MMRUAKFWQXTPFM-UHFFFAOYSA-N 2 2 284.363 2.319 20 30 CEEDLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000817932574 633785947 /nfs/dbraw/zinc/78/59/47/633785947.db2.gz UACDFVXSVCOTNY-DYVFJYSZSA-N 2 2 280.375 2.001 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000817952478 633797686 /nfs/dbraw/zinc/79/76/86/633797686.db2.gz QZEIAXMGEFTVGD-DZGCQCFKSA-N 2 2 258.365 2.101 20 30 CEEDLP C#CCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000824926181 635527196 /nfs/dbraw/zinc/52/71/96/635527196.db2.gz LVQSUZWQWCKTMG-UHFFFAOYSA-N 2 2 295.386 2.449 20 30 CEEDLP C#CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000830352008 637046611 /nfs/dbraw/zinc/04/66/11/637046611.db2.gz YGHRZEZUGRELEH-UHFFFAOYSA-N 2 2 298.430 2.364 20 30 CEEDLP C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000843423593 640424418 /nfs/dbraw/zinc/42/44/18/640424418.db2.gz OXIOTPYLNZJRAP-CYBMUJFWSA-N 2 2 277.437 2.440 20 30 CEEDLP C#CC[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000843423593 640424420 /nfs/dbraw/zinc/42/44/20/640424420.db2.gz OXIOTPYLNZJRAP-CYBMUJFWSA-N 2 2 277.437 2.440 20 30 CEEDLP Cc1[nH+]c(C=NNCC[NH+]2CCCCC2)c2ccccn12 ZINC000915974405 640712545 /nfs/dbraw/zinc/71/25/45/640712545.db2.gz SQPDBAZZTOBJDY-UHFFFAOYSA-N 2 2 285.395 2.052 20 30 CEEDLP CCC(=[NH+]NCCCn1cc[nH+]c1)c1cccc(N)c1 ZINC000848416892 641985165 /nfs/dbraw/zinc/98/51/65/641985165.db2.gz CCGDCCBJLKNJJN-UHFFFAOYSA-N 2 2 271.368 2.259 20 30 CEEDLP C#CCCCOc1ccc[nH+]c1NC[C@@H](C)C[NH+](C)C ZINC000853642908 643843293 /nfs/dbraw/zinc/84/32/93/643843293.db2.gz NSZUDANPZQHLSK-CQSZACIVSA-N 2 2 275.396 2.483 20 30 CEEDLP FC1(F)CC[NH+](CC#CC[NH+]2CCC(F)(F)CC2)CC1 ZINC000792883213 648684745 /nfs/dbraw/zinc/68/47/45/648684745.db2.gz XLBACQMOQLRTCM-UHFFFAOYSA-N 2 2 292.320 2.452 20 30 CEEDLP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000872139846 649290009 /nfs/dbraw/zinc/29/00/09/649290009.db2.gz RBFLEFBBYMDBIU-BFYDXBDKSA-N 2 2 276.424 2.021 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143146 651391677 /nfs/dbraw/zinc/39/16/77/651391677.db2.gz YKXNJCKZPCZGEN-DLBZAZTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccc(C#N)cc1 ZINC000880143146 651391679 /nfs/dbraw/zinc/39/16/79/651391679.db2.gz YKXNJCKZPCZGEN-DLBZAZTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccc(C#N)cc1 ZINC000880143146 651391680 /nfs/dbraw/zinc/39/16/80/651391680.db2.gz YKXNJCKZPCZGEN-DLBZAZTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC000880143146 651391682 /nfs/dbraw/zinc/39/16/82/651391682.db2.gz YKXNJCKZPCZGEN-DLBZAZTESA-N 2 2 269.392 2.269 20 30 CEEDLP C[C@@H](C#N)OCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569869 651462029 /nfs/dbraw/zinc/46/20/29/651462029.db2.gz QZFHVSRKYLZTQJ-HOCLYGCPSA-N 2 2 284.363 2.143 20 30 CEEDLP Cc1[nH+]c(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1CC#N ZINC001164771246 721300009 /nfs/dbraw/zinc/30/00/09/721300009.db2.gz YYTACRHWMUIHCN-UHFFFAOYSA-N 2 2 296.418 2.378 20 30 CEEDLP Cc1[nH+]c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc1CC#N ZINC001164771246 721300011 /nfs/dbraw/zinc/30/00/11/721300011.db2.gz YYTACRHWMUIHCN-UHFFFAOYSA-N 2 2 296.418 2.378 20 30 CEEDLP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266552157 802708339 /nfs/dbraw/zinc/70/83/39/802708339.db2.gz OCTVWEGBRREHDL-AWEZNQCLSA-N 2 2 292.427 2.113 20 30 CEEDLP C=CCO[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370895 815216286 /nfs/dbraw/zinc/21/62/86/815216286.db2.gz JASZLZFKGSCUNO-KBPBESRZSA-N 2 2 254.418 2.417 20 30 CEEDLP C=CCO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC001120370895 815216281 /nfs/dbraw/zinc/21/62/81/815216281.db2.gz JASZLZFKGSCUNO-KBPBESRZSA-N 2 2 254.418 2.417 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172293337 815383204 /nfs/dbraw/zinc/38/32/04/815383204.db2.gz VPVFAVPEUWORKA-CQSZACIVSA-N 2 2 259.397 2.421 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699478 810881438 /nfs/dbraw/zinc/88/14/38/810881438.db2.gz OREIRSPNNICDFW-OAHLLOKOSA-N 2 2 298.390 2.057 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699478 810881446 /nfs/dbraw/zinc/88/14/46/810881446.db2.gz OREIRSPNNICDFW-OAHLLOKOSA-N 2 2 298.390 2.057 20 30 CEEDLP C[C@@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172487329 815430040 /nfs/dbraw/zinc/43/00/40/815430040.db2.gz ARTMXLJDWFVFPI-XJKSGUPXSA-N 2 2 257.381 2.454 20 30 CEEDLP C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172487329 815430042 /nfs/dbraw/zinc/43/00/42/815430042.db2.gz ARTMXLJDWFVFPI-XJKSGUPXSA-N 2 2 257.381 2.454 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136130 813373677 /nfs/dbraw/zinc/37/36/77/813373677.db2.gz GDLJFQRNFWUCFT-GJZGRUSLSA-N 2 2 292.427 2.112 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031773 813589328 /nfs/dbraw/zinc/58/93/28/813589328.db2.gz PUDNCQKAIVBBMH-STQMWFEESA-N 2 2 292.427 2.100 20 30 CEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174588872 816038959 /nfs/dbraw/zinc/03/89/59/816038959.db2.gz STWAVZRKFPPXFM-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121593876 365592185 /nfs/dbraw/zinc/59/21/85/365592185.db2.gz YIEHLYAZRQAPHB-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121593876 365592189 /nfs/dbraw/zinc/59/21/89/365592189.db2.gz YIEHLYAZRQAPHB-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121593876 365592191 /nfs/dbraw/zinc/59/21/91/365592191.db2.gz YIEHLYAZRQAPHB-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121593876 365592193 /nfs/dbraw/zinc/59/21/93/365592193.db2.gz YIEHLYAZRQAPHB-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077218262 343911888 /nfs/dbraw/zinc/91/18/88/343911888.db2.gz CUKWECMWDXTOLH-UHFFFAOYSA-N 2 2 298.394 2.115 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000602567829 347081807 /nfs/dbraw/zinc/08/18/07/347081807.db2.gz GVPZZMVSZAVREN-LZWOXQAQSA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000602567829 347081809 /nfs/dbraw/zinc/08/18/09/347081809.db2.gz GVPZZMVSZAVREN-LZWOXQAQSA-N 2 2 291.439 2.158 20 30 CEEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573279 345265193 /nfs/dbraw/zinc/26/51/93/345265193.db2.gz FPHKLMXFNCJBGL-BXUZGUMPSA-N 2 2 293.798 2.068 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@@H](C#N)C3)cn21 ZINC000592402398 345350587 /nfs/dbraw/zinc/35/05/87/345350587.db2.gz HRLFNOVNZSFTGN-KGLIPLIRSA-N 2 2 268.364 2.467 20 30 CEEDLP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693384 345522283 /nfs/dbraw/zinc/52/22/83/345522283.db2.gz WZVJUDQUBWXAHN-KBXCAEBGSA-N 2 2 299.418 2.290 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476877 /nfs/dbraw/zinc/47/68/77/539476877.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 3 2 277.456 2.243 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476881 /nfs/dbraw/zinc/47/68/81/539476881.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 3 2 277.456 2.243 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863262 345901344 /nfs/dbraw/zinc/90/13/44/345901344.db2.gz MHDFEBRPBRMEEW-KDOFPFPSSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863262 345901347 /nfs/dbraw/zinc/90/13/47/345901347.db2.gz MHDFEBRPBRMEEW-KDOFPFPSSA-N 2 2 299.418 2.150 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676562 346561557 /nfs/dbraw/zinc/56/15/57/346561557.db2.gz BMRQOKRXMAKLID-UHFFFAOYSA-N 2 2 294.402 2.477 20 30 CEEDLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676562 346561559 /nfs/dbraw/zinc/56/15/59/346561559.db2.gz BMRQOKRXMAKLID-UHFFFAOYSA-N 2 2 294.402 2.477 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993984 347729088 /nfs/dbraw/zinc/72/90/88/347729088.db2.gz PQMVNLONXBPZQW-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993984 347729093 /nfs/dbraw/zinc/72/90/93/347729093.db2.gz PQMVNLONXBPZQW-HNNXBMFYSA-N 2 2 272.396 2.117 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000610993071 347729509 /nfs/dbraw/zinc/72/95/09/347729509.db2.gz BQDUQERRCVPJEO-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000610993071 347729512 /nfs/dbraw/zinc/72/95/12/347729512.db2.gz BQDUQERRCVPJEO-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000106245151 186104741 /nfs/dbraw/zinc/10/47/41/186104741.db2.gz YNVNWLJCTFIESC-UHFFFAOYSA-N 2 2 262.401 2.157 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000122319488 187026209 /nfs/dbraw/zinc/02/62/09/187026209.db2.gz PZNPKGJVZMTXNG-WFASDCNBSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000122319488 187026210 /nfs/dbraw/zinc/02/62/10/187026210.db2.gz PZNPKGJVZMTXNG-WFASDCNBSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC000123607563 187100305 /nfs/dbraw/zinc/10/03/05/187100305.db2.gz PWPQZVQLWYJWND-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC000123607563 187100306 /nfs/dbraw/zinc/10/03/06/187100306.db2.gz PWPQZVQLWYJWND-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607563 187100307 /nfs/dbraw/zinc/10/03/07/187100307.db2.gz PWPQZVQLWYJWND-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC000123607563 187100308 /nfs/dbraw/zinc/10/03/08/187100308.db2.gz PWPQZVQLWYJWND-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(C)CC1 ZINC000073461958 363221157 /nfs/dbraw/zinc/22/11/57/363221157.db2.gz DUPWPBKPUZRYSU-UHFFFAOYSA-N 2 2 289.427 2.027 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000237887034 370757347 /nfs/dbraw/zinc/75/73/47/370757347.db2.gz AUPJFUJNGZAECK-MRXNPFEDSA-N 2 2 295.386 2.308 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000120171760 365384142 /nfs/dbraw/zinc/38/41/42/365384142.db2.gz WWFBRXLKPWPZOQ-ZFWWWQNUSA-N 2 2 285.391 2.152 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000120171760 365384150 /nfs/dbraw/zinc/38/41/50/365384150.db2.gz WWFBRXLKPWPZOQ-ZFWWWQNUSA-N 2 2 285.391 2.152 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083421 /nfs/dbraw/zinc/08/34/21/367083421.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083426 /nfs/dbraw/zinc/08/34/26/367083426.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083434 /nfs/dbraw/zinc/08/34/34/367083434.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083443 /nfs/dbraw/zinc/08/34/43/367083443.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245912220 370886813 /nfs/dbraw/zinc/88/68/13/370886813.db2.gz MOQMBDRSOVLKGD-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245912220 370886815 /nfs/dbraw/zinc/88/68/15/370886815.db2.gz MOQMBDRSOVLKGD-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245912220 370886818 /nfs/dbraw/zinc/88/68/18/370886818.db2.gz MOQMBDRSOVLKGD-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245912220 370886821 /nfs/dbraw/zinc/88/68/21/370886821.db2.gz MOQMBDRSOVLKGD-NVXWUHKLSA-N 2 2 299.418 2.483 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088906 370901053 /nfs/dbraw/zinc/90/10/53/370901053.db2.gz RFEPYAAEJAAMJU-XJKSGUPXSA-N 2 2 289.448 2.331 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088906 370901056 /nfs/dbraw/zinc/90/10/56/370901056.db2.gz RFEPYAAEJAAMJU-XJKSGUPXSA-N 2 2 289.448 2.331 20 30 CEEDLP CC1CC[NH+](CCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352841921 369907924 /nfs/dbraw/zinc/90/79/24/369907924.db2.gz UHUPVWFJZCDDDU-UHFFFAOYSA-N 2 2 278.425 2.226 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358739589 371199635 /nfs/dbraw/zinc/19/96/35/371199635.db2.gz BVFQYPCTUKGRNR-OAHLLOKOSA-N 2 2 274.412 2.038 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248495927 371202863 /nfs/dbraw/zinc/20/28/63/371202863.db2.gz LCCDMUSFPAUUFU-UAGQMJEPSA-N 2 2 274.408 2.034 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248495927 371202867 /nfs/dbraw/zinc/20/28/67/371202867.db2.gz LCCDMUSFPAUUFU-UAGQMJEPSA-N 2 2 274.408 2.034 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248881648 371262035 /nfs/dbraw/zinc/26/20/35/371262035.db2.gz RSDKXKDZFQIFAT-HRCADAONSA-N 2 2 279.428 2.015 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248881648 371262029 /nfs/dbraw/zinc/26/20/29/371262029.db2.gz RSDKXKDZFQIFAT-HRCADAONSA-N 2 2 279.428 2.015 20 30 CEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263274656 371932839 /nfs/dbraw/zinc/93/28/39/371932839.db2.gz XXWCPPIQNGFQJZ-UHFFFAOYSA-N 2 2 294.468 2.070 20 30 CEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC(C)(C)C ZINC000263274656 371932841 /nfs/dbraw/zinc/93/28/41/371932841.db2.gz XXWCPPIQNGFQJZ-UHFFFAOYSA-N 2 2 294.468 2.070 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264075179 371962288 /nfs/dbraw/zinc/96/22/88/371962288.db2.gz HDQPLDHZZUGDCL-CYBMUJFWSA-N 2 2 285.395 2.134 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685040 373488915 /nfs/dbraw/zinc/48/89/15/373488915.db2.gz ZEQNTKJVKWZINA-CQSZACIVSA-N 2 2 283.379 2.010 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276340 /nfs/dbraw/zinc/27/63/40/374276340.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 2 299.418 2.353 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276347 /nfs/dbraw/zinc/27/63/47/374276347.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276356 /nfs/dbraw/zinc/27/63/56/374276356.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141149 374276362 /nfs/dbraw/zinc/27/63/62/374276362.db2.gz QMVIGOFMCAUWLV-SJLPKXTDSA-N 2 2 299.418 2.353 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000420317280 376681992 /nfs/dbraw/zinc/68/19/92/376681992.db2.gz ZFMJDKMSUAISHF-UKRRQHHQSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000420317280 376682002 /nfs/dbraw/zinc/68/20/02/376682002.db2.gz ZFMJDKMSUAISHF-UKRRQHHQSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000420324479 376684811 /nfs/dbraw/zinc/68/48/11/376684811.db2.gz ZTEAPZQVSCGMCF-QGZVFWFLSA-N 2 2 289.423 2.144 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000420324479 376684822 /nfs/dbraw/zinc/68/48/22/376684822.db2.gz ZTEAPZQVSCGMCF-QGZVFWFLSA-N 2 2 289.423 2.144 20 30 CEEDLP CC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919473 376738805 /nfs/dbraw/zinc/73/88/05/376738805.db2.gz ZGZVCGMZQMVPFX-UHFFFAOYSA-N 2 2 287.407 2.254 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919473 376738811 /nfs/dbraw/zinc/73/88/11/376738811.db2.gz ZGZVCGMZQMVPFX-UHFFFAOYSA-N 2 2 287.407 2.254 20 30 CEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701142 /nfs/dbraw/zinc/70/11/42/377701142.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 2 259.353 2.069 20 30 CEEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701155 /nfs/dbraw/zinc/70/11/55/377701155.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 2 259.353 2.069 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701166 /nfs/dbraw/zinc/70/11/66/377701166.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 2 259.353 2.069 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701176 /nfs/dbraw/zinc/70/11/76/377701176.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 2 259.353 2.069 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(C#N)c1 ZINC000453261661 378846557 /nfs/dbraw/zinc/84/65/57/378846557.db2.gz KHFBSJGWPSCJQB-WMLDXEAASA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(C#N)c1 ZINC000453261661 378846559 /nfs/dbraw/zinc/84/65/59/378846559.db2.gz KHFBSJGWPSCJQB-WMLDXEAASA-N 2 2 287.407 2.056 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752924 220303843 /nfs/dbraw/zinc/30/38/43/220303843.db2.gz NHBIOULRXZIORB-QWHCGFSZSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752924 220303846 /nfs/dbraw/zinc/30/38/46/220303846.db2.gz NHBIOULRXZIORB-QWHCGFSZSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752924 220303851 /nfs/dbraw/zinc/30/38/51/220303851.db2.gz NHBIOULRXZIORB-QWHCGFSZSA-N 2 2 261.369 2.456 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C[C@@H]1C ZINC000353752924 220303853 /nfs/dbraw/zinc/30/38/53/220303853.db2.gz NHBIOULRXZIORB-QWHCGFSZSA-N 2 2 261.369 2.456 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]c(C)n1)C(C)C ZINC000360226623 394794243 /nfs/dbraw/zinc/79/42/43/394794243.db2.gz XLHBAJSQIBCUDA-OAHLLOKOSA-N 2 2 274.412 2.317 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000423370835 394904966 /nfs/dbraw/zinc/90/49/66/394904966.db2.gz UQLZYOFUONZTBU-ZIBATOQPSA-N 2 2 261.344 2.346 20 30 CEEDLP C=CCOCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000372349634 395040774 /nfs/dbraw/zinc/04/07/74/395040774.db2.gz PMTJVXZJXJSNMC-UHFFFAOYSA-N 2 2 295.452 2.202 20 30 CEEDLP C=CCOCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000372349634 395040777 /nfs/dbraw/zinc/04/07/77/395040777.db2.gz PMTJVXZJXJSNMC-UHFFFAOYSA-N 2 2 295.452 2.202 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290594199 395109279 /nfs/dbraw/zinc/10/92/79/395109279.db2.gz GRMVILQTKABDSN-UHFFFAOYSA-N 2 2 299.378 2.106 20 30 CEEDLP Cc1nc(N2CC[NH+](CCCC(C)(C)C#N)CC2)cc[nH+]1 ZINC000183780068 395262414 /nfs/dbraw/zinc/26/24/14/395262414.db2.gz CXVYEINZGBPPIR-UHFFFAOYSA-N 2 2 287.411 2.237 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC000442778587 395394924 /nfs/dbraw/zinc/39/49/24/395394924.db2.gz HEWLYAVCQNNBGR-HZSPNIEDSA-N 2 2 258.369 2.351 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647956041 395783374 /nfs/dbraw/zinc/78/33/74/395783374.db2.gz VQEAXYKOSRCZIZ-QGZVFWFLSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647956041 395783377 /nfs/dbraw/zinc/78/33/77/395783377.db2.gz VQEAXYKOSRCZIZ-QGZVFWFLSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647956041 395783380 /nfs/dbraw/zinc/78/33/80/395783380.db2.gz VQEAXYKOSRCZIZ-QGZVFWFLSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647956041 395783383 /nfs/dbraw/zinc/78/33/83/395783383.db2.gz VQEAXYKOSRCZIZ-QGZVFWFLSA-N 2 2 276.424 2.376 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCOC)C1 ZINC000651699369 401373738 /nfs/dbraw/zinc/37/37/38/401373738.db2.gz RPQTXBRLIXVYBQ-OWCLPIDISA-N 2 2 266.429 2.432 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000651699369 401373741 /nfs/dbraw/zinc/37/37/41/401373741.db2.gz RPQTXBRLIXVYBQ-OWCLPIDISA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178592 157195598 /nfs/dbraw/zinc/19/55/98/157195598.db2.gz RZZLEUFDYPJWEB-JCGIZDLHSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178592 157195599 /nfs/dbraw/zinc/19/55/99/157195599.db2.gz RZZLEUFDYPJWEB-JCGIZDLHSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000020506290 171228402 /nfs/dbraw/zinc/22/84/02/171228402.db2.gz KWELSJAQHGXBDC-CYBMUJFWSA-N 2 2 254.337 2.496 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657874758 415109606 /nfs/dbraw/zinc/10/96/06/415109606.db2.gz ACJCVQDZWHHORW-KRWDZBQOSA-N 2 2 296.455 2.058 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294984 415300981 /nfs/dbraw/zinc/30/09/81/415300981.db2.gz QJULQJSDAROOAS-LZWOXQAQSA-N 2 2 266.429 2.430 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264122914 262876139 /nfs/dbraw/zinc/87/61/39/262876139.db2.gz VOIPGLZXEUPNQB-QWHCGFSZSA-N 2 2 280.416 2.365 20 30 CEEDLP C#C[C@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368040859 267140373 /nfs/dbraw/zinc/14/03/73/267140373.db2.gz TXKUOYPXUGCIKM-NSHDSACASA-N 2 2 263.410 2.021 20 30 CEEDLP C#C[C@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368040859 267140375 /nfs/dbraw/zinc/14/03/75/267140375.db2.gz TXKUOYPXUGCIKM-NSHDSACASA-N 2 2 263.410 2.021 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000418143048 267365313 /nfs/dbraw/zinc/36/53/13/267365313.db2.gz OKBDEHZDNBQTBI-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000135685561 280052890 /nfs/dbraw/zinc/05/28/90/280052890.db2.gz UGUJYSQQLQEVQM-UHFFFAOYSA-N 2 2 260.366 2.386 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000570790833 314058042 /nfs/dbraw/zinc/05/80/42/314058042.db2.gz YCPYLMVEUJHCRV-HIFRSBDPSA-N 2 2 278.359 2.416 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000570790833 314058044 /nfs/dbraw/zinc/05/80/44/314058044.db2.gz YCPYLMVEUJHCRV-HIFRSBDPSA-N 2 2 278.359 2.416 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339153270 327998481 /nfs/dbraw/zinc/99/84/81/327998481.db2.gz HCDPJEDKSPYNNX-HUUCEWRRSA-N 2 2 270.380 2.204 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000237086530 328005048 /nfs/dbraw/zinc/00/50/48/328005048.db2.gz IQYRALKVDOQKHH-KRWDZBQOSA-N 2 2 286.423 2.220 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000237086530 328005049 /nfs/dbraw/zinc/00/50/49/328005049.db2.gz IQYRALKVDOQKHH-KRWDZBQOSA-N 2 2 286.423 2.220 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOC(C)(C)C)cc1 ZINC000267030301 328172026 /nfs/dbraw/zinc/17/20/26/328172026.db2.gz VBPOFCOAVQGDRX-UHFFFAOYSA-N 2 2 293.411 2.200 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000558506916 327099626 /nfs/dbraw/zinc/09/96/26/327099626.db2.gz WRWIKJVOSZODPQ-CQSZACIVSA-N 2 2 281.363 2.378 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000558732071 327117761 /nfs/dbraw/zinc/11/77/61/327117761.db2.gz OPLRMCJJSQVRAB-MRXNPFEDSA-N 2 2 297.406 2.079 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000559216140 327147424 /nfs/dbraw/zinc/14/74/24/327147424.db2.gz UYSJKEDKTWSKQA-CYBMUJFWSA-N 2 2 275.396 2.391 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000113331902 329542941 /nfs/dbraw/zinc/54/29/41/329542941.db2.gz UTCMFOAWUJCRKS-MRXNPFEDSA-N 2 2 295.386 2.308 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cncn2C(C)C)CC1 ZINC000424136520 330272491 /nfs/dbraw/zinc/27/24/91/330272491.db2.gz AQTKYTMPNUXNIM-UHFFFAOYSA-N 2 2 262.401 2.204 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453345097 331119654 /nfs/dbraw/zinc/11/96/54/331119654.db2.gz HFRRWNRWGHCMHP-NXHRZFHOSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453345097 331119655 /nfs/dbraw/zinc/11/96/55/331119655.db2.gz HFRRWNRWGHCMHP-NXHRZFHOSA-N 2 2 288.435 2.424 20 30 CEEDLP C=C[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489499653 332057103 /nfs/dbraw/zinc/05/71/03/332057103.db2.gz SQRPKTNJZIZFIY-HZPDHXFCSA-N 2 2 278.440 2.428 20 30 CEEDLP C#C[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000491525793 332230379 /nfs/dbraw/zinc/23/03/79/332230379.db2.gz VFLFWSKUKKXLNJ-HOTGVXAUSA-N 2 2 299.418 2.261 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](C#N)CCC#N)CCC2 ZINC000576082762 335150364 /nfs/dbraw/zinc/15/03/64/335150364.db2.gz UPNGPNKBILWYKQ-KBPBESRZSA-N 2 2 271.368 2.102 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000573250102 334921528 /nfs/dbraw/zinc/92/15/28/334921528.db2.gz ZJVOWYLCXAWPJO-CVEARBPZSA-N 2 2 257.381 2.373 20 30 CEEDLP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469225 624515596 /nfs/dbraw/zinc/51/55/96/624515596.db2.gz REJMSICNKWEQAK-ROUUACIJSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469225 624515605 /nfs/dbraw/zinc/51/56/05/624515605.db2.gz REJMSICNKWEQAK-ROUUACIJSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000934469225 624515606 /nfs/dbraw/zinc/51/56/06/624515606.db2.gz REJMSICNKWEQAK-ROUUACIJSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000934469225 624515607 /nfs/dbraw/zinc/51/56/07/624515607.db2.gz REJMSICNKWEQAK-ROUUACIJSA-N 2 2 286.419 2.056 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000328094745 627817072 /nfs/dbraw/zinc/81/70/72/627817072.db2.gz JMYSZNKSCGLBIO-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000328094745 627817077 /nfs/dbraw/zinc/81/70/77/627817077.db2.gz JMYSZNKSCGLBIO-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892881604 627828517 /nfs/dbraw/zinc/82/85/17/627828517.db2.gz ZGRVLCYFSJMQKB-UHFFFAOYSA-N 2 2 263.360 2.269 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364990 634619903 /nfs/dbraw/zinc/61/99/03/634619903.db2.gz VZFHNWACOWZVQP-MRXNPFEDSA-N 3 2 279.472 2.395 20 30 CEEDLP N#CCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925705509 628549221 /nfs/dbraw/zinc/54/92/21/628549221.db2.gz KQDQEGMTOLVAFB-HNNXBMFYSA-N 2 2 255.365 2.127 20 30 CEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909598060 631094223 /nfs/dbraw/zinc/09/42/23/631094223.db2.gz JJNQJFBBZXSVFI-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909598060 631094227 /nfs/dbraw/zinc/09/42/27/631094227.db2.gz JJNQJFBBZXSVFI-KRWDZBQOSA-N 2 2 299.418 2.093 20 30 CEEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000900048514 633382093 /nfs/dbraw/zinc/38/20/93/633382093.db2.gz BWAFAONYSMNVTK-UHFFFAOYSA-N 2 2 272.352 2.318 20 30 CEEDLP C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693332 633810368 /nfs/dbraw/zinc/81/03/68/633810368.db2.gz PREMMGURZLOVJT-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693332 633810371 /nfs/dbraw/zinc/81/03/71/633810371.db2.gz PREMMGURZLOVJT-UHFFFAOYSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819024374 634044220 /nfs/dbraw/zinc/04/42/20/634044220.db2.gz OWEVXNJOJOEDLG-INIZCTEOSA-N 2 2 296.361 2.238 20 30 CEEDLP C=CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000905776498 636433724 /nfs/dbraw/zinc/43/37/24/636433724.db2.gz DNLXHXBGWHSRFB-OAHLLOKOSA-N 2 2 282.428 2.204 20 30 CEEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)N1CCCCCC1 ZINC000126006747 650317965 /nfs/dbraw/zinc/31/79/65/650317965.db2.gz CWSTYVKTLPWFPN-UHFFFAOYSA-N 2 2 275.400 2.074 20 30 CEEDLP Nc1ccc2c(c1)CCCC2=[NH+]NCC[NH+]1CCCCC1 ZINC000834942917 637995437 /nfs/dbraw/zinc/99/54/37/637995437.db2.gz OFQZLFXWVLIIMG-UHFFFAOYSA-N 2 2 286.423 2.385 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877009205 650529852 /nfs/dbraw/zinc/52/98/52/650529852.db2.gz IPACLPZWDMCXDT-UHFFFAOYSA-N 2 2 260.381 2.441 20 30 CEEDLP N#Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000921550190 642230757 /nfs/dbraw/zinc/23/07/57/642230757.db2.gz PXATYFQPZJYHOX-STQMWFEESA-N 2 2 261.394 2.336 20 30 CEEDLP N#Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000921550190 642230761 /nfs/dbraw/zinc/23/07/61/642230761.db2.gz PXATYFQPZJYHOX-STQMWFEESA-N 2 2 261.394 2.336 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000849023433 642236800 /nfs/dbraw/zinc/23/68/00/642236800.db2.gz SUKHKJQTAHIXDG-RYUDHWBXSA-N 2 2 264.373 2.009 20 30 CEEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877524831 650765999 /nfs/dbraw/zinc/76/59/99/650765999.db2.gz HUVDXZWWOYAKAH-GFCCVEGCSA-N 2 2 292.814 2.427 20 30 CEEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877524831 650766004 /nfs/dbraw/zinc/76/60/04/650766004.db2.gz HUVDXZWWOYAKAH-GFCCVEGCSA-N 2 2 292.814 2.427 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000863542955 646752148 /nfs/dbraw/zinc/75/21/48/646752148.db2.gz IQCFMAWNFWFMGF-XOKHGSTOSA-N 2 2 272.392 2.490 20 30 CEEDLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccncc2C#N)C1 ZINC000866708571 647878185 /nfs/dbraw/zinc/87/81/85/647878185.db2.gz RUHCZUIVDXVSOA-INIZCTEOSA-N 2 2 272.396 2.150 20 30 CEEDLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000866708571 647878188 /nfs/dbraw/zinc/87/81/88/647878188.db2.gz RUHCZUIVDXVSOA-INIZCTEOSA-N 2 2 272.396 2.150 20 30 CEEDLP C#CC[N@H+]1CCC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000884612483 652943730 /nfs/dbraw/zinc/94/37/30/652943730.db2.gz MIEFHLHKKRKVSS-ZDUSSCGKSA-N 2 2 268.364 2.083 20 30 CEEDLP C#CC[N@@H+]1CCC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000884612483 652943733 /nfs/dbraw/zinc/94/37/33/652943733.db2.gz MIEFHLHKKRKVSS-ZDUSSCGKSA-N 2 2 268.364 2.083 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000693437626 802913189 /nfs/dbraw/zinc/91/31/89/802913189.db2.gz VCPPPXQBHQAEKN-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000693437626 802913196 /nfs/dbraw/zinc/91/31/96/802913196.db2.gz VCPPPXQBHQAEKN-UHFFFAOYSA-N 2 2 270.298 2.149 20 30 CEEDLP Cc1cc(C(N)=[NH+]OCC[NH+]2CCCCC2)ccc1F ZINC000194387494 808261744 /nfs/dbraw/zinc/26/17/44/808261744.db2.gz BNWDKMRARZEFAR-UHFFFAOYSA-N 2 2 279.359 2.257 20 30 CEEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553641 /nfs/dbraw/zinc/55/36/41/809553641.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 2 269.392 2.250 20 30 CEEDLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553648 /nfs/dbraw/zinc/55/36/48/809553648.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 2 269.392 2.250 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553653 /nfs/dbraw/zinc/55/36/53/809553653.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 2 269.392 2.250 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553657 /nfs/dbraw/zinc/55/36/57/809553657.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 2 269.392 2.250 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131655810 812702411 /nfs/dbraw/zinc/70/24/11/812702411.db2.gz CMEPTFIRFITJHI-UHFFFAOYSA-N 2 2 294.443 2.029 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086756628 813504396 /nfs/dbraw/zinc/50/43/96/813504396.db2.gz JAMITQSGAISEGS-UONOGXRCSA-N 2 2 298.390 2.008 20 30 CEEDLP C=C[C@@H](COC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001116640462 814871498 /nfs/dbraw/zinc/87/14/98/814871498.db2.gz RMGWXBGODFMAHV-NSHDSACASA-N 2 2 263.366 2.224 20 30 CEEDLP C#CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001138560200 815830966 /nfs/dbraw/zinc/83/09/66/815830966.db2.gz LETUNZLVOUQJJP-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP C#CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001138560200 815830973 /nfs/dbraw/zinc/83/09/73/815830973.db2.gz LETUNZLVOUQJJP-UHFFFAOYSA-N 2 2 283.375 2.417 20 30 CEEDLP CC1(C#N)CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001178527282 816758505 /nfs/dbraw/zinc/75/85/05/816758505.db2.gz BQXLFRZHKXPAPY-OWYJLGKBSA-N 2 2 258.369 2.260 20 30 CEEDLP CCCCCCCCCCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161226045 816809578 /nfs/dbraw/zinc/80/95/78/816809578.db2.gz CDPDHFRRNPHNMN-GJZGRUSLSA-N 2 2 283.460 2.132 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037157779 361900415 /nfs/dbraw/zinc/90/04/15/361900415.db2.gz UGNWNMXXYHOGEP-OLZOCXBDSA-N 2 2 254.337 2.494 20 30 CEEDLP C=CCc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(OC)c1O ZINC000668539771 539193450 /nfs/dbraw/zinc/19/34/50/539193450.db2.gz LOVKTSQLYJKYLG-UHFFFAOYSA-N 2 2 290.407 2.123 20 30 CEEDLP C=CCc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(OC)c1O ZINC000668539771 539193452 /nfs/dbraw/zinc/19/34/52/539193452.db2.gz LOVKTSQLYJKYLG-UHFFFAOYSA-N 2 2 290.407 2.123 20 30 CEEDLP C[C@H]([NH2+]CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657274 365751751 /nfs/dbraw/zinc/75/17/51/365751751.db2.gz POQLDWGYIKMRRO-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]([NH2+]CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657274 365751753 /nfs/dbraw/zinc/75/17/53/365751753.db2.gz POQLDWGYIKMRRO-GOEBONIOSA-N 2 2 257.381 2.400 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602005166 346955721 /nfs/dbraw/zinc/95/57/21/346955721.db2.gz NELXSTJIWULWIV-UONOGXRCSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602005166 346955726 /nfs/dbraw/zinc/95/57/26/346955726.db2.gz NELXSTJIWULWIV-UONOGXRCSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000602008201 346957029 /nfs/dbraw/zinc/95/70/29/346957029.db2.gz RUOLKWLTIICUSB-UHFFFAOYSA-N 2 2 272.327 2.464 20 30 CEEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479243 347051910 /nfs/dbraw/zinc/05/19/10/347051910.db2.gz GUIPTWPAWTZESB-OAHLLOKOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602479243 347051913 /nfs/dbraw/zinc/05/19/13/347051913.db2.gz GUIPTWPAWTZESB-OAHLLOKOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479243 347051915 /nfs/dbraw/zinc/05/19/15/347051915.db2.gz GUIPTWPAWTZESB-OAHLLOKOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479243 347051920 /nfs/dbraw/zinc/05/19/20/347051920.db2.gz GUIPTWPAWTZESB-OAHLLOKOSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+]1CCN(c2ccc(NC3CCC(C#N)CC3)[nH+]c2)CC1 ZINC000602522617 347066283 /nfs/dbraw/zinc/06/62/83/347066283.db2.gz UOPYXZVMFUBCRZ-UHFFFAOYSA-N 2 2 299.422 2.328 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(F)c1 ZINC000591570857 345264551 /nfs/dbraw/zinc/26/45/51/345264551.db2.gz XTYQBDPYEACHGI-CABCVRRESA-N 2 2 261.344 2.447 20 30 CEEDLP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693385 345522129 /nfs/dbraw/zinc/52/21/29/345522129.db2.gz WZVJUDQUBWXAHN-KDOFPFPSSA-N 2 2 299.418 2.290 20 30 CEEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923289 345703759 /nfs/dbraw/zinc/70/37/59/345703759.db2.gz IJPMDSVYXLIWIC-MRXNPFEDSA-N 2 2 269.392 2.426 20 30 CEEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923289 345703762 /nfs/dbraw/zinc/70/37/62/345703762.db2.gz IJPMDSVYXLIWIC-MRXNPFEDSA-N 2 2 269.392 2.426 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056810 345736029 /nfs/dbraw/zinc/73/60/29/345736029.db2.gz WTPTVAYMTDOSOA-SUMWQHHRSA-N 2 2 269.392 2.173 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056810 345736033 /nfs/dbraw/zinc/73/60/33/345736033.db2.gz WTPTVAYMTDOSOA-SUMWQHHRSA-N 2 2 269.392 2.173 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000600776730 346688482 /nfs/dbraw/zinc/68/84/82/346688482.db2.gz RHEYGSGMSQBCPJ-SKDRFNHKSA-N 2 2 287.285 2.110 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000600776730 346688484 /nfs/dbraw/zinc/68/84/84/346688484.db2.gz RHEYGSGMSQBCPJ-SKDRFNHKSA-N 2 2 287.285 2.110 20 30 CEEDLP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602641203 347118913 /nfs/dbraw/zinc/11/89/13/347118913.db2.gz XUYUTBWEDOMQJH-DZGCQCFKSA-N 2 2 259.353 2.475 20 30 CEEDLP C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602641203 347118915 /nfs/dbraw/zinc/11/89/15/347118915.db2.gz XUYUTBWEDOMQJH-DZGCQCFKSA-N 2 2 259.353 2.475 20 30 CEEDLP CCC1([NH+]2CCCC2)CC[NH+](CCOCCC#N)CC1 ZINC000602951645 347255476 /nfs/dbraw/zinc/25/54/76/347255476.db2.gz XFSHVFPOIUQZCE-UHFFFAOYSA-N 2 2 279.428 2.257 20 30 CEEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694781 539945192 /nfs/dbraw/zinc/94/51/92/539945192.db2.gz MMEGRKKHXBCSCS-GDBMZVCRSA-N 2 2 289.423 2.336 20 30 CEEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694781 539945194 /nfs/dbraw/zinc/94/51/94/539945194.db2.gz MMEGRKKHXBCSCS-GDBMZVCRSA-N 2 2 289.423 2.336 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155675926 188220619 /nfs/dbraw/zinc/22/06/19/188220619.db2.gz LCWQJMNZMSTBPP-AWEZNQCLSA-N 2 2 269.348 2.246 20 30 CEEDLP N#CCSCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131804151 366089230 /nfs/dbraw/zinc/08/92/30/366089230.db2.gz PUJZIEXUYRXTBQ-AWEZNQCLSA-N 2 2 277.393 2.182 20 30 CEEDLP N#CCSCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131804151 366089236 /nfs/dbraw/zinc/08/92/36/366089236.db2.gz PUJZIEXUYRXTBQ-AWEZNQCLSA-N 2 2 277.393 2.182 20 30 CEEDLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000174317734 188892338 /nfs/dbraw/zinc/89/23/38/188892338.db2.gz SPZYHDOFPYPDHM-ZDUSSCGKSA-N 2 2 284.363 2.189 20 30 CEEDLP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000578587733 366515161 /nfs/dbraw/zinc/51/51/61/366515161.db2.gz DAZQKMXAPOIMJJ-ZWKOTPCHSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179468 364584186 /nfs/dbraw/zinc/58/41/86/364584186.db2.gz SPJMFSYLCQZIHZ-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179468 364584188 /nfs/dbraw/zinc/58/41/88/364584188.db2.gz SPJMFSYLCQZIHZ-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179468 364584192 /nfs/dbraw/zinc/58/41/92/364584192.db2.gz SPJMFSYLCQZIHZ-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179468 364584194 /nfs/dbraw/zinc/58/41/94/364584194.db2.gz SPJMFSYLCQZIHZ-MLGOLLRUSA-N 2 2 275.371 2.469 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000119987095 365355827 /nfs/dbraw/zinc/35/58/27/365355827.db2.gz JTQOUOYBPZMIEV-AWEZNQCLSA-N 2 2 260.385 2.368 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000119987095 365355833 /nfs/dbraw/zinc/35/58/33/365355833.db2.gz JTQOUOYBPZMIEV-AWEZNQCLSA-N 2 2 260.385 2.368 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113605 365426600 /nfs/dbraw/zinc/42/66/00/365426600.db2.gz WNTLAZULZDPUNJ-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113605 365426604 /nfs/dbraw/zinc/42/66/04/365426604.db2.gz WNTLAZULZDPUNJ-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113605 365426607 /nfs/dbraw/zinc/42/66/07/365426607.db2.gz WNTLAZULZDPUNJ-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000336113605 365426611 /nfs/dbraw/zinc/42/66/11/365426611.db2.gz WNTLAZULZDPUNJ-CQSZACIVSA-N 2 2 261.394 2.147 20 30 CEEDLP CCC[N@H+](CC)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000177580122 368274935 /nfs/dbraw/zinc/27/49/35/368274935.db2.gz SLFCXSBVWUTLRM-UHFFFAOYSA-N 2 2 285.395 2.027 20 30 CEEDLP CCC[N@@H+](CC)CCNCc1c[nH+]c2ccc(C#N)cn12 ZINC000177580122 368274943 /nfs/dbraw/zinc/27/49/43/368274943.db2.gz SLFCXSBVWUTLRM-UHFFFAOYSA-N 2 2 285.395 2.027 20 30 CEEDLP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)Cn1cc[nH+]c1 ZINC000177692005 368280307 /nfs/dbraw/zinc/28/03/07/368280307.db2.gz ZKKBWDZFRKINQF-NSHDSACASA-N 2 2 260.366 2.242 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000335498456 212177687 /nfs/dbraw/zinc/17/76/87/212177687.db2.gz NJHSJPHPMXXIEF-FZMZJTMJSA-N 2 2 261.344 2.490 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634680419 368810664 /nfs/dbraw/zinc/81/06/64/368810664.db2.gz RUBZOHUDUAXWHY-AWEZNQCLSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186710534 369025839 /nfs/dbraw/zinc/02/58/39/369025839.db2.gz SJDPJVVBZGVRIN-DZGCQCFKSA-N 2 2 271.364 2.460 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635021899 369059430 /nfs/dbraw/zinc/05/94/30/369059430.db2.gz PIORKRPPMLCUOK-GJZGRUSLSA-N 2 2 266.429 2.335 20 30 CEEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352830411 369901893 /nfs/dbraw/zinc/90/18/93/369901893.db2.gz AHNQSTSYKBVRAG-GFCCVEGCSA-N 2 2 278.425 2.369 20 30 CEEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000352830411 369901896 /nfs/dbraw/zinc/90/18/96/369901896.db2.gz AHNQSTSYKBVRAG-GFCCVEGCSA-N 2 2 278.425 2.369 20 30 CEEDLP N#Cc1csc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000352855634 369915800 /nfs/dbraw/zinc/91/58/00/369915800.db2.gz UFYNTZNCBCICAU-UHFFFAOYSA-N 2 2 287.392 2.392 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353265128 370104232 /nfs/dbraw/zinc/10/42/32/370104232.db2.gz LRDUCUTXWKQXTE-RDTXWAMCSA-N 2 2 299.418 2.246 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000252543529 371454116 /nfs/dbraw/zinc/45/41/16/371454116.db2.gz HEIRMWHGYUHUAG-RRQGHBQHSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000252543529 371454120 /nfs/dbraw/zinc/45/41/20/371454120.db2.gz HEIRMWHGYUHUAG-RRQGHBQHSA-N 2 2 285.391 2.072 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360929506 371548158 /nfs/dbraw/zinc/54/81/58/371548158.db2.gz XNLRCOAVYSCKBI-KZNAEPCWSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360929506 371548163 /nfs/dbraw/zinc/54/81/63/371548163.db2.gz XNLRCOAVYSCKBI-KZNAEPCWSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360929506 371548167 /nfs/dbraw/zinc/54/81/67/371548167.db2.gz XNLRCOAVYSCKBI-KZNAEPCWSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360929506 371548171 /nfs/dbraw/zinc/54/81/71/371548171.db2.gz XNLRCOAVYSCKBI-KZNAEPCWSA-N 2 2 281.403 2.474 20 30 CEEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988340 371718060 /nfs/dbraw/zinc/71/80/60/371718060.db2.gz PQKABVFQMUCGNH-HNNXBMFYSA-N 2 2 293.455 2.018 20 30 CEEDLP CCCCCCNC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000162896540 261297976 /nfs/dbraw/zinc/29/79/76/261297976.db2.gz IKHRJXQNGWLRLP-UHFFFAOYSA-N 2 2 262.401 2.417 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268656512 372170712 /nfs/dbraw/zinc/17/07/12/372170712.db2.gz LBBJRLJSLSVJQH-HOTGVXAUSA-N 2 2 296.374 2.194 20 30 CEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000344288011 217134062 /nfs/dbraw/zinc/13/40/62/217134062.db2.gz JMYXVKDMIIIRQU-GJZGRUSLSA-N 2 2 287.407 2.320 20 30 CEEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000271940731 373227644 /nfs/dbraw/zinc/22/76/44/373227644.db2.gz OSHKUWXPWOBUTN-NSHDSACASA-N 2 2 258.300 2.245 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(CC)[nH+]c(C)n2)CC1 ZINC000272840299 373677273 /nfs/dbraw/zinc/67/72/73/373677273.db2.gz IPIUWGGOYIKOCZ-UHFFFAOYSA-N 2 2 260.385 2.410 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000371882607 373998168 /nfs/dbraw/zinc/99/81/68/373998168.db2.gz CWDVYWAHJXWSLE-LLVKDONJSA-N 2 2 272.377 2.229 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325619 374098285 /nfs/dbraw/zinc/09/82/85/374098285.db2.gz LNAYBAKPVGDWAS-XQQFMLRXSA-N 2 2 291.420 2.134 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325619 374098293 /nfs/dbraw/zinc/09/82/93/374098293.db2.gz LNAYBAKPVGDWAS-XQQFMLRXSA-N 2 2 291.420 2.134 20 30 CEEDLP C#C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)C ZINC000281136710 375359189 /nfs/dbraw/zinc/35/91/89/375359189.db2.gz ZHZYVCLIOPFGOW-AWEZNQCLSA-N 2 2 292.346 2.280 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000420321819 376683323 /nfs/dbraw/zinc/68/33/23/376683323.db2.gz RVQKCWBAFOVIOU-WFASDCNBSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000420321819 376683334 /nfs/dbraw/zinc/68/33/34/376683334.db2.gz RVQKCWBAFOVIOU-WFASDCNBSA-N 2 2 289.423 2.143 20 30 CEEDLP Cc1cccn2c(C[NH2+]CC3(CC#N)CC3)c[nH+]c12 ZINC000430018439 377524511 /nfs/dbraw/zinc/52/45/11/377524511.db2.gz LMHZZGLFQXJYDE-UHFFFAOYSA-N 2 2 254.337 2.426 20 30 CEEDLP C=CC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435721623 377809030 /nfs/dbraw/zinc/80/90/30/377809030.db2.gz DSLXAJSUBSMSKX-GFCCVEGCSA-N 2 2 251.399 2.049 20 30 CEEDLP C=CC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435721623 377809035 /nfs/dbraw/zinc/80/90/35/377809035.db2.gz DSLXAJSUBSMSKX-GFCCVEGCSA-N 2 2 251.399 2.049 20 30 CEEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442788481 377996215 /nfs/dbraw/zinc/99/62/15/377996215.db2.gz FRTOCIUZLLPIGG-UONOGXRCSA-N 2 2 279.428 2.158 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000450500084 378453075 /nfs/dbraw/zinc/45/30/75/378453075.db2.gz LSFBIFMSBMDTHE-CQSZACIVSA-N 2 2 257.337 2.229 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000450500084 378453084 /nfs/dbraw/zinc/45/30/84/378453084.db2.gz LSFBIFMSBMDTHE-CQSZACIVSA-N 2 2 257.337 2.229 20 30 CEEDLP N#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002382 /nfs/dbraw/zinc/00/23/82/260002382.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002383 /nfs/dbraw/zinc/00/23/83/260002383.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002384 /nfs/dbraw/zinc/00/23/84/260002384.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002385 /nfs/dbraw/zinc/00/23/85/260002385.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 2 269.392 2.354 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687210 394508173 /nfs/dbraw/zinc/50/81/73/394508173.db2.gz NOARUWQBFARPJK-SWLSCSKDSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000044687210 394508174 /nfs/dbraw/zinc/50/81/74/394508174.db2.gz NOARUWQBFARPJK-SWLSCSKDSA-N 2 2 255.365 2.446 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328989255 394559853 /nfs/dbraw/zinc/55/98/53/394559853.db2.gz RVDOIPJODKLYGT-ZDUSSCGKSA-N 2 2 288.395 2.052 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccsc1 ZINC000261907050 394609532 /nfs/dbraw/zinc/60/95/32/394609532.db2.gz XFTIBFUJHRVKEJ-CYBMUJFWSA-N 2 2 280.441 2.198 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207093 395076886 /nfs/dbraw/zinc/07/68/86/395076886.db2.gz HSWJQUYTDTWUSG-UHFFFAOYSA-N 2 2 290.411 2.014 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207093 395076890 /nfs/dbraw/zinc/07/68/90/395076890.db2.gz HSWJQUYTDTWUSG-UHFFFAOYSA-N 2 2 290.411 2.014 20 30 CEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518674290 395190906 /nfs/dbraw/zinc/19/09/06/395190906.db2.gz REWOSWCWAPWRDQ-OAHLLOKOSA-N 2 2 299.418 2.243 20 30 CEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518674290 395190909 /nfs/dbraw/zinc/19/09/09/395190909.db2.gz REWOSWCWAPWRDQ-OAHLLOKOSA-N 2 2 299.418 2.243 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)CCC2 ZINC000442778591 395394731 /nfs/dbraw/zinc/39/47/31/395394731.db2.gz HEWLYAVCQNNBGR-IHRRRGAJSA-N 2 2 258.369 2.351 20 30 CEEDLP C=CC[N@@H+](C)CCN(CC)Cc1cn2ccccc2[nH+]1 ZINC000411635968 395333808 /nfs/dbraw/zinc/33/38/08/395333808.db2.gz CROQNFSRUQAYFB-UHFFFAOYSA-N 2 2 272.396 2.274 20 30 CEEDLP C=CC[N@H+](C)CCN(CC)Cc1cn2ccccc2[nH+]1 ZINC000411635968 395333814 /nfs/dbraw/zinc/33/38/14/395333814.db2.gz CROQNFSRUQAYFB-UHFFFAOYSA-N 2 2 272.396 2.274 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000444005914 395410931 /nfs/dbraw/zinc/41/09/31/395410931.db2.gz ZEADITFYUWCYCY-SUMWQHHRSA-N 2 2 269.392 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000444005914 395410935 /nfs/dbraw/zinc/41/09/35/395410935.db2.gz ZEADITFYUWCYCY-SUMWQHHRSA-N 2 2 269.392 2.439 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857962 395536755 /nfs/dbraw/zinc/53/67/55/395536755.db2.gz QVQXZCKAQFXKNV-SUMWQHHRSA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857962 395536756 /nfs/dbraw/zinc/53/67/56/395536756.db2.gz QVQXZCKAQFXKNV-SUMWQHHRSA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000181782056 400289934 /nfs/dbraw/zinc/28/99/34/400289934.db2.gz YLVKUDJMBHMPRA-CABCVRRESA-N 2 2 287.407 2.177 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000368135032 156291341 /nfs/dbraw/zinc/29/13/41/156291341.db2.gz OBSDKFJDSURALN-OAHLLOKOSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000368135032 156291348 /nfs/dbraw/zinc/29/13/48/156291348.db2.gz OBSDKFJDSURALN-OAHLLOKOSA-N 2 2 296.374 2.290 20 30 CEEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000356057801 228104097 /nfs/dbraw/zinc/10/40/97/228104097.db2.gz OLEZCWKKHKZURP-JTQLQIEISA-N 2 2 273.365 2.117 20 30 CEEDLP N#Cc1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000356057801 228104098 /nfs/dbraw/zinc/10/40/98/228104098.db2.gz OLEZCWKKHKZURP-JTQLQIEISA-N 2 2 273.365 2.117 20 30 CEEDLP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000328910551 263899867 /nfs/dbraw/zinc/89/98/67/263899867.db2.gz FSOJWTBYMLRNBN-CYBMUJFWSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[NH+]1CCC(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425229438 267017791 /nfs/dbraw/zinc/01/77/91/267017791.db2.gz UDDDPMPGJQRPLO-UHFFFAOYSA-N 2 2 272.396 2.218 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000522011253 267059758 /nfs/dbraw/zinc/05/97/58/267059758.db2.gz UFNURQTUIBLNOL-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000522011253 267059762 /nfs/dbraw/zinc/05/97/62/267059762.db2.gz UFNURQTUIBLNOL-OAHLLOKOSA-N 2 2 272.396 2.117 20 30 CEEDLP N#CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000418142710 267363837 /nfs/dbraw/zinc/36/38/37/267363837.db2.gz NNUINXALGGTGOU-UHFFFAOYSA-N 2 2 270.380 2.334 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262020100 328143726 /nfs/dbraw/zinc/14/37/26/328143726.db2.gz XLMGSXHJIBJLQU-GFCCVEGCSA-N 2 2 294.468 2.151 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262020100 328143727 /nfs/dbraw/zinc/14/37/27/328143727.db2.gz XLMGSXHJIBJLQU-GFCCVEGCSA-N 2 2 294.468 2.151 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000414843992 328234273 /nfs/dbraw/zinc/23/42/73/328234273.db2.gz KJRQUCUDHKXTKX-AWEZNQCLSA-N 2 2 276.380 2.102 20 30 CEEDLP C=CCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751220 329138518 /nfs/dbraw/zinc/13/85/18/329138518.db2.gz TUWHKFLGODUXLW-UHFFFAOYSA-N 2 2 293.455 2.019 20 30 CEEDLP C=C(C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318090 329366075 /nfs/dbraw/zinc/36/60/75/329366075.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318090 329366077 /nfs/dbraw/zinc/36/60/77/329366077.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188318090 329366079 /nfs/dbraw/zinc/36/60/79/329366079.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188318090 329366081 /nfs/dbraw/zinc/36/60/81/329366081.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000262369583 330011038 /nfs/dbraw/zinc/01/10/38/330011038.db2.gz WMIPCYMURFOAKB-OLZOCXBDSA-N 2 2 294.468 2.397 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972650 330164673 /nfs/dbraw/zinc/16/46/73/330164673.db2.gz ACOWISKDQGRJCP-GOEBONIOSA-N 3 2 265.445 2.134 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000423497407 330207782 /nfs/dbraw/zinc/20/77/82/330207782.db2.gz YTJXADVWJXXVJV-KBPBESRZSA-N 2 2 264.369 2.255 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453256987 331108318 /nfs/dbraw/zinc/10/83/18/331108318.db2.gz GSHYROCEXBLUKG-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453256987 331108319 /nfs/dbraw/zinc/10/83/19/331108319.db2.gz GSHYROCEXBLUKG-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459403238 331280154 /nfs/dbraw/zinc/28/01/54/331280154.db2.gz OPTSXERJOFTDQN-UHFFFAOYSA-N 3 2 277.456 2.243 20 30 CEEDLP C=C(C)C[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459403238 331280155 /nfs/dbraw/zinc/28/01/55/331280155.db2.gz OPTSXERJOFTDQN-UHFFFAOYSA-N 2 2 277.456 2.243 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159236 /nfs/dbraw/zinc/15/92/36/332159236.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159238 /nfs/dbraw/zinc/15/92/38/332159238.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159239 /nfs/dbraw/zinc/15/92/39/332159239.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159241 /nfs/dbraw/zinc/15/92/41/332159241.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 3 2 299.462 2.367 20 30 CEEDLP CC1(C)CC([NH2+]C[C@H](C#N)CCC#N)CC(C)(C)[NH2+]1 ZINC000551683714 334257675 /nfs/dbraw/zinc/25/76/75/334257675.db2.gz PCSJZARJHMSFSX-LBPRGKRZSA-N 2 2 262.401 2.329 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CC)nc2)CC1 ZINC000352749334 526450344 /nfs/dbraw/zinc/45/03/44/526450344.db2.gz MLYLURCBGOMTGM-UHFFFAOYSA-N 2 2 259.397 2.384 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncn2CC)CC1 ZINC000417896825 526604628 /nfs/dbraw/zinc/60/46/28/526604628.db2.gz IHELAOHCTDMGOC-UHFFFAOYSA-N 2 2 262.401 2.033 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540663 613754345 /nfs/dbraw/zinc/75/43/45/613754345.db2.gz WSUXGLPMDYVUIM-ZIAGYGMSSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540663 613754347 /nfs/dbraw/zinc/75/43/47/613754347.db2.gz WSUXGLPMDYVUIM-ZIAGYGMSSA-N 2 2 298.390 2.103 20 30 CEEDLP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170691 613872078 /nfs/dbraw/zinc/87/20/78/613872078.db2.gz PPAMMYOUSFMVKZ-UONOGXRCSA-N 2 2 298.390 2.380 20 30 CEEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510738 625590581 /nfs/dbraw/zinc/59/05/81/625590581.db2.gz VHHWOMQUXMQKRN-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510738 625590589 /nfs/dbraw/zinc/59/05/89/625590589.db2.gz VHHWOMQUXMQKRN-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157945685 624999238 /nfs/dbraw/zinc/99/92/38/624999238.db2.gz FQQUJAINBDUEBG-DLBZAZTESA-N 2 2 254.377 2.255 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157945685 624999239 /nfs/dbraw/zinc/99/92/39/624999239.db2.gz FQQUJAINBDUEBG-DLBZAZTESA-N 2 2 254.377 2.255 20 30 CEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719548 625851373 /nfs/dbraw/zinc/85/13/73/625851373.db2.gz VWSOILJGUFHEPJ-ZFWWWQNUSA-N 2 2 279.428 2.158 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000178309040 627781174 /nfs/dbraw/zinc/78/11/74/627781174.db2.gz NQHLNVNUTPBLNQ-OAHLLOKOSA-N 2 2 272.392 2.445 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902434346 634655641 /nfs/dbraw/zinc/65/56/41/634655641.db2.gz NQFSOHBYCBDTHG-WXYCVUISSA-N 2 2 255.365 2.283 20 30 CEEDLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902720046 634793712 /nfs/dbraw/zinc/79/37/12/634793712.db2.gz AXPOBKPYPYLKQV-LBPRGKRZSA-N 2 2 260.385 2.192 20 30 CEEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902761197 634814921 /nfs/dbraw/zinc/81/49/21/634814921.db2.gz MLIIMMMWLLXINU-ZFWWWQNUSA-N 2 2 272.396 2.336 20 30 CEEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902761197 634814922 /nfs/dbraw/zinc/81/49/22/634814922.db2.gz MLIIMMMWLLXINU-ZFWWWQNUSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@@H](C#N)OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000801938599 631364575 /nfs/dbraw/zinc/36/45/75/631364575.db2.gz IRYOJEWJDOBIAM-HNNXBMFYSA-N 2 2 290.411 2.304 20 30 CEEDLP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000988845595 631700584 /nfs/dbraw/zinc/70/05/84/631700584.db2.gz SZWAXAFKCHVLJJ-WFASDCNBSA-N 2 2 298.390 2.021 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620722 631832531 /nfs/dbraw/zinc/83/25/31/631832531.db2.gz XHFAYJSZVXYWIF-FUHWJXTLSA-N 2 2 298.434 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620722 631832542 /nfs/dbraw/zinc/83/25/42/631832542.db2.gz XHFAYJSZVXYWIF-FUHWJXTLSA-N 2 2 298.434 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620722 631832545 /nfs/dbraw/zinc/83/25/45/631832545.db2.gz XHFAYJSZVXYWIF-FUHWJXTLSA-N 2 2 298.434 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620722 631832552 /nfs/dbraw/zinc/83/25/52/631832552.db2.gz XHFAYJSZVXYWIF-FUHWJXTLSA-N 2 2 298.434 2.008 20 30 CEEDLP CCO[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+](C)C ZINC000926957405 632384751 /nfs/dbraw/zinc/38/47/51/632384751.db2.gz BFOGQMVTHWNUTE-DOTOQJQBSA-N 2 2 287.407 2.102 20 30 CEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817919492 633778121 /nfs/dbraw/zinc/77/81/21/633778121.db2.gz RUTFSTYXIXFFEE-UNEWFSDZSA-N 2 2 287.407 2.455 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902949792 634909581 /nfs/dbraw/zinc/90/95/81/634909581.db2.gz CNNKMKPUYSFWFZ-HIFRSBDPSA-N 2 2 271.364 2.460 20 30 CEEDLP C#CCOc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253754 640668073 /nfs/dbraw/zinc/66/80/73/640668073.db2.gz RMIZAKQLFIMPIC-MRXNPFEDSA-N 2 2 286.419 2.472 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253754 640668088 /nfs/dbraw/zinc/66/80/88/640668088.db2.gz RMIZAKQLFIMPIC-MRXNPFEDSA-N 2 2 286.419 2.472 20 30 CEEDLP C#CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253754 640668092 /nfs/dbraw/zinc/66/80/92/640668092.db2.gz RMIZAKQLFIMPIC-MRXNPFEDSA-N 2 2 286.419 2.472 20 30 CEEDLP C#CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253754 640668098 /nfs/dbraw/zinc/66/80/98/640668098.db2.gz RMIZAKQLFIMPIC-MRXNPFEDSA-N 2 2 286.419 2.472 20 30 CEEDLP COc1ccc(O)c(/C=[NH+]/C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846756868 641413732 /nfs/dbraw/zinc/41/37/32/641413732.db2.gz NNBBTSGEBZINAX-ZBPJJPRESA-N 2 2 262.353 2.160 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999502713 642492267 /nfs/dbraw/zinc/49/22/67/642492267.db2.gz LFVRVBJQOKDUHR-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C#CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000851900649 643215302 /nfs/dbraw/zinc/21/53/02/643215302.db2.gz GMFRPOAVCUKXAW-IRXDYDNUSA-N 2 2 274.408 2.042 20 30 CEEDLP C#CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000851900649 643215306 /nfs/dbraw/zinc/21/53/06/643215306.db2.gz GMFRPOAVCUKXAW-IRXDYDNUSA-N 2 2 274.408 2.042 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000865425355 647287515 /nfs/dbraw/zinc/28/75/15/647287515.db2.gz LKDNBAWXOLVFOW-UHFFFAOYSA-N 2 2 297.406 2.391 20 30 CEEDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866250274 647694738 /nfs/dbraw/zinc/69/47/38/647694738.db2.gz XWEHCVRODNQTCS-VXGBXAGGSA-N 2 2 261.369 2.255 20 30 CEEDLP C#C[C@@](C)(CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878661193 651156521 /nfs/dbraw/zinc/15/65/21/651156521.db2.gz ZVCGJBHGWJWPHM-ROUUACIJSA-N 2 2 286.419 2.015 20 30 CEEDLP C#C[C@@](C)(CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878661193 651156523 /nfs/dbraw/zinc/15/65/23/651156523.db2.gz ZVCGJBHGWJWPHM-ROUUACIJSA-N 2 2 286.419 2.015 20 30 CEEDLP C#CCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201936 651400769 /nfs/dbraw/zinc/40/07/69/651400769.db2.gz VGLLOKLELBCKMQ-KRWDZBQOSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201936 651400770 /nfs/dbraw/zinc/40/07/70/651400770.db2.gz VGLLOKLELBCKMQ-KRWDZBQOSA-N 2 2 278.440 2.413 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697904179 806751443 /nfs/dbraw/zinc/75/14/43/806751443.db2.gz NCGGETQRRBXGNT-AWEZNQCLSA-N 2 2 260.381 2.128 20 30 CEEDLP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267048425 803077352 /nfs/dbraw/zinc/07/73/52/803077352.db2.gz WPTMNAQFDSLIQQ-ZDUSSCGKSA-N 2 2 298.390 2.191 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450758104 808962207 /nfs/dbraw/zinc/96/22/07/808962207.db2.gz NMLGYQVHKABQPT-CVEARBPZSA-N 2 2 293.455 2.407 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450758104 808962209 /nfs/dbraw/zinc/96/22/09/808962209.db2.gz NMLGYQVHKABQPT-CVEARBPZSA-N 2 2 293.455 2.407 20 30 CEEDLP CC(C)[N@H+](Cc1cncc(C#N)c1)C1CC[NH+](C)CC1 ZINC001144086125 813947712 /nfs/dbraw/zinc/94/77/12/813947712.db2.gz MEROMUPNHARYRR-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP CC(C)[N@@H+](Cc1cncc(C#N)c1)C1CC[NH+](C)CC1 ZINC001144086125 813947717 /nfs/dbraw/zinc/94/77/17/813947717.db2.gz MEROMUPNHARYRR-UHFFFAOYSA-N 2 2 272.396 2.258 20 30 CEEDLP C=CCOC1CCC([NH2+]CC[NH+](CC)CC)CC1 ZINC001173309526 815664382 /nfs/dbraw/zinc/66/43/82/815664382.db2.gz WUUMUYSPEFIHQK-UHFFFAOYSA-N 2 2 254.418 2.432 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680857 /nfs/dbraw/zinc/68/08/57/815680857.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680864 /nfs/dbraw/zinc/68/08/64/815680864.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680866 /nfs/dbraw/zinc/68/08/66/815680866.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680870 /nfs/dbraw/zinc/68/08/70/815680870.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601328 815758726 /nfs/dbraw/zinc/75/87/26/815758726.db2.gz QSPGQXUWNUOODQ-UIDBIOKJSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601328 815758731 /nfs/dbraw/zinc/75/87/31/815758731.db2.gz QSPGQXUWNUOODQ-UIDBIOKJSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601328 815758734 /nfs/dbraw/zinc/75/87/34/815758734.db2.gz QSPGQXUWNUOODQ-UIDBIOKJSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173601328 815758739 /nfs/dbraw/zinc/75/87/39/815758739.db2.gz QSPGQXUWNUOODQ-UIDBIOKJSA-N 2 2 261.413 2.485 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206213908 815800568 /nfs/dbraw/zinc/80/05/68/815800568.db2.gz WOACVKZZBXRVHX-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Cl)c1 ZINC001206213908 815800575 /nfs/dbraw/zinc/80/05/75/815800575.db2.gz WOACVKZZBXRVHX-UONOGXRCSA-N 2 2 281.762 2.473 20 30 CEEDLP C#Cc1cc(Nc2ccc(OCC[NH+](C)C)cc2)cc[nH+]1 ZINC001176222726 816369436 /nfs/dbraw/zinc/36/94/36/816369436.db2.gz NEFBSPMBQDTHKP-UHFFFAOYSA-N 2 2 281.359 2.169 20 30 CEEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829275 816479589 /nfs/dbraw/zinc/47/95/89/816479589.db2.gz KEMTWNUOHXBCGI-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP C=CCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178350303 816723725 /nfs/dbraw/zinc/72/37/25/816723725.db2.gz RLGZPOFPYLJAOW-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)C1CC1 ZINC000090047212 344134076 /nfs/dbraw/zinc/13/40/76/344134076.db2.gz URLHDRUNXQBGKA-HOCLYGCPSA-N 2 2 266.429 2.432 20 30 CEEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602480856 347052760 /nfs/dbraw/zinc/05/27/60/347052760.db2.gz CWFRFFOONXBSNT-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602480856 347052762 /nfs/dbraw/zinc/05/27/62/347052762.db2.gz CWFRFFOONXBSNT-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602480856 347052764 /nfs/dbraw/zinc/05/27/64/347052764.db2.gz CWFRFFOONXBSNT-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602480856 347052766 /nfs/dbraw/zinc/05/27/66/347052766.db2.gz CWFRFFOONXBSNT-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000602514717 347063914 /nfs/dbraw/zinc/06/39/14/347063914.db2.gz LQDXYZZNLBLOMV-HZPDHXFCSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000602514717 347063916 /nfs/dbraw/zinc/06/39/16/347063916.db2.gz LQDXYZZNLBLOMV-HZPDHXFCSA-N 2 2 293.455 2.407 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000054183531 362518322 /nfs/dbraw/zinc/51/83/22/362518322.db2.gz UNVJQOKUGJNKLO-ZDUSSCGKSA-N 2 2 258.369 2.332 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000588206870 345042900 /nfs/dbraw/zinc/04/29/00/345042900.db2.gz LDNWCZNYZFGMPV-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000588206870 345042901 /nfs/dbraw/zinc/04/29/01/345042901.db2.gz LDNWCZNYZFGMPV-MRXNPFEDSA-N 2 2 280.331 2.002 20 30 CEEDLP N#CC1(c2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)CC1 ZINC000594922271 345702992 /nfs/dbraw/zinc/70/29/92/345702992.db2.gz JSFBBYHHQZWEKA-UHFFFAOYSA-N 2 2 299.418 2.054 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C#N ZINC000600710958 346675878 /nfs/dbraw/zinc/67/58/78/346675878.db2.gz QZVUNZHCIAJMEQ-GOEBONIOSA-N 2 2 255.365 2.051 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C#N ZINC000600710958 346675882 /nfs/dbraw/zinc/67/58/82/346675882.db2.gz QZVUNZHCIAJMEQ-GOEBONIOSA-N 2 2 255.365 2.051 20 30 CEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602711801 347164587 /nfs/dbraw/zinc/16/45/87/347164587.db2.gz QZSPLNTUWMFUAL-JKSUJKDBSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602711801 347164590 /nfs/dbraw/zinc/16/45/90/347164590.db2.gz QZSPLNTUWMFUAL-JKSUJKDBSA-N 2 2 279.428 2.113 20 30 CEEDLP N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844717 347221693 /nfs/dbraw/zinc/22/16/93/347221693.db2.gz DVDMAXNDDJMEHW-HNNXBMFYSA-N 2 2 283.379 2.037 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878131 347235128 /nfs/dbraw/zinc/23/51/28/347235128.db2.gz VYZGGPBEBPNXOC-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878131 347235132 /nfs/dbraw/zinc/23/51/32/347235132.db2.gz VYZGGPBEBPNXOC-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000610412796 347679902 /nfs/dbraw/zinc/67/99/02/347679902.db2.gz NEUOFLPLKXCLFF-CYBMUJFWSA-N 2 2 255.431 2.096 20 30 CEEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000610412796 347679904 /nfs/dbraw/zinc/67/99/04/347679904.db2.gz NEUOFLPLKXCLFF-CYBMUJFWSA-N 2 2 255.431 2.096 20 30 CEEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611260859 347760230 /nfs/dbraw/zinc/76/02/30/347760230.db2.gz MDLFRRIPLQAYCX-AWEZNQCLSA-N 2 2 275.396 2.218 20 30 CEEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611260859 347760236 /nfs/dbraw/zinc/76/02/36/347760236.db2.gz MDLFRRIPLQAYCX-AWEZNQCLSA-N 2 2 275.396 2.218 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000611268142 347761054 /nfs/dbraw/zinc/76/10/54/347761054.db2.gz SSVUDUWBPJPBLV-LBPRGKRZSA-N 2 2 256.309 2.185 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000611268142 347761056 /nfs/dbraw/zinc/76/10/56/347761056.db2.gz SSVUDUWBPJPBLV-LBPRGKRZSA-N 2 2 256.309 2.185 20 30 CEEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000612584862 347904589 /nfs/dbraw/zinc/90/45/89/347904589.db2.gz FDOBIBAABIBTQD-UHFFFAOYSA-N 2 2 272.396 2.185 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc(C#N)c1 ZINC000124310605 187132093 /nfs/dbraw/zinc/13/20/93/187132093.db2.gz NQLNQFGDQOUBFB-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc(C#N)c1 ZINC000124310605 187132094 /nfs/dbraw/zinc/13/20/94/187132094.db2.gz NQLNQFGDQOUBFB-UHFFFAOYSA-N 2 2 284.363 2.156 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292164551 198187320 /nfs/dbraw/zinc/18/73/20/198187320.db2.gz OWZMSXCPJFARFK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292164551 198187321 /nfs/dbraw/zinc/18/73/21/198187321.db2.gz OWZMSXCPJFARFK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292164551 198187323 /nfs/dbraw/zinc/18/73/23/198187323.db2.gz OWZMSXCPJFARFK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292164551 198187324 /nfs/dbraw/zinc/18/73/24/198187324.db2.gz OWZMSXCPJFARFK-QGZVFWFLSA-N 2 2 285.391 2.094 20 30 CEEDLP N#C[C@@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000577986854 366426537 /nfs/dbraw/zinc/42/65/37/366426537.db2.gz QYJATYSKPLOTOK-OCCSQVGLSA-N 2 2 267.336 2.431 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356870605 370799066 /nfs/dbraw/zinc/79/90/66/370799066.db2.gz OGAUOAWJVILAJQ-ZIAGYGMSSA-N 2 2 252.402 2.042 20 30 CEEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000275431193 193034132 /nfs/dbraw/zinc/03/41/32/193034132.db2.gz FIGFIPKYZPDORD-NVXWUHKLSA-N 2 2 296.374 2.302 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245417342 370816563 /nfs/dbraw/zinc/81/65/63/370816563.db2.gz FYWXRQGDQNVUFS-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245417342 370816555 /nfs/dbraw/zinc/81/65/55/370816555.db2.gz FYWXRQGDQNVUFS-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245417342 370816560 /nfs/dbraw/zinc/81/65/60/370816560.db2.gz FYWXRQGDQNVUFS-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245417342 370816566 /nfs/dbraw/zinc/81/65/66/370816566.db2.gz FYWXRQGDQNVUFS-JKSUJKDBSA-N 2 2 295.471 2.073 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000245954860 370893000 /nfs/dbraw/zinc/89/30/00/370893000.db2.gz BSDXUMZSPQLRMX-FGTMMUONSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000245954860 370892980 /nfs/dbraw/zinc/89/29/80/370892980.db2.gz BSDXUMZSPQLRMX-FGTMMUONSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000245954860 370892989 /nfs/dbraw/zinc/89/29/89/370892989.db2.gz BSDXUMZSPQLRMX-FGTMMUONSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000245954860 370892994 /nfs/dbraw/zinc/89/29/94/370892994.db2.gz BSDXUMZSPQLRMX-FGTMMUONSA-N 2 2 299.418 2.150 20 30 CEEDLP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000682533885 541677947 /nfs/dbraw/zinc/67/79/47/541677947.db2.gz ILVHCBXLQAIMLZ-ZBFHGGJFSA-N 2 2 259.397 2.458 20 30 CEEDLP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000682533885 541677950 /nfs/dbraw/zinc/67/79/50/541677950.db2.gz ILVHCBXLQAIMLZ-ZBFHGGJFSA-N 2 2 259.397 2.458 20 30 CEEDLP N#CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348332036 369007719 /nfs/dbraw/zinc/00/77/19/369007719.db2.gz SXYFOCOWAPJKIQ-CALCHBBNSA-N 2 2 281.403 2.354 20 30 CEEDLP N#CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348332036 369007725 /nfs/dbraw/zinc/00/77/25/369007725.db2.gz SXYFOCOWAPJKIQ-CALCHBBNSA-N 2 2 281.403 2.354 20 30 CEEDLP N#CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348332036 369007730 /nfs/dbraw/zinc/00/77/30/369007730.db2.gz SXYFOCOWAPJKIQ-CALCHBBNSA-N 2 2 281.403 2.354 20 30 CEEDLP N#CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348332036 369007735 /nfs/dbraw/zinc/00/77/35/369007735.db2.gz SXYFOCOWAPJKIQ-CALCHBBNSA-N 2 2 281.403 2.354 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000246449247 370961771 /nfs/dbraw/zinc/96/17/71/370961771.db2.gz NQRUMYIVNHJWJK-IUODEOHRSA-N 2 2 270.336 2.431 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000246449247 370961775 /nfs/dbraw/zinc/96/17/75/370961775.db2.gz NQRUMYIVNHJWJK-IUODEOHRSA-N 2 2 270.336 2.431 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221155715 370238947 /nfs/dbraw/zinc/23/89/47/370238947.db2.gz QWJHWZGRVLISGZ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221155715 370238949 /nfs/dbraw/zinc/23/89/49/370238949.db2.gz QWJHWZGRVLISGZ-OAHLLOKOSA-N 2 2 260.381 2.435 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccc(F)cc1 ZINC000264063841 371959028 /nfs/dbraw/zinc/95/90/28/371959028.db2.gz AJJQQSYYSWWZSF-HNNXBMFYSA-N 2 2 292.402 2.275 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000268909090 372282296 /nfs/dbraw/zinc/28/22/96/372282296.db2.gz SOYXKSDBKLZVAT-ZDUSSCGKSA-N 2 2 274.412 2.394 20 30 CEEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000353426387 220075669 /nfs/dbraw/zinc/07/56/69/220075669.db2.gz MCFUZLQAXGYAQE-INIZCTEOSA-N 2 2 255.365 2.231 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271181749 373165616 /nfs/dbraw/zinc/16/56/16/373165616.db2.gz LKBNPFBJEHEWKI-DOTOQJQBSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271181749 373165623 /nfs/dbraw/zinc/16/56/23/373165623.db2.gz LKBNPFBJEHEWKI-DOTOQJQBSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000371834838 373989041 /nfs/dbraw/zinc/98/90/41/373989041.db2.gz NRWCWNOCTFVBHF-KRWDZBQOSA-N 2 2 292.398 2.317 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334178027 206150555 /nfs/dbraw/zinc/15/05/55/206150555.db2.gz CRICCWIBOCONGY-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000334178027 206150557 /nfs/dbraw/zinc/15/05/57/206150557.db2.gz CRICCWIBOCONGY-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000277587099 374571803 /nfs/dbraw/zinc/57/18/03/374571803.db2.gz TVRJHQJQNPUQLO-UHFFFAOYSA-N 2 2 281.791 2.165 20 30 CEEDLP CC(C[NH2+][C@@H]1CCC[C@@H]1C#N)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000332329118 377569273 /nfs/dbraw/zinc/56/92/73/377569273.db2.gz PIWUXQJSZKXSOI-KLHDSHLOSA-N 2 2 274.412 2.186 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000333067187 377752532 /nfs/dbraw/zinc/75/25/32/377752532.db2.gz JNVJSNAGYWCIMW-STQMWFEESA-N 2 2 258.369 2.044 20 30 CEEDLP C=CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687044 377809484 /nfs/dbraw/zinc/80/94/84/377809484.db2.gz BXIUNZKNUCIYQP-LBPRGKRZSA-N 2 2 263.410 2.273 20 30 CEEDLP C=CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687044 377809488 /nfs/dbraw/zinc/80/94/88/377809488.db2.gz BXIUNZKNUCIYQP-LBPRGKRZSA-N 2 2 263.410 2.273 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000294535665 377994926 /nfs/dbraw/zinc/99/49/26/377994926.db2.gz AIHNOBLZONCOOP-CQSZACIVSA-N 2 2 262.401 2.070 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449548843 378216327 /nfs/dbraw/zinc/21/63/27/378216327.db2.gz RGAPQYMSGKWYTO-CVEARBPZSA-N 2 2 287.407 2.374 20 30 CEEDLP N#CC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000450437490 378416288 /nfs/dbraw/zinc/41/62/88/378416288.db2.gz KTFVYEBQTHIVTR-OAHLLOKOSA-N 2 2 261.413 2.488 20 30 CEEDLP N#CC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000450437490 378416294 /nfs/dbraw/zinc/41/62/94/378416294.db2.gz KTFVYEBQTHIVTR-OAHLLOKOSA-N 2 2 261.413 2.488 20 30 CEEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450459089 378429907 /nfs/dbraw/zinc/42/99/07/378429907.db2.gz ZNYZHRVZIWDABA-OAHLLOKOSA-N 2 2 261.413 2.344 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450459089 378429912 /nfs/dbraw/zinc/42/99/12/378429912.db2.gz ZNYZHRVZIWDABA-OAHLLOKOSA-N 2 2 261.413 2.344 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450459089 378429916 /nfs/dbraw/zinc/42/99/16/378429916.db2.gz ZNYZHRVZIWDABA-OAHLLOKOSA-N 2 2 261.413 2.344 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450459089 378429921 /nfs/dbraw/zinc/42/99/21/378429921.db2.gz ZNYZHRVZIWDABA-OAHLLOKOSA-N 2 2 261.413 2.344 20 30 CEEDLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328912440 394556451 /nfs/dbraw/zinc/55/64/51/394556451.db2.gz HGVSJOHVUQIJDH-GFCCVEGCSA-N 2 2 299.378 2.135 20 30 CEEDLP CCCNC(=[NH+]CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261954599 394609884 /nfs/dbraw/zinc/60/98/84/394609884.db2.gz IKKSPDCPNDKTRH-UONOGXRCSA-N 2 2 277.416 2.142 20 30 CEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335498672 394770875 /nfs/dbraw/zinc/77/08/75/394770875.db2.gz SLKCZYAGMBZART-GDBMZVCRSA-N 2 2 255.365 2.277 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339056678 394939757 /nfs/dbraw/zinc/93/97/57/394939757.db2.gz QBNQUDXLOPABLW-KKUMJFAQSA-N 2 2 272.396 2.367 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339056678 394939761 /nfs/dbraw/zinc/93/97/61/394939761.db2.gz QBNQUDXLOPABLW-KKUMJFAQSA-N 2 2 272.396 2.367 20 30 CEEDLP Cc1cc(NCCC[NH2+]C2CCCCC2)c(C#N)c[nH+]1 ZINC000425207929 395052049 /nfs/dbraw/zinc/05/20/49/395052049.db2.gz MCEHBSIWUXTVLV-UHFFFAOYSA-N 2 2 272.396 2.408 20 30 CEEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000178640460 395171073 /nfs/dbraw/zinc/17/10/73/395171073.db2.gz HCBHLNFZRBIYSL-UHFFFAOYSA-N 2 2 272.396 2.329 20 30 CEEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186241109 395286694 /nfs/dbraw/zinc/28/66/94/395286694.db2.gz FSPXUQZGIZTCCB-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186241109 395286696 /nfs/dbraw/zinc/28/66/96/395286696.db2.gz FSPXUQZGIZTCCB-KRWDZBQOSA-N 2 2 299.418 2.021 20 30 CEEDLP C=CCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000569899637 395580936 /nfs/dbraw/zinc/58/09/36/395580936.db2.gz GMLNRHMDSLDYQA-DLBZAZTESA-N 2 2 279.472 2.301 20 30 CEEDLP C=CCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000569899637 395580937 /nfs/dbraw/zinc/58/09/37/395580937.db2.gz GMLNRHMDSLDYQA-DLBZAZTESA-N 2 2 279.472 2.301 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000181782214 400289545 /nfs/dbraw/zinc/28/95/45/400289545.db2.gz WFSGSBIIZFDFNW-CABCVRRESA-N 2 2 287.407 2.177 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000651818923 401398770 /nfs/dbraw/zinc/39/87/70/401398770.db2.gz KLTLUGKIGIHUCN-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000651818923 401398771 /nfs/dbraw/zinc/39/87/71/401398771.db2.gz KLTLUGKIGIHUCN-OWCLPIDISA-N 2 2 266.429 2.168 20 30 CEEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccccc1)C2 ZINC000660664755 414923462 /nfs/dbraw/zinc/92/34/62/414923462.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccccc1)C2 ZINC000660664755 414923465 /nfs/dbraw/zinc/92/34/65/414923465.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#Cc1ccccc1)C2 ZINC000660664755 414923467 /nfs/dbraw/zinc/92/34/67/414923467.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000660664755 414923471 /nfs/dbraw/zinc/92/34/71/414923471.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 2 268.404 2.456 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657874759 415110209 /nfs/dbraw/zinc/11/02/09/415110209.db2.gz ACJCVQDZWHHORW-QGZVFWFLSA-N 2 2 296.455 2.058 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(OC)c1O ZINC000666768481 419422179 /nfs/dbraw/zinc/42/21/79/419422179.db2.gz GVKMLUISAMBIAK-HNNXBMFYSA-N 2 2 290.407 2.361 20 30 CEEDLP CC#CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364473007 262248173 /nfs/dbraw/zinc/24/81/73/262248173.db2.gz ZJFFRBWVDPODGZ-WFASDCNBSA-N 2 2 277.437 2.275 20 30 CEEDLP CC#CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364473007 262248174 /nfs/dbraw/zinc/24/81/74/262248174.db2.gz ZJFFRBWVDPODGZ-WFASDCNBSA-N 2 2 277.437 2.275 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1cccc(F)c1 ZINC000264133008 262877945 /nfs/dbraw/zinc/87/79/45/262877945.db2.gz ULXRGOXNYVTPOO-ZDUSSCGKSA-N 2 2 280.391 2.131 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]CC(C)(C)CCC#N)C2 ZINC000369690985 267259953 /nfs/dbraw/zinc/25/99/53/267259953.db2.gz ZPMVGJWBOFDUBW-ZDUSSCGKSA-N 2 2 260.385 2.426 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000582546770 329105458 /nfs/dbraw/zinc/10/54/58/329105458.db2.gz KVPMWULWOLOOEZ-XJKSGUPXSA-N 2 2 257.381 2.373 20 30 CEEDLP Cn1c[nH+]cc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000267816538 328180560 /nfs/dbraw/zinc/18/05/60/328180560.db2.gz VUWIAXBZZJPDKZ-UHFFFAOYSA-N 2 2 272.352 2.232 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000414935091 328275530 /nfs/dbraw/zinc/27/55/30/328275530.db2.gz CAGHVIVRKFOBOB-XJKSGUPXSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341322814 328406377 /nfs/dbraw/zinc/40/63/77/328406377.db2.gz OOHISIPOWDZZFP-HNNXBMFYSA-N 2 2 285.391 2.455 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000566792291 327461514 /nfs/dbraw/zinc/46/15/14/327461514.db2.gz PYVYNKXMANZVRG-CQSZACIVSA-N 2 2 274.412 2.427 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375266986 329002244 /nfs/dbraw/zinc/00/22/44/329002244.db2.gz HRONQADYTOPJMK-OLZOCXBDSA-N 2 2 258.369 2.391 20 30 CEEDLP C#CCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375275402 329002338 /nfs/dbraw/zinc/00/23/38/329002338.db2.gz NLJNAGVYPZCCMF-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP C#CCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375275402 329002339 /nfs/dbraw/zinc/00/23/39/329002339.db2.gz NLJNAGVYPZCCMF-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP C#CCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375275402 329002341 /nfs/dbraw/zinc/00/23/41/329002341.db2.gz NLJNAGVYPZCCMF-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP C#CCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375275402 329002343 /nfs/dbraw/zinc/00/23/43/329002343.db2.gz NLJNAGVYPZCCMF-DOTOQJQBSA-N 2 2 288.439 2.148 20 30 CEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C1CC1 ZINC000378454066 329051010 /nfs/dbraw/zinc/05/10/10/329051010.db2.gz PHMFMUGUFMEPEO-TWMKSMIVSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C1CC1 ZINC000378454066 329051011 /nfs/dbraw/zinc/05/10/11/329051011.db2.gz PHMFMUGUFMEPEO-TWMKSMIVSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000360055897 329070823 /nfs/dbraw/zinc/07/08/23/329070823.db2.gz GCYCVXHYUWYKJQ-FPCVCCKLSA-N 2 2 279.428 2.158 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCCC)COC)CC1 ZINC000177909917 329190142 /nfs/dbraw/zinc/19/01/42/329190142.db2.gz NZMSCVIGEMZIMN-HNNXBMFYSA-N 2 2 254.418 2.432 20 30 CEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC2(C1)CCCCC2 ZINC000262502721 330018263 /nfs/dbraw/zinc/01/82/63/330018263.db2.gz YXXVAOSKEPZBPN-UHFFFAOYSA-N 2 2 289.427 2.115 20 30 CEEDLP C=C(C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423032517 330166362 /nfs/dbraw/zinc/16/63/62/330166362.db2.gz WBDVTWRPGMGILK-HOCLYGCPSA-N 2 2 260.381 2.056 20 30 CEEDLP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1F ZINC000581899554 336162971 /nfs/dbraw/zinc/16/29/71/336162971.db2.gz YMIWDVURTZANJS-CQSZACIVSA-N 2 2 288.370 2.420 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682251 574490702 /nfs/dbraw/zinc/49/07/02/574490702.db2.gz YIYPGGPQAAGKAM-HIFRSBDPSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682251 574490703 /nfs/dbraw/zinc/49/07/03/574490703.db2.gz YIYPGGPQAAGKAM-HIFRSBDPSA-N 2 2 285.391 2.304 20 30 CEEDLP C#CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000747528005 575171594 /nfs/dbraw/zinc/17/15/94/575171594.db2.gz HOIGGDOMVMTDPE-MJGOQNOKSA-N 2 2 298.430 2.066 20 30 CEEDLP C#CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000747528005 575171595 /nfs/dbraw/zinc/17/15/95/575171595.db2.gz HOIGGDOMVMTDPE-MJGOQNOKSA-N 2 2 298.430 2.066 20 30 CEEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925531750 628133205 /nfs/dbraw/zinc/13/32/05/628133205.db2.gz NEUQIPBZCYFNJI-LSDHHAIUSA-N 2 2 252.402 2.186 20 30 CEEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925531750 628133210 /nfs/dbraw/zinc/13/32/10/628133210.db2.gz NEUQIPBZCYFNJI-LSDHHAIUSA-N 2 2 252.402 2.186 20 30 CEEDLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(C#N)c1 ZINC000925624627 628317904 /nfs/dbraw/zinc/31/79/04/628317904.db2.gz YZBZQDVKTTTWRC-QVILVFIQSA-N 2 2 267.376 2.205 20 30 CEEDLP C#CC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001026531487 628350387 /nfs/dbraw/zinc/35/03/87/628350387.db2.gz JTTXALMRXHLFLI-UHFFFAOYSA-N 2 2 299.418 2.271 20 30 CEEDLP CCCNC(=[NH2+])NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000104155495 628387318 /nfs/dbraw/zinc/38/73/18/628387318.db2.gz BFZLMKGDWBFZNK-OAHLLOKOSA-N 2 2 276.428 2.166 20 30 CEEDLP C#CC[N@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795931715 629716355 /nfs/dbraw/zinc/71/63/55/629716355.db2.gz IMZBGENMLPNTDN-UHFFFAOYSA-N 2 2 285.435 2.154 20 30 CEEDLP C#CC[N@@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000795931715 629716362 /nfs/dbraw/zinc/71/63/62/629716362.db2.gz IMZBGENMLPNTDN-UHFFFAOYSA-N 2 2 285.435 2.154 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000989182399 631745079 /nfs/dbraw/zinc/74/50/79/631745079.db2.gz LQRLTBVOLMNWET-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP C#C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809683324 632127335 /nfs/dbraw/zinc/12/73/35/632127335.db2.gz YYWUUEDKHQWSQY-CQSZACIVSA-N 2 2 271.408 2.333 20 30 CEEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817919491 633778025 /nfs/dbraw/zinc/77/80/25/633778025.db2.gz RUTFSTYXIXFFEE-LXZKKBNFSA-N 2 2 287.407 2.455 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000817952482 633797837 /nfs/dbraw/zinc/79/78/37/633797837.db2.gz QZEIAXMGEFTVGD-UKRRQHHQSA-N 2 2 258.365 2.101 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C)CC1 ZINC000819024383 634044312 /nfs/dbraw/zinc/04/43/12/634044312.db2.gz PILIZYNCFNYKQG-KRWDZBQOSA-N 2 2 274.408 2.268 20 30 CEEDLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000903380751 635093769 /nfs/dbraw/zinc/09/37/69/635093769.db2.gz OTIHBJBSJFRIKR-IMJJTQAJSA-N 2 2 272.396 2.356 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730240 650412823 /nfs/dbraw/zinc/41/28/23/650412823.db2.gz DIGLXWQJFCBEFT-OAHLLOKOSA-N 2 2 286.423 2.008 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730240 650412826 /nfs/dbraw/zinc/41/28/26/650412826.db2.gz DIGLXWQJFCBEFT-OAHLLOKOSA-N 2 2 286.423 2.008 20 30 CEEDLP CC(=[NH+]NCCCn1cc[nH+]c1)c1ccccc1N(C)C ZINC000848419159 641986860 /nfs/dbraw/zinc/98/68/60/641986860.db2.gz USMFICOBTOYTDS-UHFFFAOYSA-N 2 2 285.395 2.353 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000849026992 642240303 /nfs/dbraw/zinc/24/03/03/642240303.db2.gz RQOUBDPDPPQZFN-STQMWFEESA-N 2 2 278.400 2.399 20 30 CEEDLP CCCCCCCCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040270 642251328 /nfs/dbraw/zinc/25/13/28/642251328.db2.gz PYNMRMLYTSPUEA-UHFFFAOYSA-N 2 2 279.432 2.437 20 30 CEEDLP Cc1cc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc[nH+]1 ZINC000863159367 646658303 /nfs/dbraw/zinc/65/83/03/646658303.db2.gz NYUQFUNVCUVEFL-UHFFFAOYSA-N 2 2 283.379 2.498 20 30 CEEDLP C[NH+](C)C[C@](C)(C=[NH+]n1cccn1)c1ccccc1 ZINC000863163450 646660862 /nfs/dbraw/zinc/66/08/62/646660862.db2.gz DJGFFAPVLYFWIB-HNNXBMFYSA-N 2 2 256.353 2.237 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@@H+]1C ZINC000865475313 647313901 /nfs/dbraw/zinc/31/39/01/647313901.db2.gz KMVDAIPSSHSJFT-XJKSGUPXSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@H+]1C ZINC000865475313 647313905 /nfs/dbraw/zinc/31/39/05/647313905.db2.gz KMVDAIPSSHSJFT-XJKSGUPXSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@@H]1C[NH+]=C(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)N1 ZINC000779795949 647355676 /nfs/dbraw/zinc/35/56/76/647355676.db2.gz ZKAMBBBXFURMST-YAUDVCHMSA-N 2 2 297.406 2.221 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866263931 647703017 /nfs/dbraw/zinc/70/30/17/647703017.db2.gz VLCOHLDZIQFCEZ-OLZOCXBDSA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866263931 647703023 /nfs/dbraw/zinc/70/30/23/647703023.db2.gz VLCOHLDZIQFCEZ-OLZOCXBDSA-N 2 2 273.380 2.256 20 30 CEEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCO1 ZINC000792287994 648635720 /nfs/dbraw/zinc/63/57/20/648635720.db2.gz XZPJJHSTXUHNDG-ZWKOTPCHSA-N 2 2 295.386 2.451 20 30 CEEDLP C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000871787329 649186256 /nfs/dbraw/zinc/18/62/56/649186256.db2.gz VHHLRWQEMLKVHX-IUCAKERBSA-N 2 2 258.753 2.258 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586523 651327710 /nfs/dbraw/zinc/32/77/10/651327710.db2.gz MWEWCZAFUQRWBP-QGZVFWFLSA-N 2 2 298.434 2.165 20 30 CEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586523 651327713 /nfs/dbraw/zinc/32/77/13/651327713.db2.gz MWEWCZAFUQRWBP-QGZVFWFLSA-N 2 2 298.434 2.165 20 30 CEEDLP C#CCC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001266422303 802554595 /nfs/dbraw/zinc/55/45/95/802554595.db2.gz YGTLNIDFQUHBJM-INIZCTEOSA-N 2 2 299.418 2.128 20 30 CEEDLP C=CCC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267134391 803154278 /nfs/dbraw/zinc/15/42/78/803154278.db2.gz GMBAXFZOLZIBNJ-LBPRGKRZSA-N 2 2 286.379 2.237 20 30 CEEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267203629 803229764 /nfs/dbraw/zinc/22/97/64/803229764.db2.gz HHHFTQGSKWSHLW-OAHLLOKOSA-N 2 2 292.427 2.094 20 30 CEEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267203629 803229770 /nfs/dbraw/zinc/22/97/70/803229770.db2.gz HHHFTQGSKWSHLW-OAHLLOKOSA-N 2 2 292.427 2.094 20 30 CEEDLP C[N@H+](Cc1cncc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000721596864 803442232 /nfs/dbraw/zinc/44/22/32/803442232.db2.gz HHXURBVSEPXZFJ-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[N@@H+](Cc1cncc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000721596864 803442234 /nfs/dbraw/zinc/44/22/34/803442234.db2.gz HHXURBVSEPXZFJ-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1cncc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721596864 803442236 /nfs/dbraw/zinc/44/22/36/803442236.db2.gz HHXURBVSEPXZFJ-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1cncc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000721596864 803442239 /nfs/dbraw/zinc/44/22/39/803442239.db2.gz HHXURBVSEPXZFJ-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267813239 803749881 /nfs/dbraw/zinc/74/98/81/803749881.db2.gz QFYNRZOYNCZWEK-HNNXBMFYSA-N 2 2 287.407 2.128 20 30 CEEDLP CC#CC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272920810 808866830 /nfs/dbraw/zinc/86/68/30/808866830.db2.gz NWSUXWBJWGJZSO-CYBMUJFWSA-N 2 2 287.407 2.128 20 30 CEEDLP C#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001144579097 814115156 /nfs/dbraw/zinc/11/51/56/814115156.db2.gz YBPHBPYWNXRUKP-IAGOWNOFSA-N 2 2 254.377 2.051 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001144579097 814115160 /nfs/dbraw/zinc/11/51/60/814115160.db2.gz YBPHBPYWNXRUKP-IAGOWNOFSA-N 2 2 254.377 2.051 20 30 CEEDLP C=CCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445796 814127462 /nfs/dbraw/zinc/12/74/62/814127462.db2.gz DNDLTCVWMVEHDW-UHFFFAOYSA-N 2 2 298.390 2.237 20 30 CEEDLP C=C(C)C[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324105 816004417 /nfs/dbraw/zinc/00/44/17/816004417.db2.gz ZWWLXNJFQMFRHK-UHFFFAOYSA-N 2 2 294.468 2.293 20 30 CEEDLP C=C(C)C[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324105 816004424 /nfs/dbraw/zinc/00/44/24/816004424.db2.gz ZWWLXNJFQMFRHK-UHFFFAOYSA-N 2 2 294.468 2.293 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C#N ZINC000124400780 187136026 /nfs/dbraw/zinc/13/60/26/187136026.db2.gz WRWICVLZRANBJU-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C#N ZINC000124400780 187136027 /nfs/dbraw/zinc/13/60/27/187136027.db2.gz WRWICVLZRANBJU-UHFFFAOYSA-N 2 2 254.337 2.277 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144239 365527767 /nfs/dbraw/zinc/52/77/67/365527767.db2.gz YVOCDWUTBWUYLX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144239 365527776 /nfs/dbraw/zinc/52/77/76/365527776.db2.gz YVOCDWUTBWUYLX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144239 365527787 /nfs/dbraw/zinc/52/77/87/365527787.db2.gz YVOCDWUTBWUYLX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121144239 365527792 /nfs/dbraw/zinc/52/77/92/365527792.db2.gz YVOCDWUTBWUYLX-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1C ZINC000414357799 529808661 /nfs/dbraw/zinc/80/86/61/529808661.db2.gz FAXKDEGMCABZDS-UHFFFAOYSA-N 2 2 295.390 2.137 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000602479282 347052081 /nfs/dbraw/zinc/05/20/81/347052081.db2.gz ZUZZUVUGDYTYOR-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000602479282 347052083 /nfs/dbraw/zinc/05/20/83/347052083.db2.gz ZUZZUVUGDYTYOR-QGZVFWFLSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484161 347054974 /nfs/dbraw/zinc/05/49/74/347054974.db2.gz HWZMIWWYXXABMM-RDTXWAMCSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000602484161 347054979 /nfs/dbraw/zinc/05/49/79/347054979.db2.gz HWZMIWWYXXABMM-RDTXWAMCSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000602484161 347054980 /nfs/dbraw/zinc/05/49/80/347054980.db2.gz HWZMIWWYXXABMM-RDTXWAMCSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000602484161 347054983 /nfs/dbraw/zinc/05/49/83/347054983.db2.gz HWZMIWWYXXABMM-RDTXWAMCSA-N 2 2 296.418 2.402 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602544541 347071542 /nfs/dbraw/zinc/07/15/42/347071542.db2.gz KVECPXLQZKIQSJ-CQSZACIVSA-N 2 2 272.396 2.163 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602544541 347071545 /nfs/dbraw/zinc/07/15/45/347071545.db2.gz KVECPXLQZKIQSJ-CQSZACIVSA-N 2 2 272.396 2.163 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000602562911 347079325 /nfs/dbraw/zinc/07/93/25/347079325.db2.gz IIFIATWLYIAOOV-GDBMZVCRSA-N 2 2 291.439 2.159 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000602562911 347079331 /nfs/dbraw/zinc/07/93/31/347079331.db2.gz IIFIATWLYIAOOV-GDBMZVCRSA-N 2 2 291.439 2.159 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@H](C#N)C3)cn21 ZINC000592402396 345350765 /nfs/dbraw/zinc/35/07/65/345350765.db2.gz HRLFNOVNZSFTGN-KBPBESRZSA-N 2 2 268.364 2.467 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1C#N ZINC000592437325 345353441 /nfs/dbraw/zinc/35/34/41/345353441.db2.gz HNCNWJQHKWWRGY-MRXNPFEDSA-N 2 2 285.391 2.331 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505229 345798121 /nfs/dbraw/zinc/79/81/21/345798121.db2.gz QXXIIBOYSSBYJR-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505229 345798125 /nfs/dbraw/zinc/79/81/25/345798125.db2.gz QXXIIBOYSSBYJR-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505229 345798129 /nfs/dbraw/zinc/79/81/29/345798129.db2.gz QXXIIBOYSSBYJR-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505229 345798132 /nfs/dbraw/zinc/79/81/32/345798132.db2.gz QXXIIBOYSSBYJR-GOSISDBHSA-N 2 2 299.418 2.485 20 30 CEEDLP N#Cc1cccc(C2([NH2+]CCn3cc[nH+]c3)CCOCC2)c1 ZINC000595763790 345870205 /nfs/dbraw/zinc/87/02/05/345870205.db2.gz CXMFZTYVISQGMK-UHFFFAOYSA-N 2 2 296.374 2.050 20 30 CEEDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890736 345908081 /nfs/dbraw/zinc/90/80/81/345908081.db2.gz FITAHWQVPYGPAV-SECBINFHSA-N 2 2 271.286 2.356 20 30 CEEDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890736 345908084 /nfs/dbraw/zinc/90/80/84/345908084.db2.gz FITAHWQVPYGPAV-SECBINFHSA-N 2 2 271.286 2.356 20 30 CEEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602711799 347164556 /nfs/dbraw/zinc/16/45/56/347164556.db2.gz QZSPLNTUWMFUAL-HOTGVXAUSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602711799 347164560 /nfs/dbraw/zinc/16/45/60/347164560.db2.gz QZSPLNTUWMFUAL-HOTGVXAUSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748962 349232449 /nfs/dbraw/zinc/23/24/49/349232449.db2.gz ZLRQYUPXORWABM-YGRLFVJLSA-N 2 2 263.772 2.251 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748962 349232453 /nfs/dbraw/zinc/23/24/53/349232453.db2.gz ZLRQYUPXORWABM-YGRLFVJLSA-N 2 2 263.772 2.251 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091960627 180292386 /nfs/dbraw/zinc/29/23/86/180292386.db2.gz NQRUMYIVNHJWJK-WFASDCNBSA-N 2 2 270.336 2.431 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091960627 180292389 /nfs/dbraw/zinc/29/23/89/180292389.db2.gz NQRUMYIVNHJWJK-WFASDCNBSA-N 2 2 270.336 2.431 20 30 CEEDLP N#CCSCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131803944 366088880 /nfs/dbraw/zinc/08/88/80/366088880.db2.gz PUJZIEXUYRXTBQ-CQSZACIVSA-N 2 2 277.393 2.182 20 30 CEEDLP N#CCSCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131803944 366088885 /nfs/dbraw/zinc/08/88/85/366088885.db2.gz PUJZIEXUYRXTBQ-CQSZACIVSA-N 2 2 277.393 2.182 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003129 363507104 /nfs/dbraw/zinc/50/71/04/363507104.db2.gz LNVRXYAPNDFNIA-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003129 363507107 /nfs/dbraw/zinc/50/71/07/363507107.db2.gz LNVRXYAPNDFNIA-INIZCTEOSA-N 2 2 295.471 2.075 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848832 366406189 /nfs/dbraw/zinc/40/61/89/366406189.db2.gz HZFYHIVIHVVQBF-KSSFIOAISA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)[NH+]1CCC(C)CC1 ZINC000578316335 366476050 /nfs/dbraw/zinc/47/60/50/366476050.db2.gz XEUFXEQYRQTBIV-CABCVRRESA-N 2 2 262.401 2.140 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000153043945 366725502 /nfs/dbraw/zinc/72/55/02/366725502.db2.gz GCJFETXRUDMJGM-UHFFFAOYSA-N 3 2 279.472 2.489 20 30 CEEDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487711 367354148 /nfs/dbraw/zinc/35/41/48/367354148.db2.gz PMGFZISFWVLZHJ-CZUORRHYSA-N 2 2 257.381 2.031 20 30 CEEDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000341487711 367354150 /nfs/dbraw/zinc/35/41/50/367354150.db2.gz PMGFZISFWVLZHJ-CZUORRHYSA-N 2 2 257.381 2.031 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176942451 368254995 /nfs/dbraw/zinc/25/49/95/368254995.db2.gz XZSDPJOMUAWPHL-CYBMUJFWSA-N 2 2 293.436 2.066 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176942451 368254999 /nfs/dbraw/zinc/25/49/99/368254999.db2.gz XZSDPJOMUAWPHL-CYBMUJFWSA-N 2 2 293.436 2.066 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202747 370950052 /nfs/dbraw/zinc/95/00/52/370950052.db2.gz NAAUCACVQRJVIY-DYVFJYSZSA-N 2 2 285.391 2.009 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202746 370949823 /nfs/dbraw/zinc/94/98/23/370949823.db2.gz NAAUCACVQRJVIY-CXAGYDPISA-N 2 2 285.391 2.009 20 30 CEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202746 370949828 /nfs/dbraw/zinc/94/98/28/370949828.db2.gz NAAUCACVQRJVIY-CXAGYDPISA-N 2 2 285.391 2.009 20 30 CEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202747 370950046 /nfs/dbraw/zinc/95/00/46/370950046.db2.gz NAAUCACVQRJVIY-DYVFJYSZSA-N 2 2 285.391 2.009 20 30 CEEDLP CN(Cc1c[nH+]c2ccc(C#N)cn12)CC1([NH+](C)C)CCC1 ZINC000189003987 369441369 /nfs/dbraw/zinc/44/13/69/369441369.db2.gz HZKNDZGUAWRGME-UHFFFAOYSA-N 2 2 297.406 2.122 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057988 369769691 /nfs/dbraw/zinc/76/96/91/369769691.db2.gz ZLYLFUOZPJJAAP-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057988 369769697 /nfs/dbraw/zinc/76/96/97/369769697.db2.gz ZLYLFUOZPJJAAP-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057988 369769703 /nfs/dbraw/zinc/76/97/03/369769703.db2.gz ZLYLFUOZPJJAAP-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057988 369769707 /nfs/dbraw/zinc/76/97/07/369769707.db2.gz ZLYLFUOZPJJAAP-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP N#Cc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000352838873 369906765 /nfs/dbraw/zinc/90/67/65/369906765.db2.gz GUTBFEKWUBVUFL-UHFFFAOYSA-N 2 2 299.403 2.168 20 30 CEEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000354078478 370206235 /nfs/dbraw/zinc/20/62/35/370206235.db2.gz SHGJELHRJHZHHG-AWEZNQCLSA-N 2 2 273.380 2.315 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000354078478 370206242 /nfs/dbraw/zinc/20/62/42/370206242.db2.gz SHGJELHRJHZHHG-AWEZNQCLSA-N 2 2 273.380 2.315 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000354078478 370206247 /nfs/dbraw/zinc/20/62/47/370206247.db2.gz SHGJELHRJHZHHG-AWEZNQCLSA-N 2 2 273.380 2.315 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000354078478 370206252 /nfs/dbraw/zinc/20/62/52/370206252.db2.gz SHGJELHRJHZHHG-AWEZNQCLSA-N 2 2 273.380 2.315 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(OC)s2)CC1 ZINC000638525392 370591772 /nfs/dbraw/zinc/59/17/72/370591772.db2.gz XKBOFYKZTSNDHR-UHFFFAOYSA-N 2 2 281.425 2.282 20 30 CEEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359878289 371492132 /nfs/dbraw/zinc/49/21/32/371492132.db2.gz QPOWBLQFCZDEHI-AWEZNQCLSA-N 2 2 257.381 2.047 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360929504 371547731 /nfs/dbraw/zinc/54/77/31/371547731.db2.gz XNLRCOAVYSCKBI-FGTMMUONSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360929504 371547738 /nfs/dbraw/zinc/54/77/38/371547738.db2.gz XNLRCOAVYSCKBI-FGTMMUONSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360929504 371547742 /nfs/dbraw/zinc/54/77/42/371547742.db2.gz XNLRCOAVYSCKBI-FGTMMUONSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360929504 371547751 /nfs/dbraw/zinc/54/77/51/371547751.db2.gz XNLRCOAVYSCKBI-FGTMMUONSA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360929505 371548669 /nfs/dbraw/zinc/54/86/69/371548669.db2.gz XNLRCOAVYSCKBI-KURKYZTESA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360929505 371548672 /nfs/dbraw/zinc/54/86/72/371548672.db2.gz XNLRCOAVYSCKBI-KURKYZTESA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360929505 371548675 /nfs/dbraw/zinc/54/86/75/371548675.db2.gz XNLRCOAVYSCKBI-KURKYZTESA-N 2 2 281.403 2.474 20 30 CEEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360929505 371548679 /nfs/dbraw/zinc/54/86/79/371548679.db2.gz XNLRCOAVYSCKBI-KURKYZTESA-N 2 2 281.403 2.474 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccc(F)cc1 ZINC000264073028 371962742 /nfs/dbraw/zinc/96/27/42/371962742.db2.gz DRONAUYSXMPLAT-ZDUSSCGKSA-N 2 2 280.391 2.131 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264076471 371963142 /nfs/dbraw/zinc/96/31/42/371963142.db2.gz FXUXHODOKNFCBK-OAHLLOKOSA-N 2 2 276.428 2.254 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264100298 371971200 /nfs/dbraw/zinc/97/12/00/371971200.db2.gz MQDFCDLOTSOJPL-WFASDCNBSA-N 2 2 292.427 2.001 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274350630 373890884 /nfs/dbraw/zinc/89/08/84/373890884.db2.gz KNVLNTOVGAAAOY-JQHSSLGASA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000274350630 373890892 /nfs/dbraw/zinc/89/08/92/373890892.db2.gz KNVLNTOVGAAAOY-JQHSSLGASA-N 2 2 288.435 2.424 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)o1 ZINC000371403245 373870008 /nfs/dbraw/zinc/87/00/08/373870008.db2.gz MIWKMMSRRVPRQA-WQVCFCJDSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)o1 ZINC000371403245 373870017 /nfs/dbraw/zinc/87/00/17/373870017.db2.gz MIWKMMSRRVPRQA-WQVCFCJDSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)o1 ZINC000371403245 373870025 /nfs/dbraw/zinc/87/00/25/373870025.db2.gz MIWKMMSRRVPRQA-WQVCFCJDSA-N 2 2 271.364 2.067 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)o1 ZINC000371403245 373870027 /nfs/dbraw/zinc/87/00/27/373870027.db2.gz MIWKMMSRRVPRQA-WQVCFCJDSA-N 2 2 271.364 2.067 20 30 CEEDLP CCC#C[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684629127 542048993 /nfs/dbraw/zinc/04/89/93/542048993.db2.gz ZINCJWFXGNIICR-AWEZNQCLSA-N 2 2 273.380 2.014 20 30 CEEDLP C#CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000290161413 376665495 /nfs/dbraw/zinc/66/54/95/376665495.db2.gz XNYSHUDSCPOJNH-UHFFFAOYSA-N 2 2 271.339 2.237 20 30 CEEDLP C#CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000290161413 376665499 /nfs/dbraw/zinc/66/54/99/376665499.db2.gz XNYSHUDSCPOJNH-UHFFFAOYSA-N 2 2 271.339 2.237 20 30 CEEDLP COCC[NH2+]CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423336594 377267671 /nfs/dbraw/zinc/26/76/71/377267671.db2.gz QMWPFUVIRMVEDO-QGZVFWFLSA-N 2 2 287.407 2.151 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000335281666 208092839 /nfs/dbraw/zinc/09/28/39/208092839.db2.gz JOUOTXJSVAQGRO-MRXNPFEDSA-N 2 2 257.381 2.474 20 30 CEEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000335281666 208092843 /nfs/dbraw/zinc/09/28/43/208092843.db2.gz JOUOTXJSVAQGRO-MRXNPFEDSA-N 2 2 257.381 2.474 20 30 CEEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000036984833 394495872 /nfs/dbraw/zinc/49/58/72/394495872.db2.gz LGLIGGZIKHDQIR-CQSZACIVSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000261977704 394610905 /nfs/dbraw/zinc/61/09/05/394610905.db2.gz GTYYNLFORUIVRN-LLVKDONJSA-N 2 2 294.468 2.198 20 30 CEEDLP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC000261977704 394610907 /nfs/dbraw/zinc/61/09/07/394610907.db2.gz GTYYNLFORUIVRN-LLVKDONJSA-N 2 2 294.468 2.198 20 30 CEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC1 ZINC000262102671 394613221 /nfs/dbraw/zinc/61/32/21/394613221.db2.gz JCOUGVQCOWQAQC-CQSZACIVSA-N 2 2 290.411 2.134 20 30 CEEDLP Cc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C#N)c[nH+]1 ZINC000333586869 394649086 /nfs/dbraw/zinc/64/90/86/394649086.db2.gz ONNZRVOCDBECRI-KGLIPLIRSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000414127134 394710212 /nfs/dbraw/zinc/71/02/12/394710212.db2.gz PPEYSGFAURKWAH-LLVKDONJSA-N 2 2 272.327 2.324 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)[C@H]2SC)CC1 ZINC000362309028 394852710 /nfs/dbraw/zinc/85/27/10/394852710.db2.gz NTXBOXBOJJFLLF-ILXRZTDVSA-N 2 2 284.469 2.135 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339056681 394938941 /nfs/dbraw/zinc/93/89/41/394938941.db2.gz QBNQUDXLOPABLW-QLFBSQMISA-N 2 2 272.396 2.367 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339056681 394938944 /nfs/dbraw/zinc/93/89/44/394938944.db2.gz QBNQUDXLOPABLW-QLFBSQMISA-N 2 2 272.396 2.367 20 30 CEEDLP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000284143351 394942083 /nfs/dbraw/zinc/94/20/83/394942083.db2.gz OYFAFZDBMBKGJR-IYBDPMFKSA-N 2 2 294.402 2.481 20 30 CEEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134158 394945233 /nfs/dbraw/zinc/94/52/33/394945233.db2.gz HCTJFPMGBPHNEE-VNHYZAJKSA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134158 394945237 /nfs/dbraw/zinc/94/52/37/394945237.db2.gz HCTJFPMGBPHNEE-VNHYZAJKSA-N 2 2 257.337 2.227 20 30 CEEDLP CC#CC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000339763519 394970552 /nfs/dbraw/zinc/97/05/52/394970552.db2.gz NMWANYZNZYKGHP-UHFFFAOYSA-N 2 2 285.435 2.154 20 30 CEEDLP CC#CC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000339763519 394970553 /nfs/dbraw/zinc/97/05/53/394970553.db2.gz NMWANYZNZYKGHP-UHFFFAOYSA-N 2 2 285.435 2.154 20 30 CEEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000373376137 395059761 /nfs/dbraw/zinc/05/97/61/395059761.db2.gz GNKBVYYNQDUVMH-AWEZNQCLSA-N 2 2 280.437 2.239 20 30 CEEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cn1 ZINC000569305624 395576281 /nfs/dbraw/zinc/57/62/81/395576281.db2.gz XNJOSQNARVRVPM-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cn1 ZINC000569305624 395576283 /nfs/dbraw/zinc/57/62/83/395576283.db2.gz XNJOSQNARVRVPM-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cn1 ZINC000569305624 395576285 /nfs/dbraw/zinc/57/62/85/395576285.db2.gz XNJOSQNARVRVPM-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cn1 ZINC000569305624 395576288 /nfs/dbraw/zinc/57/62/88/395576288.db2.gz XNJOSQNARVRVPM-MRXNPFEDSA-N 2 2 272.396 2.259 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000570565083 395582665 /nfs/dbraw/zinc/58/26/65/395582665.db2.gz XMHUOBVMPCIWAP-WLYUNCDWSA-N 2 2 260.385 2.036 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000574924573 395641318 /nfs/dbraw/zinc/64/13/18/395641318.db2.gz XLQIJHSLUOEKRB-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000574924573 395641319 /nfs/dbraw/zinc/64/13/19/395641319.db2.gz XLQIJHSLUOEKRB-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000651818904 401398585 /nfs/dbraw/zinc/39/85/85/401398585.db2.gz KCDNSBNFIZGZQK-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000651818904 401398587 /nfs/dbraw/zinc/39/85/87/401398587.db2.gz KCDNSBNFIZGZQK-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000363264713 156020273 /nfs/dbraw/zinc/02/02/73/156020273.db2.gz QMYGQGHHRUBXGS-UHFFFAOYSA-N 2 2 279.303 2.022 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655713278 415405458 /nfs/dbraw/zinc/40/54/58/415405458.db2.gz WZLGJBPQMGKBQF-HNNXBMFYSA-N 2 2 274.412 2.348 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666766917 419421226 /nfs/dbraw/zinc/42/12/26/419421226.db2.gz KCABBBCRKUOIPC-HNNXBMFYSA-N 2 2 290.407 2.492 20 30 CEEDLP Cc1ccc([C@H](CNC(=[NH2+])NCC(C)C)[NH+](C)C)cc1 ZINC000104176091 260620723 /nfs/dbraw/zinc/62/07/23/260620723.db2.gz ONGHEBANGUQZNS-HNNXBMFYSA-N 2 2 276.428 2.158 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccco1 ZINC000273331197 263015655 /nfs/dbraw/zinc/01/56/55/263015655.db2.gz JTHYADWGYKTABV-ZDUSSCGKSA-N 2 2 278.400 2.071 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000295123590 263172663 /nfs/dbraw/zinc/17/26/63/263172663.db2.gz YYYLXZFXZPQLOC-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000295123590 263172664 /nfs/dbraw/zinc/17/26/64/263172664.db2.gz YYYLXZFXZPQLOC-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341308141 263332939 /nfs/dbraw/zinc/33/29/39/263332939.db2.gz WVBKUXWZQKOIDV-BPQIPLTHSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341308141 263332942 /nfs/dbraw/zinc/33/29/42/263332942.db2.gz WVBKUXWZQKOIDV-BPQIPLTHSA-N 2 2 288.435 2.424 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341883542 274337813 /nfs/dbraw/zinc/33/78/13/274337813.db2.gz FGYZACHJQHAPEC-DQYPLSBCSA-N 2 2 269.392 2.475 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341883542 274337816 /nfs/dbraw/zinc/33/78/16/274337816.db2.gz FGYZACHJQHAPEC-DQYPLSBCSA-N 2 2 269.392 2.475 20 30 CEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335498675 279529013 /nfs/dbraw/zinc/52/90/13/279529013.db2.gz SLKCZYAGMBZART-ZBFHGGJFSA-N 2 2 255.365 2.277 20 30 CEEDLP C=CCOc1cccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)c1 ZINC000414946189 328279173 /nfs/dbraw/zinc/27/91/73/328279173.db2.gz RWKIQBHDNGZTMH-QGZVFWFLSA-N 2 2 290.407 2.110 20 30 CEEDLP C#CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000178052861 329192130 /nfs/dbraw/zinc/19/21/30/329192130.db2.gz GYQOBDNANDDHBA-UHFFFAOYSA-N 2 2 257.381 2.049 20 30 CEEDLP C=CCC1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000423151177 330172788 /nfs/dbraw/zinc/17/27/88/330172788.db2.gz CUAPOKCPTKWADV-LSDHHAIUSA-N 2 2 266.429 2.480 20 30 CEEDLP C#CC[N@@H+](CC#CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000490935801 332130832 /nfs/dbraw/zinc/13/08/32/332130832.db2.gz OONRICDKSOESFJ-UHFFFAOYSA-N 2 2 278.359 2.034 20 30 CEEDLP C#CC[N@H+](CC#CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000490935801 332130833 /nfs/dbraw/zinc/13/08/33/332130833.db2.gz OONRICDKSOESFJ-UHFFFAOYSA-N 2 2 278.359 2.034 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185523560 333142811 /nfs/dbraw/zinc/14/28/11/333142811.db2.gz ZTNAGZTXJVGWGV-UHFFFAOYSA-N 2 2 264.344 2.271 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344370815 526950279 /nfs/dbraw/zinc/95/02/79/526950279.db2.gz NONNSPPEDNKIAI-DZGCQCFKSA-N 2 2 260.381 2.291 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344370815 526950286 /nfs/dbraw/zinc/95/02/86/526950286.db2.gz NONNSPPEDNKIAI-DZGCQCFKSA-N 2 2 260.381 2.291 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191407671 535597433 /nfs/dbraw/zinc/59/74/33/535597433.db2.gz VLGAQLRYTUUEFC-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191407671 535597438 /nfs/dbraw/zinc/59/74/38/535597438.db2.gz VLGAQLRYTUUEFC-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000328141414 627858862 /nfs/dbraw/zinc/85/88/62/627858862.db2.gz BTXASHMJGHBRBY-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000328141414 627858866 /nfs/dbraw/zinc/85/88/66/627858866.db2.gz BTXASHMJGHBRBY-UHFFFAOYSA-N 2 2 295.770 2.293 20 30 CEEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NCC1CCC1 ZINC000261992757 629415134 /nfs/dbraw/zinc/41/51/34/629415134.db2.gz MSGCOVYOUPNDPK-UHFFFAOYSA-N 2 2 283.379 2.077 20 30 CEEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000817942294 633789942 /nfs/dbraw/zinc/78/99/42/633789942.db2.gz NRNWCCIIGMZACO-FRFSOERESA-N 2 2 286.423 2.424 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070307 634966189 /nfs/dbraw/zinc/96/61/89/634966189.db2.gz TWCKZBHPLJSESG-ZFWWWQNUSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070307 634966192 /nfs/dbraw/zinc/96/61/92/634966192.db2.gz TWCKZBHPLJSESG-ZFWWWQNUSA-N 2 2 272.396 2.336 20 30 CEEDLP C=CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000905776497 636434611 /nfs/dbraw/zinc/43/46/11/636434611.db2.gz DNLXHXBGWHSRFB-HNNXBMFYSA-N 2 2 282.428 2.204 20 30 CEEDLP C[C@@H](C[NH2+]Cc1cc(C#N)cnc1Cl)C[NH+]1CCCC1 ZINC000876946817 650500579 /nfs/dbraw/zinc/50/05/79/650500579.db2.gz VQLPNQRFRMXMEV-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC(C)C ZINC000072593292 641942511 /nfs/dbraw/zinc/94/25/11/641942511.db2.gz WUANHWMTRZFTMX-CQSZACIVSA-N 2 2 292.427 2.380 20 30 CEEDLP CC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N)cc1C ZINC000848417516 641985936 /nfs/dbraw/zinc/98/59/36/641985936.db2.gz AUUMYEDTKAELPU-UHFFFAOYSA-N 2 2 271.368 2.178 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000848912791 642187091 /nfs/dbraw/zinc/18/70/91/642187091.db2.gz VXZLGFAANUKDPP-HZPDHXFCSA-N 2 2 278.440 2.267 20 30 CEEDLP CNC(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)=[NH+]C ZINC000848981416 642203606 /nfs/dbraw/zinc/20/36/06/642203606.db2.gz SJHUOFNFUCPEIF-AWEZNQCLSA-N 2 2 294.830 2.272 20 30 CEEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000857235578 644864891 /nfs/dbraw/zinc/86/48/91/644864891.db2.gz UVIPROYMZRCCDS-MRXNPFEDSA-N 2 2 298.390 2.263 20 30 CEEDLP C[N@@H+]1CCCC[C@@H]1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769378888 646254832 /nfs/dbraw/zinc/25/48/32/646254832.db2.gz VSNWLOCJXZFRGO-CQSZACIVSA-N 2 2 279.359 2.337 20 30 CEEDLP C[N@H+]1CCCC[C@@H]1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769378888 646254836 /nfs/dbraw/zinc/25/48/36/646254836.db2.gz VSNWLOCJXZFRGO-CQSZACIVSA-N 2 2 279.359 2.337 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769557671 646286929 /nfs/dbraw/zinc/28/69/29/646286929.db2.gz OJBQNANDOFWFDL-UHFFFAOYSA-N 2 2 276.315 2.058 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187627 647207009 /nfs/dbraw/zinc/20/70/09/647207009.db2.gz AZTBPIWVMWLWDU-ZFWWWQNUSA-N 2 2 296.374 2.279 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2CC2)cc1 ZINC000783559776 647729247 /nfs/dbraw/zinc/72/92/47/647729247.db2.gz TYYAZYZQRLYSAB-UHFFFAOYSA-N 2 2 261.369 2.185 20 30 CEEDLP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000866315107 647732736 /nfs/dbraw/zinc/73/27/36/647732736.db2.gz QPICKFZOSNCDDX-GFCCVEGCSA-N 2 2 271.364 2.176 20 30 CEEDLP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000866315107 647732740 /nfs/dbraw/zinc/73/27/40/647732740.db2.gz QPICKFZOSNCDDX-GFCCVEGCSA-N 2 2 271.364 2.176 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000883131125 652372421 /nfs/dbraw/zinc/37/24/21/652372421.db2.gz IBNKCCVYMUZPFP-UHFFFAOYSA-N 2 2 265.426 2.311 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000883131125 652372423 /nfs/dbraw/zinc/37/24/23/652372423.db2.gz IBNKCCVYMUZPFP-UHFFFAOYSA-N 2 2 265.426 2.311 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000883131370 652372592 /nfs/dbraw/zinc/37/25/92/652372592.db2.gz ZBCHPCPYLFFLGB-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000883131370 652372597 /nfs/dbraw/zinc/37/25/97/652372597.db2.gz ZBCHPCPYLFFLGB-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000883131262 652372943 /nfs/dbraw/zinc/37/29/43/652372943.db2.gz SGFOQCGWVDZYKJ-UHFFFAOYSA-N 2 2 297.402 2.310 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000883131262 652372946 /nfs/dbraw/zinc/37/29/46/652372946.db2.gz SGFOQCGWVDZYKJ-UHFFFAOYSA-N 2 2 297.402 2.310 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000883131876 652373581 /nfs/dbraw/zinc/37/35/81/652373581.db2.gz WVFXNZXLSLDRTB-UHFFFAOYSA-N 2 2 294.402 2.188 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000883131876 652373587 /nfs/dbraw/zinc/37/35/87/652373587.db2.gz WVFXNZXLSLDRTB-UHFFFAOYSA-N 2 2 294.402 2.188 20 30 CEEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883165163 652385227 /nfs/dbraw/zinc/38/52/27/652385227.db2.gz XUFKCHQBBRRYRV-GJZGRUSLSA-N 2 2 263.385 2.377 20 30 CEEDLP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267048423 803077199 /nfs/dbraw/zinc/07/71/99/803077199.db2.gz WPTMNAQFDSLIQQ-CYBMUJFWSA-N 2 2 298.390 2.191 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000385533278 804130376 /nfs/dbraw/zinc/13/03/76/804130376.db2.gz RVKLTIHKCSLTIU-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000385533278 804130386 /nfs/dbraw/zinc/13/03/86/804130386.db2.gz RVKLTIHKCSLTIU-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235988294 807907414 /nfs/dbraw/zinc/90/74/14/807907414.db2.gz GLYIXNHWLSEDOM-ZBFHGGJFSA-N 2 2 258.365 2.175 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235988294 807907419 /nfs/dbraw/zinc/90/74/19/807907419.db2.gz GLYIXNHWLSEDOM-ZBFHGGJFSA-N 2 2 258.365 2.175 20 30 CEEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001044648480 811518793 /nfs/dbraw/zinc/51/87/93/811518793.db2.gz NXMGTUMWNDGHPA-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CCCCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134499130 813281621 /nfs/dbraw/zinc/28/16/21/813281621.db2.gz XBFDMTMVZHQYOY-OAHLLOKOSA-N 2 2 292.427 2.286 20 30 CEEDLP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969884 813348351 /nfs/dbraw/zinc/34/83/51/813348351.db2.gz OFRHZNHAMYRZHM-QWHCGFSZSA-N 2 2 286.379 2.007 20 30 CEEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169844 813979994 /nfs/dbraw/zinc/97/99/94/813979994.db2.gz ZOPKSDWCKAYNHX-INIZCTEOSA-N 2 2 294.358 2.310 20 30 CEEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169844 813980002 /nfs/dbraw/zinc/98/00/02/813980002.db2.gz ZOPKSDWCKAYNHX-INIZCTEOSA-N 2 2 294.358 2.310 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1[nH+]ccn1C ZINC001171204222 814149109 /nfs/dbraw/zinc/14/91/09/814149109.db2.gz UPBZQUIDGYHPEW-CYBMUJFWSA-N 2 2 268.364 2.055 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336560056 365645819 /nfs/dbraw/zinc/64/58/19/365645819.db2.gz LUTIUIOXSOVTRQ-GOEBONIOSA-N 2 2 255.365 2.229 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336560056 365645822 /nfs/dbraw/zinc/64/58/22/365645822.db2.gz LUTIUIOXSOVTRQ-GOEBONIOSA-N 2 2 255.365 2.229 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000091633586 539227610 /nfs/dbraw/zinc/22/76/10/539227610.db2.gz SGPOQGYBRSTXJQ-GDBMZVCRSA-N 2 2 293.455 2.145 20 30 CEEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000091633586 539227611 /nfs/dbraw/zinc/22/76/11/539227611.db2.gz SGPOQGYBRSTXJQ-GDBMZVCRSA-N 2 2 293.455 2.145 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000042616564 362106374 /nfs/dbraw/zinc/10/63/74/362106374.db2.gz MPWSPEXAMRJKEQ-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000042616564 362106379 /nfs/dbraw/zinc/10/63/79/362106379.db2.gz MPWSPEXAMRJKEQ-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000601968580 346946246 /nfs/dbraw/zinc/94/62/46/346946246.db2.gz OUQLSAGAKBQSLG-GDBMZVCRSA-N 2 2 257.381 2.258 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000601968580 346946248 /nfs/dbraw/zinc/94/62/48/346946248.db2.gz OUQLSAGAKBQSLG-GDBMZVCRSA-N 2 2 257.381 2.258 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000602010022 346957533 /nfs/dbraw/zinc/95/75/33/346957533.db2.gz AAQNXLIYXMJBQA-YPMHNXCESA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@H+]1C ZINC000602010022 346957536 /nfs/dbraw/zinc/95/75/36/346957536.db2.gz AAQNXLIYXMJBQA-YPMHNXCESA-N 2 2 261.344 2.270 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072200 344176471 /nfs/dbraw/zinc/17/64/71/344176471.db2.gz RDGBEZPQWFZDTP-NSHDSACASA-N 2 2 256.309 2.254 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092072200 344176474 /nfs/dbraw/zinc/17/64/74/344176474.db2.gz RDGBEZPQWFZDTP-NSHDSACASA-N 2 2 256.309 2.254 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126550 344380069 /nfs/dbraw/zinc/38/00/69/344380069.db2.gz WKQVZCAYLAWODX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126550 344380071 /nfs/dbraw/zinc/38/00/71/344380071.db2.gz WKQVZCAYLAWODX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126550 344380073 /nfs/dbraw/zinc/38/00/73/344380073.db2.gz WKQVZCAYLAWODX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135126550 344380074 /nfs/dbraw/zinc/38/00/74/344380074.db2.gz WKQVZCAYLAWODX-OAHLLOKOSA-N 2 2 287.407 2.340 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602480858 347053017 /nfs/dbraw/zinc/05/30/17/347053017.db2.gz CWFRFFOONXBSNT-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602480858 347053020 /nfs/dbraw/zinc/05/30/20/347053020.db2.gz CWFRFFOONXBSNT-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602480858 347053022 /nfs/dbraw/zinc/05/30/22/347053022.db2.gz CWFRFFOONXBSNT-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602480858 347053024 /nfs/dbraw/zinc/05/30/24/347053024.db2.gz CWFRFFOONXBSNT-CQSZACIVSA-N 2 2 272.396 2.117 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000592072771 345318980 /nfs/dbraw/zinc/31/89/80/345318980.db2.gz XTBLECCMIDPNJY-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000592290880 345341984 /nfs/dbraw/zinc/34/19/84/345341984.db2.gz IGBVDSHQICENSG-UHFFFAOYSA-N 2 2 270.380 2.303 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000592290880 345341986 /nfs/dbraw/zinc/34/19/86/345341986.db2.gz IGBVDSHQICENSG-UHFFFAOYSA-N 2 2 270.380 2.303 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CSC3)CC2)c1 ZINC000593701974 345524878 /nfs/dbraw/zinc/52/48/78/345524878.db2.gz JBXGOHIZPVDYNC-UHFFFAOYSA-N 2 2 287.432 2.228 20 30 CEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593988187 345561159 /nfs/dbraw/zinc/56/11/59/345561159.db2.gz HZOIYOZOJDLRAX-CQSZACIVSA-N 2 2 279.428 2.111 20 30 CEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593988187 345561163 /nfs/dbraw/zinc/56/11/63/345561163.db2.gz HZOIYOZOJDLRAX-CQSZACIVSA-N 2 2 279.428 2.111 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(C#N)cc1 ZINC000595402799 345774524 /nfs/dbraw/zinc/77/45/24/345774524.db2.gz DZLAMJNPKYBKDL-UHFFFAOYSA-N 2 2 268.364 2.319 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(C#N)cc1 ZINC000595402799 345774526 /nfs/dbraw/zinc/77/45/26/345774526.db2.gz DZLAMJNPKYBKDL-UHFFFAOYSA-N 2 2 268.364 2.319 20 30 CEEDLP C[C@@]1(C#N)CC[N@H+](C/C=C\C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595841844 345895262 /nfs/dbraw/zinc/89/52/62/345895262.db2.gz AGVMEZNTZTZVAB-SSGMOAHOSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[N@@H+](C/C=C\C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595841844 345895265 /nfs/dbraw/zinc/89/52/65/345895265.db2.gz AGVMEZNTZTZVAB-SSGMOAHOSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](C/C=C\C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841844 345895268 /nfs/dbraw/zinc/89/52/68/345895268.db2.gz AGVMEZNTZTZVAB-SSGMOAHOSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](C/C=C\C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841844 345895271 /nfs/dbraw/zinc/89/52/71/345895271.db2.gz AGVMEZNTZTZVAB-SSGMOAHOSA-N 2 2 272.396 2.014 20 30 CEEDLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1F ZINC000596654414 346073003 /nfs/dbraw/zinc/07/30/03/346073003.db2.gz OLFMMFKXJZERRO-CKQAKLJMSA-N 2 2 259.328 2.100 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000602594017 347092369 /nfs/dbraw/zinc/09/23/69/347092369.db2.gz OIASMVHRDWOVOI-LSDHHAIUSA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000602594017 347092372 /nfs/dbraw/zinc/09/23/72/347092372.db2.gz OIASMVHRDWOVOI-LSDHHAIUSA-N 2 2 279.428 2.017 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768308 346686585 /nfs/dbraw/zinc/68/65/85/346686585.db2.gz HMIWTWKHCKLLQR-SWLSCSKDSA-N 2 2 259.353 2.115 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768308 346686588 /nfs/dbraw/zinc/68/65/88/346686588.db2.gz HMIWTWKHCKLLQR-SWLSCSKDSA-N 2 2 259.353 2.115 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000602629359 347111519 /nfs/dbraw/zinc/11/15/19/347111519.db2.gz NIIDYRSFTSTFLD-CQSZACIVSA-N 2 2 279.428 2.159 20 30 CEEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602699194 347155245 /nfs/dbraw/zinc/15/52/45/347155245.db2.gz KLPGSGOAMMSICI-UHFFFAOYSA-N 2 2 260.385 2.021 20 30 CEEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602699194 347155246 /nfs/dbraw/zinc/15/52/46/347155246.db2.gz KLPGSGOAMMSICI-UHFFFAOYSA-N 2 2 260.385 2.021 20 30 CEEDLP C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000602794341 347200950 /nfs/dbraw/zinc/20/09/50/347200950.db2.gz ACQSENQYVWUSAW-UONOGXRCSA-N 2 2 258.369 2.460 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889838 347239739 /nfs/dbraw/zinc/23/97/39/347239739.db2.gz DYQCONBQWKSSCG-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889838 347239742 /nfs/dbraw/zinc/23/97/42/347239742.db2.gz DYQCONBQWKSSCG-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000610995027 347730302 /nfs/dbraw/zinc/73/03/02/347730302.db2.gz VKYQAHSIUHGKSW-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000610995027 347730306 /nfs/dbraw/zinc/73/03/06/347730306.db2.gz VKYQAHSIUHGKSW-CYBMUJFWSA-N 2 2 267.336 2.056 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628212126 351007169 /nfs/dbraw/zinc/00/71/69/351007169.db2.gz LDALHVUCKYWEOQ-UHFFFAOYSA-N 2 2 261.369 2.292 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857201 363008372 /nfs/dbraw/zinc/00/83/72/363008372.db2.gz DYQGMRPMFHWLMB-GOSISDBHSA-N 2 2 299.418 2.102 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857201 363008377 /nfs/dbraw/zinc/00/83/77/363008377.db2.gz DYQGMRPMFHWLMB-GOSISDBHSA-N 2 2 299.418 2.102 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629394823 351349660 /nfs/dbraw/zinc/34/96/60/351349660.db2.gz MJBZSXPIUJSBOF-ZFWWWQNUSA-N 2 2 260.381 2.482 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000177915587 189079313 /nfs/dbraw/zinc/07/93/13/189079313.db2.gz UEKHOOPMDNNYNP-CYBMUJFWSA-N 2 2 276.428 2.420 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000152930645 366721475 /nfs/dbraw/zinc/72/14/75/366721475.db2.gz OHPXFLOJJWJMRM-UHFFFAOYSA-N 3 2 279.472 2.491 20 30 CEEDLP C[NH+]1CCN(CC/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000019362551 361528608 /nfs/dbraw/zinc/52/86/08/361528608.db2.gz PDEZRUQPVIBMOT-XMHGGMMESA-N 2 2 297.402 2.212 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000120172074 365384529 /nfs/dbraw/zinc/38/45/29/365384529.db2.gz WWFBRXLKPWPZOQ-DZGCQCFKSA-N 2 2 285.391 2.152 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000120172074 365384533 /nfs/dbraw/zinc/38/45/33/365384533.db2.gz WWFBRXLKPWPZOQ-DZGCQCFKSA-N 2 2 285.391 2.152 20 30 CEEDLP CC#CCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000180624587 368389538 /nfs/dbraw/zinc/38/95/38/368389538.db2.gz MEDMGQSWQCHCPU-UHFFFAOYSA-N 2 2 285.391 2.333 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)[N@H+](C)C1CC1 ZINC000359892687 371492088 /nfs/dbraw/zinc/49/20/88/371492088.db2.gz ALTIWGMINPWWBW-NHMWIVBRSA-N 2 2 291.439 2.299 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000359892687 371492092 /nfs/dbraw/zinc/49/20/92/371492092.db2.gz ALTIWGMINPWWBW-NHMWIVBRSA-N 2 2 291.439 2.299 20 30 CEEDLP C=C(C)CNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264062339 371959351 /nfs/dbraw/zinc/95/93/51/371959351.db2.gz DFBXRFHDEYMGOU-UHFFFAOYSA-N 2 2 285.395 2.215 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000641769420 372712184 /nfs/dbraw/zinc/71/21/84/372712184.db2.gz VKVPDXNRLMYTAS-CGTJXYLNSA-N 2 2 286.419 2.186 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000641769420 372712191 /nfs/dbraw/zinc/71/21/91/372712191.db2.gz VKVPDXNRLMYTAS-CGTJXYLNSA-N 2 2 286.419 2.186 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000368427672 373240013 /nfs/dbraw/zinc/24/00/13/373240013.db2.gz ACYPQNPHOXKQOC-RDJZCZTQSA-N 2 2 274.408 2.442 20 30 CEEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000368427672 373240022 /nfs/dbraw/zinc/24/00/22/373240022.db2.gz ACYPQNPHOXKQOC-RDJZCZTQSA-N 2 2 274.408 2.442 20 30 CEEDLP C=C(C)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000274804258 374054992 /nfs/dbraw/zinc/05/49/92/374054992.db2.gz SDKQEVKDNDXCCK-UHFFFAOYSA-N 2 2 261.369 2.178 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247313 374453131 /nfs/dbraw/zinc/45/31/31/374453131.db2.gz PZYOTVLBFDMLTI-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247313 374453137 /nfs/dbraw/zinc/45/31/37/374453137.db2.gz PZYOTVLBFDMLTI-INIZCTEOSA-N 2 2 287.407 2.483 20 30 CEEDLP C#CCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515399 374661525 /nfs/dbraw/zinc/66/15/25/374661525.db2.gz RPZHZAAJYQFBDQ-IUODEOHRSA-N 2 2 277.437 2.275 20 30 CEEDLP C#CCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515399 374661529 /nfs/dbraw/zinc/66/15/29/374661529.db2.gz RPZHZAAJYQFBDQ-IUODEOHRSA-N 2 2 277.437 2.275 20 30 CEEDLP C#CC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000279402831 374863552 /nfs/dbraw/zinc/86/35/52/374863552.db2.gz ZSEFEWZCOQIEBO-UHFFFAOYSA-N 2 2 254.337 2.111 20 30 CEEDLP C#CC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000279402831 374863555 /nfs/dbraw/zinc/86/35/55/374863555.db2.gz ZSEFEWZCOQIEBO-UHFFFAOYSA-N 2 2 254.337 2.111 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1C#N ZINC000293520969 377606912 /nfs/dbraw/zinc/60/69/12/377606912.db2.gz BBMZOOBQPMATEO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1C#N ZINC000293520969 377606917 /nfs/dbraw/zinc/60/69/17/377606917.db2.gz BBMZOOBQPMATEO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1C#N ZINC000293520969 377606922 /nfs/dbraw/zinc/60/69/22/377606922.db2.gz BBMZOOBQPMATEO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1C#N ZINC000293520969 377606926 /nfs/dbraw/zinc/60/69/26/377606926.db2.gz BBMZOOBQPMATEO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000435741923 377811030 /nfs/dbraw/zinc/81/10/30/377811030.db2.gz ROOBFMBCKUXUJJ-CZUORRHYSA-N 2 2 271.364 2.405 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000294859712 378023319 /nfs/dbraw/zinc/02/33/19/378023319.db2.gz BWUYTWZZHOLDJO-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000294859712 378023323 /nfs/dbraw/zinc/02/33/23/378023323.db2.gz BWUYTWZZHOLDJO-GFCCVEGCSA-N 2 2 265.788 2.341 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355040 /nfs/dbraw/zinc/35/50/40/380355040.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 2 261.394 2.146 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355044 /nfs/dbraw/zinc/35/50/44/380355044.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355050 /nfs/dbraw/zinc/35/50/50/380355050.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355053 /nfs/dbraw/zinc/35/50/53/380355053.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 2 261.394 2.146 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000281826640 195398125 /nfs/dbraw/zinc/39/81/25/195398125.db2.gz XIHJKJBTXAPPKY-SWLSCSKDSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000281826640 195398128 /nfs/dbraw/zinc/39/81/28/195398128.db2.gz XIHJKJBTXAPPKY-SWLSCSKDSA-N 2 2 285.391 2.282 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413127107 394488601 /nfs/dbraw/zinc/48/86/01/394488601.db2.gz LVSHVELDZGVLGK-UHFFFAOYSA-N 2 2 273.384 2.113 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413127107 394488604 /nfs/dbraw/zinc/48/86/04/394488604.db2.gz LVSHVELDZGVLGK-UHFFFAOYSA-N 2 2 273.384 2.113 20 30 CEEDLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000104152598 394717617 /nfs/dbraw/zinc/71/76/17/394717617.db2.gz DBCDKBBGVJSGJF-CQSZACIVSA-N 2 2 279.432 2.392 20 30 CEEDLP CCCCNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000104156007 394718514 /nfs/dbraw/zinc/71/85/14/394718514.db2.gz IPDKRABAIWCVKS-UHFFFAOYSA-N 2 2 287.411 2.439 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281822946 394858096 /nfs/dbraw/zinc/85/80/96/394858096.db2.gz XAOULFKKBOBVTJ-UHFFFAOYSA-N 2 2 285.391 2.307 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000152988052 394999741 /nfs/dbraw/zinc/99/97/41/394999741.db2.gz FQXMQNFDHVFRFH-ZDUSSCGKSA-N 2 2 260.385 2.168 20 30 CEEDLP C[C@H]1CC[N@H+](CCCSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136083868 394969288 /nfs/dbraw/zinc/96/92/88/394969288.db2.gz TXTCJIAOXDORRU-KBPBESRZSA-N 2 2 278.425 2.413 20 30 CEEDLP C[C@H]1CC[N@@H+](CCCSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136083868 394969293 /nfs/dbraw/zinc/96/92/93/394969293.db2.gz TXTCJIAOXDORRU-KBPBESRZSA-N 2 2 278.425 2.413 20 30 CEEDLP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000425226800 395053559 /nfs/dbraw/zinc/05/35/59/395053559.db2.gz IMMAMQGLDWOYPN-LBPRGKRZSA-N 2 2 260.385 2.072 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000373187140 395055992 /nfs/dbraw/zinc/05/59/92/395055992.db2.gz KHWHAHZKVOFKFW-QZWWFDLISA-N 2 2 291.439 2.159 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000294865265 395279672 /nfs/dbraw/zinc/27/96/72/395279672.db2.gz CGSCXEARKYUQBV-NSHDSACASA-N 2 2 282.334 2.276 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000294865265 395279677 /nfs/dbraw/zinc/27/96/77/395279677.db2.gz CGSCXEARKYUQBV-NSHDSACASA-N 2 2 282.334 2.276 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442708586 395391164 /nfs/dbraw/zinc/39/11/64/395391164.db2.gz JSXQPONMBWCERU-YJBOKZPZSA-N 2 2 299.418 2.301 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766672 400340928 /nfs/dbraw/zinc/34/09/28/400340928.db2.gz ZPNKEPZFDHCXAR-INIZCTEOSA-N 2 2 257.381 2.402 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766672 400340929 /nfs/dbraw/zinc/34/09/29/400340929.db2.gz ZPNKEPZFDHCXAR-INIZCTEOSA-N 2 2 257.381 2.402 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000651818797 401398877 /nfs/dbraw/zinc/39/88/77/401398877.db2.gz FUIAAAQCFZOZAR-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000651818797 401398880 /nfs/dbraw/zinc/39/88/80/401398880.db2.gz FUIAAAQCFZOZAR-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656702513 415825612 /nfs/dbraw/zinc/82/56/12/415825612.db2.gz FEVNOJUJKBSNJS-CQSZACIVSA-N 2 2 273.380 2.180 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313301215 260280559 /nfs/dbraw/zinc/28/05/59/260280559.db2.gz OYWBRMGEKOQMLQ-UHFFFAOYSA-N 2 2 271.364 2.317 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000442713827 264621613 /nfs/dbraw/zinc/62/16/13/264621613.db2.gz XHNUYTLQGWOATE-STQMWFEESA-N 2 2 254.337 2.159 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425237637 267059968 /nfs/dbraw/zinc/05/99/68/267059968.db2.gz SEGWQZCNTLLTKP-AWEZNQCLSA-N 2 2 272.396 2.430 20 30 CEEDLP C#C[C@@H](C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368040851 267140546 /nfs/dbraw/zinc/14/05/46/267140546.db2.gz TXKUOYPXUGCIKM-LLVKDONJSA-N 2 2 263.410 2.021 20 30 CEEDLP C#C[C@@H](C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368040851 267140549 /nfs/dbraw/zinc/14/05/49/267140549.db2.gz TXKUOYPXUGCIKM-LLVKDONJSA-N 2 2 263.410 2.021 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336560055 277064718 /nfs/dbraw/zinc/06/47/18/277064718.db2.gz LUTIUIOXSOVTRQ-GDBMZVCRSA-N 2 2 255.365 2.229 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336560055 277064719 /nfs/dbraw/zinc/06/47/19/277064719.db2.gz LUTIUIOXSOVTRQ-GDBMZVCRSA-N 2 2 255.365 2.229 20 30 CEEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080583 /nfs/dbraw/zinc/08/05/83/314080583.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080584 /nfs/dbraw/zinc/08/05/84/314080584.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080586 /nfs/dbraw/zinc/08/05/86/314080586.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000571266196 314080587 /nfs/dbraw/zinc/08/05/87/314080587.db2.gz GGIMRXUEIHQYPY-YOEHRIQHSA-N 2 2 289.423 2.254 20 30 CEEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCC1 ZINC000262170190 328146233 /nfs/dbraw/zinc/14/62/33/328146233.db2.gz VBPNCEUJFFDHRP-AWEZNQCLSA-N 2 2 290.411 2.088 20 30 CEEDLP C#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000378000634 329036665 /nfs/dbraw/zinc/03/66/65/329036665.db2.gz JQFMCLRZDRGNKK-WBVHZDCISA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000378000634 329036667 /nfs/dbraw/zinc/03/66/67/329036667.db2.gz JQFMCLRZDRGNKK-WBVHZDCISA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000378000634 329036669 /nfs/dbraw/zinc/03/66/69/329036669.db2.gz JQFMCLRZDRGNKK-WBVHZDCISA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000378000634 329036670 /nfs/dbraw/zinc/03/66/70/329036670.db2.gz JQFMCLRZDRGNKK-WBVHZDCISA-N 2 2 256.393 2.462 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857285 330157946 /nfs/dbraw/zinc/15/79/46/330157946.db2.gz GQMDDUCSNBXIKS-GVDBMIGSSA-N 3 2 277.456 2.147 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423109962 330170711 /nfs/dbraw/zinc/17/07/11/330170711.db2.gz UIYZZLPLFAIDJX-XJKSGUPXSA-N 2 2 260.381 2.482 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](C#N)CCC#N)CCC2 ZINC000576082763 335150268 /nfs/dbraw/zinc/15/02/68/335150268.db2.gz UPNGPNKBILWYKQ-KGLIPLIRSA-N 2 2 271.368 2.102 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000363383737 526622912 /nfs/dbraw/zinc/62/29/12/526622912.db2.gz ACUUFYTXNJKNAB-QZTJIDSGSA-N 2 2 299.418 2.149 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330307536 528985090 /nfs/dbraw/zinc/98/50/90/528985090.db2.gz LVYHQDQSJJSDOV-CQSZACIVSA-N 2 2 290.411 2.275 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCO1 ZINC000926209987 623907738 /nfs/dbraw/zinc/90/77/38/623907738.db2.gz JHNJBTZPNNURRV-IRXDYDNUSA-N 2 2 278.440 2.267 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328023276 627741225 /nfs/dbraw/zinc/74/12/25/627741225.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 2 299.462 2.196 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000328023276 627741228 /nfs/dbraw/zinc/74/12/28/627741228.db2.gz SXOKCJSRHXVGOK-LJQANCHMSA-N 2 2 299.462 2.196 20 30 CEEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902434342 634655472 /nfs/dbraw/zinc/65/54/72/634655472.db2.gz NQFSOHBYCBDTHG-DDUYRFODSA-N 2 2 255.365 2.283 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250854822 628939194 /nfs/dbraw/zinc/93/91/94/628939194.db2.gz FUXFCHVJYBOSDG-CABCVRRESA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250854822 628939195 /nfs/dbraw/zinc/93/91/95/628939195.db2.gz FUXFCHVJYBOSDG-CABCVRRESA-N 2 2 273.355 2.414 20 30 CEEDLP CCO[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+](C)C ZINC000926957408 632384566 /nfs/dbraw/zinc/38/45/66/632384566.db2.gz BFOGQMVTHWNUTE-WBVHZDCISA-N 2 2 287.407 2.102 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817918610 633776708 /nfs/dbraw/zinc/77/67/08/633776708.db2.gz LHYJRUFNNUSNDN-HOTGVXAUSA-N 2 2 273.380 2.209 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817918696 633778135 /nfs/dbraw/zinc/77/81/35/633778135.db2.gz MWSUENVFMBLQHJ-XJKSGUPXSA-N 2 2 273.380 2.209 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819023626 634042533 /nfs/dbraw/zinc/04/25/33/634042533.db2.gz ICHGJANVUKBROH-INIZCTEOSA-N 2 2 296.361 2.238 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903177417 634999577 /nfs/dbraw/zinc/99/95/77/634999577.db2.gz MRBNVURGNWLKIF-INIZCTEOSA-N 2 2 257.381 2.077 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903177417 634999581 /nfs/dbraw/zinc/99/95/81/634999581.db2.gz MRBNVURGNWLKIF-INIZCTEOSA-N 2 2 257.381 2.077 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000823617784 635233099 /nfs/dbraw/zinc/23/30/99/635233099.db2.gz MSZLWFUVLBHJAD-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000823617784 635233107 /nfs/dbraw/zinc/23/31/07/635233107.db2.gz MSZLWFUVLBHJAD-YOEHRIQHSA-N 2 2 287.407 2.008 20 30 CEEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000876948486 650501744 /nfs/dbraw/zinc/50/17/44/650501744.db2.gz MYYVVWJPDACQRP-UHFFFAOYSA-N 2 2 272.396 2.306 20 30 CEEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845498204 640987162 /nfs/dbraw/zinc/98/71/62/640987162.db2.gz VZPHWMSQTRBXEM-HUUCEWRRSA-N 2 2 291.395 2.111 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000921484148 641294291 /nfs/dbraw/zinc/29/42/91/641294291.db2.gz FJPDQYGVGOOOGH-UHFFFAOYSA-N 2 2 254.337 2.161 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999678617 642504893 /nfs/dbraw/zinc/50/48/93/642504893.db2.gz AGFKRWDACNKOAG-AWEZNQCLSA-N 2 2 298.390 2.105 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921702539 642548854 /nfs/dbraw/zinc/54/88/54/642548854.db2.gz KMXXUJPYWOOMAI-UHFFFAOYSA-N 2 2 288.439 2.039 20 30 CEEDLP Cc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000863158603 646656362 /nfs/dbraw/zinc/65/63/62/646656362.db2.gz ITPXPMBQLNZUJC-UHFFFAOYSA-N 2 2 296.374 2.095 20 30 CEEDLP CCCCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000863540017 646751155 /nfs/dbraw/zinc/75/11/55/646751155.db2.gz POGQRKRUWZKKDI-HUUCEWRRSA-N 2 2 254.418 2.313 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872073749 649263524 /nfs/dbraw/zinc/26/35/24/649263524.db2.gz RJBIQPRTCHICNT-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872073749 649263527 /nfs/dbraw/zinc/26/35/27/649263527.db2.gz RJBIQPRTCHICNT-LBPRGKRZSA-N 2 2 264.344 2.137 20 30 CEEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CCCO1 ZINC000883164849 652384504 /nfs/dbraw/zinc/38/45/04/652384504.db2.gz PLXHKIPMQQAOSF-KBPBESRZSA-N 2 2 254.418 2.430 20 30 CEEDLP C[N@@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N)sc2C1 ZINC001212391422 808725767 /nfs/dbraw/zinc/72/57/67/808725767.db2.gz ODOMCNMUVJHYOR-UHFFFAOYSA-N 2 2 285.376 2.328 20 30 CEEDLP C[N@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N)sc2C1 ZINC001212391422 808725770 /nfs/dbraw/zinc/72/57/70/808725770.db2.gz ODOMCNMUVJHYOR-UHFFFAOYSA-N 2 2 285.376 2.328 20 30 CEEDLP C=CCCOCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116071154 808756952 /nfs/dbraw/zinc/75/69/52/808756952.db2.gz RWVKKOLUSLGBOO-UHFFFAOYSA-N 2 2 286.335 2.107 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001172115643 815303503 /nfs/dbraw/zinc/30/35/03/815303503.db2.gz UOUNYKNIPIHIMW-ZSBIGDGJSA-N 2 2 276.409 2.120 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncc(C#N)s1)C2 ZINC001172115643 815303509 /nfs/dbraw/zinc/30/35/09/815303509.db2.gz UOUNYKNIPIHIMW-ZSBIGDGJSA-N 2 2 276.409 2.120 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001172309091 815364022 /nfs/dbraw/zinc/36/40/22/815364022.db2.gz QOIGTIQMLHQUOT-ZDUSSCGKSA-N 2 2 268.364 2.055 20 30 CEEDLP C[C@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172487328 815430575 /nfs/dbraw/zinc/43/05/75/815430575.db2.gz ARTMXLJDWFVFPI-CZUORRHYSA-N 2 2 257.381 2.454 20 30 CEEDLP C[C@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001172487328 815430579 /nfs/dbraw/zinc/43/05/79/815430579.db2.gz ARTMXLJDWFVFPI-CZUORRHYSA-N 2 2 257.381 2.454 20 30 CEEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091029 811349034 /nfs/dbraw/zinc/34/90/34/811349034.db2.gz DQCHEHVOCAMHKH-UHFFFAOYSA-N 2 2 298.390 2.285 20 30 CEEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739757 813318858 /nfs/dbraw/zinc/31/88/58/813318858.db2.gz JOAQLWHDUYWNOE-QWHCGFSZSA-N 2 2 298.390 2.073 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136035310 813590753 /nfs/dbraw/zinc/59/07/53/813590753.db2.gz MTDCALQEUQKXES-QWHCGFSZSA-N 2 2 292.427 2.100 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136035311 813590795 /nfs/dbraw/zinc/59/07/95/813590795.db2.gz MTDCALQEUQKXES-STQMWFEESA-N 2 2 292.427 2.100 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198625 815710201 /nfs/dbraw/zinc/71/02/01/815710201.db2.gz NBYKGMQCCBUCKX-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206198625 815710205 /nfs/dbraw/zinc/71/02/05/815710205.db2.gz NBYKGMQCCBUCKX-KBPBESRZSA-N 2 2 281.762 2.473 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206277335 816439114 /nfs/dbraw/zinc/43/91/14/816439114.db2.gz RTJMDYYTGULFPB-AWEZNQCLSA-N 2 2 260.381 2.293 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC001206277335 816439118 /nfs/dbraw/zinc/43/91/18/816439118.db2.gz RTJMDYYTGULFPB-AWEZNQCLSA-N 2 2 260.381 2.293 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176809961 816478271 /nfs/dbraw/zinc/47/82/71/816478271.db2.gz GRMNDVUIQXRIFS-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000126097988 187216979 /nfs/dbraw/zinc/21/69/79/187216979.db2.gz NKSZDQOJXFPAGT-QGZVFWFLSA-N 2 2 287.407 2.054 20 30 CEEDLP C[NH+]=C(NCC(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179225224 344504773 /nfs/dbraw/zinc/50/47/73/344504773.db2.gz VWLONUITCAUEIS-UONOGXRCSA-N 2 2 291.443 2.388 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000531382349 344930966 /nfs/dbraw/zinc/93/09/66/344930966.db2.gz XGDBZVZNQIWYIF-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000531382349 344930972 /nfs/dbraw/zinc/93/09/72/344930972.db2.gz XGDBZVZNQIWYIF-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000531382349 344930974 /nfs/dbraw/zinc/93/09/74/344930974.db2.gz XGDBZVZNQIWYIF-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000531382349 344930977 /nfs/dbraw/zinc/93/09/77/344930977.db2.gz XGDBZVZNQIWYIF-HZPDHXFCSA-N 2 2 295.471 2.216 20 30 CEEDLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000586789095 345022477 /nfs/dbraw/zinc/02/24/77/345022477.db2.gz MEHJAZWHZMCHFT-QGZVFWFLSA-N 2 2 298.434 2.211 20 30 CEEDLP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000586789095 345022481 /nfs/dbraw/zinc/02/24/81/345022481.db2.gz MEHJAZWHZMCHFT-QGZVFWFLSA-N 2 2 298.434 2.211 20 30 CEEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000589497013 345084651 /nfs/dbraw/zinc/08/46/51/345084651.db2.gz CWGBKZWNDYLEIB-LBPRGKRZSA-N 2 2 273.365 2.048 20 30 CEEDLP N#Cc1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000589497013 345084653 /nfs/dbraw/zinc/08/46/53/345084653.db2.gz CWGBKZWNDYLEIB-LBPRGKRZSA-N 2 2 273.365 2.048 20 30 CEEDLP COC[C@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]1 ZINC000591579389 345265824 /nfs/dbraw/zinc/26/58/24/345265824.db2.gz VLSUFYRVZBAWPI-QZTJIDSGSA-N 2 2 299.418 2.294 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000591577245 345266231 /nfs/dbraw/zinc/26/62/31/345266231.db2.gz GCCGQFAELGTTCI-GOEBONIOSA-N 2 2 255.365 2.277 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633213 345833461 /nfs/dbraw/zinc/83/34/61/345833461.db2.gz OXTGVVDHGMLOOW-OAHLLOKOSA-N 2 2 257.381 2.477 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633213 345833463 /nfs/dbraw/zinc/83/34/63/345833463.db2.gz OXTGVVDHGMLOOW-OAHLLOKOSA-N 2 2 257.381 2.477 20 30 CEEDLP C[C@@]1(C#N)CC[N@H+](CCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595839700 345895119 /nfs/dbraw/zinc/89/51/19/345895119.db2.gz IGSWASVALQXPFM-IYBDPMFKSA-N 2 2 274.412 2.238 20 30 CEEDLP C[C@@]1(C#N)CC[N@@H+](CCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595839700 345895120 /nfs/dbraw/zinc/89/51/20/345895120.db2.gz IGSWASVALQXPFM-IYBDPMFKSA-N 2 2 274.412 2.238 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](CCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839700 345895121 /nfs/dbraw/zinc/89/51/21/345895121.db2.gz IGSWASVALQXPFM-IYBDPMFKSA-N 2 2 274.412 2.238 20 30 CEEDLP C[C@@]1(C#N)CC[NH+](CCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839700 345895122 /nfs/dbraw/zinc/89/51/22/345895122.db2.gz IGSWASVALQXPFM-IYBDPMFKSA-N 2 2 274.412 2.238 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595905925 345910823 /nfs/dbraw/zinc/91/08/23/345910823.db2.gz YEUNWHPLRWOXHB-KRWDZBQOSA-N 2 2 287.407 2.101 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595905925 345910826 /nfs/dbraw/zinc/91/08/26/345910826.db2.gz YEUNWHPLRWOXHB-KRWDZBQOSA-N 2 2 287.407 2.101 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129498120 365865701 /nfs/dbraw/zinc/86/57/01/365865701.db2.gz GNXPJYLBNIYRPQ-DOTOQJQBSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129498120 365865706 /nfs/dbraw/zinc/86/57/06/365865706.db2.gz GNXPJYLBNIYRPQ-DOTOQJQBSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602711798 347165096 /nfs/dbraw/zinc/16/50/96/347165096.db2.gz QZSPLNTUWMFUAL-CVEARBPZSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602711798 347165097 /nfs/dbraw/zinc/16/50/97/347165097.db2.gz QZSPLNTUWMFUAL-CVEARBPZSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889835 347239442 /nfs/dbraw/zinc/23/94/42/347239442.db2.gz DYQCONBQWKSSCG-PBHICJAKSA-N 2 2 287.407 2.008 20 30 CEEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000610995106 347730234 /nfs/dbraw/zinc/73/02/34/347730234.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995106 347730237 /nfs/dbraw/zinc/73/02/37/347730237.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000610995106 347730241 /nfs/dbraw/zinc/73/02/41/347730241.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 2 2 296.418 2.402 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000177909045 189078150 /nfs/dbraw/zinc/07/81/50/189078150.db2.gz DQCQDELUUMOMLH-SFHVURJKSA-N 2 2 288.435 2.484 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000152955167 366722659 /nfs/dbraw/zinc/72/26/59/366722659.db2.gz CDWKJBRRXZEQQZ-UHFFFAOYSA-N 3 2 291.483 2.491 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154529611 366777834 /nfs/dbraw/zinc/77/78/34/366777834.db2.gz HBRWALDSYPHROE-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154529611 366777835 /nfs/dbraw/zinc/77/78/35/366777835.db2.gz HBRWALDSYPHROE-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154529611 366777837 /nfs/dbraw/zinc/77/78/37/366777837.db2.gz HBRWALDSYPHROE-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154529611 366777840 /nfs/dbraw/zinc/77/78/40/366777840.db2.gz HBRWALDSYPHROE-MRXNPFEDSA-N 2 2 274.383 2.451 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093742122 364222858 /nfs/dbraw/zinc/22/28/58/364222858.db2.gz CTOYNZGDKHAUCG-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)o2)C1 ZINC000093742122 364222859 /nfs/dbraw/zinc/22/28/59/364222859.db2.gz CTOYNZGDKHAUCG-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093742122 364222862 /nfs/dbraw/zinc/22/28/62/364222862.db2.gz CTOYNZGDKHAUCG-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093742122 364222863 /nfs/dbraw/zinc/22/28/63/364222863.db2.gz CTOYNZGDKHAUCG-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674244 212394698 /nfs/dbraw/zinc/39/46/98/212394698.db2.gz YUWTZFVHCRKWSS-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674244 212394699 /nfs/dbraw/zinc/39/46/99/212394699.db2.gz YUWTZFVHCRKWSS-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C#N)cs1 ZINC000335674244 212394702 /nfs/dbraw/zinc/39/47/02/212394702.db2.gz YUWTZFVHCRKWSS-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000335674244 212394704 /nfs/dbraw/zinc/39/47/04/212394704.db2.gz YUWTZFVHCRKWSS-FZMZJTMJSA-N 2 2 263.410 2.392 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000343273475 367737630 /nfs/dbraw/zinc/73/76/30/367737630.db2.gz XNBCYUUWLIGWPT-GVDBMIGSSA-N 2 2 279.472 2.225 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000343273475 367737636 /nfs/dbraw/zinc/73/76/36/367737636.db2.gz XNBCYUUWLIGWPT-GVDBMIGSSA-N 2 2 279.472 2.225 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000174281320 368006058 /nfs/dbraw/zinc/00/60/58/368006058.db2.gz LIGVXZSFMVHOTN-UHFFFAOYSA-N 2 2 259.353 2.115 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202751 370949520 /nfs/dbraw/zinc/94/95/20/370949520.db2.gz NAAUCACVQRJVIY-SUMWQHHRSA-N 2 2 285.391 2.009 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202751 370949524 /nfs/dbraw/zinc/94/95/24/370949524.db2.gz NAAUCACVQRJVIY-SUMWQHHRSA-N 2 2 285.391 2.009 20 30 CEEDLP C[NH+](C)CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000348340862 369010597 /nfs/dbraw/zinc/01/05/97/369010597.db2.gz YFHMUUTUPZFUOX-MRXNPFEDSA-N 2 2 257.381 2.477 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C#N ZINC000191304612 369700435 /nfs/dbraw/zinc/70/04/35/369700435.db2.gz VIUGSEVPWHFUBA-AWEZNQCLSA-N 2 2 295.390 2.226 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1C#N ZINC000191304612 369700439 /nfs/dbraw/zinc/70/04/39/369700439.db2.gz VIUGSEVPWHFUBA-AWEZNQCLSA-N 2 2 295.390 2.226 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192025388 369765472 /nfs/dbraw/zinc/76/54/72/369765472.db2.gz BSOOAADQSHUKHE-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192025388 369765475 /nfs/dbraw/zinc/76/54/75/369765475.db2.gz BSOOAADQSHUKHE-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246829376 371016967 /nfs/dbraw/zinc/01/69/67/371016967.db2.gz JMVDRLXKXZQQIC-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246829376 371016971 /nfs/dbraw/zinc/01/69/71/371016971.db2.gz JMVDRLXKXZQQIC-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246829376 371016974 /nfs/dbraw/zinc/01/69/74/371016974.db2.gz JMVDRLXKXZQQIC-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246829376 371016977 /nfs/dbraw/zinc/01/69/77/371016977.db2.gz JMVDRLXKXZQQIC-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248488397 371201533 /nfs/dbraw/zinc/20/15/33/371201533.db2.gz GTKPGHAWOMRMND-USXIJHARSA-N 2 2 274.408 2.349 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000248488397 371201538 /nfs/dbraw/zinc/20/15/38/371201538.db2.gz GTKPGHAWOMRMND-USXIJHARSA-N 2 2 274.408 2.349 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264094989 371969290 /nfs/dbraw/zinc/96/92/90/371969290.db2.gz LUQOMHMBHVXGQR-FZMZJTMJSA-N 2 2 280.391 2.131 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494030 372873887 /nfs/dbraw/zinc/87/38/87/372873887.db2.gz PWLQYHOYKYRBDR-KURKYZTESA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494030 372873893 /nfs/dbraw/zinc/87/38/93/372873893.db2.gz PWLQYHOYKYRBDR-KURKYZTESA-N 2 2 299.418 2.462 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272603592 373575018 /nfs/dbraw/zinc/57/50/18/373575018.db2.gz JIZUDKFLUNLRKJ-AEFFLSMTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272603592 373575022 /nfs/dbraw/zinc/57/50/22/373575022.db2.gz JIZUDKFLUNLRKJ-AEFFLSMTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272603592 373575032 /nfs/dbraw/zinc/57/50/32/373575032.db2.gz JIZUDKFLUNLRKJ-AEFFLSMTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272603592 373575039 /nfs/dbraw/zinc/57/50/39/373575039.db2.gz JIZUDKFLUNLRKJ-AEFFLSMTSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272706399 373624092 /nfs/dbraw/zinc/62/40/92/373624092.db2.gz ZUPFEZIWVDCORU-NVXWUHKLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272706399 373624096 /nfs/dbraw/zinc/62/40/96/373624096.db2.gz ZUPFEZIWVDCORU-NVXWUHKLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272706399 373624099 /nfs/dbraw/zinc/62/40/99/373624099.db2.gz ZUPFEZIWVDCORU-NVXWUHKLSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272706399 373624104 /nfs/dbraw/zinc/62/41/04/373624104.db2.gz ZUPFEZIWVDCORU-NVXWUHKLSA-N 2 2 284.403 2.225 20 30 CEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700445 /nfs/dbraw/zinc/70/04/45/377700445.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 2 259.353 2.069 20 30 CEEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700452 /nfs/dbraw/zinc/70/04/52/377700452.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 2 259.353 2.069 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700459 /nfs/dbraw/zinc/70/04/59/377700459.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 2 259.353 2.069 20 30 CEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700464 /nfs/dbraw/zinc/70/04/64/377700464.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 2 259.353 2.069 20 30 CEEDLP C=CC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435721624 377809413 /nfs/dbraw/zinc/80/94/13/377809413.db2.gz DSLXAJSUBSMSKX-LBPRGKRZSA-N 2 2 251.399 2.049 20 30 CEEDLP C=CC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435721624 377809419 /nfs/dbraw/zinc/80/94/19/377809419.db2.gz DSLXAJSUBSMSKX-LBPRGKRZSA-N 2 2 251.399 2.049 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857832 378023817 /nfs/dbraw/zinc/02/38/17/378023817.db2.gz BTFMSKRUTLNLRF-LBPRGKRZSA-N 2 2 295.814 2.349 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857832 378023823 /nfs/dbraw/zinc/02/38/23/378023823.db2.gz BTFMSKRUTLNLRF-LBPRGKRZSA-N 2 2 295.814 2.349 20 30 CEEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C#N ZINC000281139027 195119923 /nfs/dbraw/zinc/11/99/23/195119923.db2.gz DQIXWBCNQUUPSN-UHFFFAOYSA-N 2 2 257.381 2.476 20 30 CEEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C#N ZINC000281139027 195119926 /nfs/dbraw/zinc/11/99/26/195119926.db2.gz DQIXWBCNQUUPSN-UHFFFAOYSA-N 2 2 257.381 2.476 20 30 CEEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329574641 394573933 /nfs/dbraw/zinc/57/39/33/394573933.db2.gz NVPRIENCBXFVLP-DOMZBBRYSA-N 2 2 288.395 2.098 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266891553 394670601 /nfs/dbraw/zinc/67/06/01/394670601.db2.gz CZEZXOLIDBWDIM-AWEZNQCLSA-N 2 2 295.390 2.175 20 30 CEEDLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000358168590 394710803 /nfs/dbraw/zinc/71/08/03/394710803.db2.gz OGKXRXRYFQCVGQ-UHFFFAOYSA-N 2 2 255.365 2.300 20 30 CEEDLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000358168590 394710807 /nfs/dbraw/zinc/71/08/07/394710807.db2.gz OGKXRXRYFQCVGQ-UHFFFAOYSA-N 2 2 255.365 2.300 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nccs2)cc1 ZINC000269507129 394717819 /nfs/dbraw/zinc/71/78/19/394717819.db2.gz ZLRQVJVMGDIJAV-UHFFFAOYSA-N 2 2 290.392 2.042 20 30 CEEDLP CCCCCCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000104159461 394718672 /nfs/dbraw/zinc/71/86/72/394718672.db2.gz PHFHQECRHUNEPL-UHFFFAOYSA-N 2 2 287.411 2.361 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000136078584 394969742 /nfs/dbraw/zinc/96/97/42/394969742.db2.gz VECOXKBALINCLL-UHFFFAOYSA-N 2 2 251.399 2.273 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccccc1 ZINC000373819181 395066000 /nfs/dbraw/zinc/06/60/00/395066000.db2.gz UYEIJJBZDQLVFV-QRVBRYPASA-N 2 2 298.430 2.222 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccccc1 ZINC000373819181 395066004 /nfs/dbraw/zinc/06/60/04/395066004.db2.gz UYEIJJBZDQLVFV-QRVBRYPASA-N 2 2 298.430 2.222 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346823130 395108236 /nfs/dbraw/zinc/10/82/36/395108236.db2.gz CCPKESHOVODFRW-RDJZCZTQSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346823130 395108240 /nfs/dbraw/zinc/10/82/40/395108240.db2.gz CCPKESHOVODFRW-RDJZCZTQSA-N 2 2 290.407 2.190 20 30 CEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464064 153174855 /nfs/dbraw/zinc/17/48/55/153174855.db2.gz NDYCOLYIWMEHBN-CQSZACIVSA-N 2 2 297.406 2.085 20 30 CEEDLP CCN(CC)C(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264110550 262873169 /nfs/dbraw/zinc/87/31/69/262873169.db2.gz QRJMMZUUIACONJ-UHFFFAOYSA-N 2 2 271.368 2.029 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000415070561 263259395 /nfs/dbraw/zinc/25/93/95/263259395.db2.gz QZABDHJJJVWIGT-HNNXBMFYSA-N 2 2 290.407 2.492 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367701466 267111306 /nfs/dbraw/zinc/11/13/06/267111306.db2.gz KYWZRDCQTMGEAG-INIZCTEOSA-N 2 2 295.386 2.422 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367701466 267111308 /nfs/dbraw/zinc/11/13/08/267111308.db2.gz KYWZRDCQTMGEAG-INIZCTEOSA-N 2 2 295.386 2.422 20 30 CEEDLP C=C(Cl)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368876519 267210604 /nfs/dbraw/zinc/21/06/04/267210604.db2.gz QMOQLIQFDBBGAK-UHFFFAOYSA-N 2 2 272.820 2.314 20 30 CEEDLP C=C(Cl)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368876519 267210607 /nfs/dbraw/zinc/21/06/07/267210607.db2.gz QMOQLIQFDBBGAK-UHFFFAOYSA-N 2 2 272.820 2.314 20 30 CEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000344289593 274209738 /nfs/dbraw/zinc/20/97/38/274209738.db2.gz LGJHHDSELPSOQM-GJZGRUSLSA-N 2 2 287.407 2.320 20 30 CEEDLP COc1ccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000262024069 328143810 /nfs/dbraw/zinc/14/38/10/328143810.db2.gz YZAJTDVTUPZSSQ-UHFFFAOYSA-N 2 2 299.378 2.155 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000414861385 328241728 /nfs/dbraw/zinc/24/17/28/328241728.db2.gz FIAZUXKTRROAFY-CQSZACIVSA-N 2 2 276.380 2.102 20 30 CEEDLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454063 329051140 /nfs/dbraw/zinc/05/11/40/329051140.db2.gz PHMFMUGUFMEPEO-HZMVEIRTSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454063 329051142 /nfs/dbraw/zinc/05/11/42/329051142.db2.gz PHMFMUGUFMEPEO-HZMVEIRTSA-N 2 2 291.439 2.300 20 30 CEEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccn1 ZINC000170908842 329072091 /nfs/dbraw/zinc/07/20/91/329072091.db2.gz KTOOCBZVZREGEU-UHFFFAOYSA-N 2 2 292.346 2.194 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000424165757 330309283 /nfs/dbraw/zinc/30/92/83/330309283.db2.gz BDWVLTHUEHITFK-ZFWWWQNUSA-N 2 2 271.364 2.323 20 30 CEEDLP CC[C@H](CC#N)[NH2+]CC(C)C[NH2+][C@H](CC)CC#N ZINC000580566957 335283458 /nfs/dbraw/zinc/28/34/58/335283458.db2.gz KTBVNURIUNZFRO-ZIAGYGMSSA-N 2 2 250.390 2.186 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@H](C)O)C(C)C ZINC000577502879 335360688 /nfs/dbraw/zinc/36/06/88/335360688.db2.gz IASSPXGCHDPYPD-SOUVJXGZSA-N 2 2 254.418 2.044 20 30 CEEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000404696951 533913857 /nfs/dbraw/zinc/91/38/57/533913857.db2.gz WKMNTLWTFSDNNO-NHYWBVRUSA-N 2 2 261.344 2.318 20 30 CEEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969969509 613486699 /nfs/dbraw/zinc/48/66/99/613486699.db2.gz CCGDMHKFTPGYSH-LBPRGKRZSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981222392 613873679 /nfs/dbraw/zinc/87/36/79/613873679.db2.gz AHPYGWCNVALQFZ-KBPBESRZSA-N 2 2 298.390 2.151 20 30 CEEDLP C=CCCCCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000310659732 625794571 /nfs/dbraw/zinc/79/45/71/625794571.db2.gz FOFONEDVOROZQS-GJZGRUSLSA-N 2 2 254.418 2.480 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007337335 627339875 /nfs/dbraw/zinc/33/98/75/627339875.db2.gz LCYAVEKDFMMBOB-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001007337335 627339879 /nfs/dbraw/zinc/33/98/79/627339879.db2.gz LCYAVEKDFMMBOB-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C1CCC(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000925834037 628929938 /nfs/dbraw/zinc/92/99/38/628929938.db2.gz FVTSLRFXVYIUAE-CVEARBPZSA-N 2 2 264.413 2.089 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793312 634835738 /nfs/dbraw/zinc/83/57/38/634835738.db2.gz HEIMBFNOJLQJFQ-KSZLIROESA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000902793312 634835741 /nfs/dbraw/zinc/83/57/41/634835741.db2.gz HEIMBFNOJLQJFQ-KSZLIROESA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902819478 634840974 /nfs/dbraw/zinc/84/09/74/634840974.db2.gz UTKJVGBLPVKJLV-MBNYWOFBSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902819478 634840978 /nfs/dbraw/zinc/84/09/78/634840978.db2.gz UTKJVGBLPVKJLV-MBNYWOFBSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902819479 634841153 /nfs/dbraw/zinc/84/11/53/634841153.db2.gz UTKJVGBLPVKJLV-OBJOEFQTSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902819479 634841156 /nfs/dbraw/zinc/84/11/56/634841156.db2.gz UTKJVGBLPVKJLV-OBJOEFQTSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070305 634965939 /nfs/dbraw/zinc/96/59/39/634965939.db2.gz TWCKZBHPLJSESG-HIFRSBDPSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070305 634965944 /nfs/dbraw/zinc/96/59/44/634965944.db2.gz TWCKZBHPLJSESG-HIFRSBDPSA-N 2 2 272.396 2.336 20 30 CEEDLP Cn1c[nH+]cc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077760 635795274 /nfs/dbraw/zinc/79/52/74/635795274.db2.gz DHJQUZLSDPRARO-BQYQJAHWSA-N 2 2 269.348 2.378 20 30 CEEDLP N#CCCCC[C@@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000848630968 642081740 /nfs/dbraw/zinc/08/17/40/642081740.db2.gz BOPWLFUSKSFCIK-CYBMUJFWSA-N 2 2 296.334 2.468 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000921593276 642249666 /nfs/dbraw/zinc/24/96/66/642249666.db2.gz PFXVXRCFUWIYBI-HNNXBMFYSA-N 2 2 257.381 2.359 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000921593276 642249669 /nfs/dbraw/zinc/24/96/69/642249669.db2.gz PFXVXRCFUWIYBI-HNNXBMFYSA-N 2 2 257.381 2.359 20 30 CEEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744579 650889962 /nfs/dbraw/zinc/88/99/62/650889962.db2.gz VQLUQAOORMBKQP-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744579 650889965 /nfs/dbraw/zinc/88/99/65/650889965.db2.gz VQLUQAOORMBKQP-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744579 650889967 /nfs/dbraw/zinc/88/99/67/650889967.db2.gz VQLUQAOORMBKQP-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744579 650889972 /nfs/dbraw/zinc/88/99/72/650889972.db2.gz VQLUQAOORMBKQP-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP COc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1C#N ZINC000759161007 644990446 /nfs/dbraw/zinc/99/04/46/644990446.db2.gz OHZAUQJYXQCMOU-UHFFFAOYSA-N 2 2 296.374 2.318 20 30 CEEDLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866237755 647687230 /nfs/dbraw/zinc/68/72/30/647687230.db2.gz LJHURYRQMPJRGL-STQMWFEESA-N 2 2 273.380 2.256 20 30 CEEDLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866237755 647687235 /nfs/dbraw/zinc/68/72/35/647687235.db2.gz LJHURYRQMPJRGL-STQMWFEESA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000866249945 647695390 /nfs/dbraw/zinc/69/53/90/647695390.db2.gz REHVBFQYFGCQLY-GFCCVEGCSA-N 2 2 261.369 2.256 20 30 CEEDLP COC(C)(C)CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000786746915 648041616 /nfs/dbraw/zinc/04/16/16/648041616.db2.gz NKHGZYABPBBVDZ-UHFFFAOYSA-N 2 2 293.411 2.200 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791136785 648484517 /nfs/dbraw/zinc/48/45/17/648484517.db2.gz OIXVJCTYPHBMBE-GFCCVEGCSA-N 2 2 261.369 2.088 20 30 CEEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCO1 ZINC000792287992 648635401 /nfs/dbraw/zinc/63/54/01/648635401.db2.gz XZPJJHSTXUHNDG-ROUUACIJSA-N 2 2 295.386 2.451 20 30 CEEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268093078 804418095 /nfs/dbraw/zinc/41/80/95/804418095.db2.gz HGFRYZHYABWMQY-CYBMUJFWSA-N 2 2 292.427 2.090 20 30 CEEDLP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001272701252 808199702 /nfs/dbraw/zinc/19/97/02/808199702.db2.gz UDMPZUVJTIIHSQ-ZDUSSCGKSA-N 2 2 298.390 2.105 20 30 CEEDLP C#CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001118640840 810332826 /nfs/dbraw/zinc/33/28/26/810332826.db2.gz TVHVOEXNZVHNEH-UHFFFAOYSA-N 2 2 266.348 2.113 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499033 812999526 /nfs/dbraw/zinc/99/95/26/812999526.db2.gz MFKTUODXUBUUMP-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499033 812999532 /nfs/dbraw/zinc/99/95/32/812999532.db2.gz MFKTUODXUBUUMP-CQSZACIVSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152632 813999525 /nfs/dbraw/zinc/99/95/25/813999525.db2.gz RGCQOSUYOLZVQB-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152632 813999528 /nfs/dbraw/zinc/99/95/28/813999528.db2.gz RGCQOSUYOLZVQB-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146707046 814311508 /nfs/dbraw/zinc/31/15/08/814311508.db2.gz NFBVLIGGUMSCBY-GJZGRUSLSA-N 2 2 292.427 2.112 20 30 CEEDLP C=CCC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178653729 816776390 /nfs/dbraw/zinc/77/63/90/816776390.db2.gz GECATLKCFREBEF-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP C=CCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178653729 816776396 /nfs/dbraw/zinc/77/63/96/816776396.db2.gz GECATLKCFREBEF-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP COc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)ccc1C#N ZINC000602020908 346962607 /nfs/dbraw/zinc/96/26/07/346962607.db2.gz OVHNLKVRSLYSSI-OAHLLOKOSA-N 2 2 273.380 2.270 20 30 CEEDLP COc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)ccc1C#N ZINC000602020908 346962610 /nfs/dbraw/zinc/96/26/10/346962610.db2.gz OVHNLKVRSLYSSI-OAHLLOKOSA-N 2 2 273.380 2.270 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000602543441 347071048 /nfs/dbraw/zinc/07/10/48/347071048.db2.gz JJLOYUAPYDRNME-KBPBESRZSA-N 2 2 279.428 2.158 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000602543441 347071050 /nfs/dbraw/zinc/07/10/50/347071050.db2.gz JJLOYUAPYDRNME-KBPBESRZSA-N 2 2 279.428 2.158 20 30 CEEDLP CC(C)C[C@H]([NH3+])c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000593944205 345554383 /nfs/dbraw/zinc/55/43/83/345554383.db2.gz UENKBGHFZJGBCN-MNOVXSKESA-N 2 2 265.361 2.199 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000594504397 345639600 /nfs/dbraw/zinc/63/96/00/345639600.db2.gz MJNHHBWEAIEJJA-KBXCAEBGSA-N 2 2 299.418 2.462 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C#N ZINC000600710955 346675737 /nfs/dbraw/zinc/67/57/37/346675737.db2.gz QZVUNZHCIAJMEQ-GDBMZVCRSA-N 2 2 255.365 2.051 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C#N ZINC000600710955 346675739 /nfs/dbraw/zinc/67/57/39/346675739.db2.gz QZVUNZHCIAJMEQ-GDBMZVCRSA-N 2 2 255.365 2.051 20 30 CEEDLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[NH2+]1 ZINC000600712155 346675748 /nfs/dbraw/zinc/67/57/48/346675748.db2.gz XBUCHCPFZYNKCU-XFJVYGCCSA-N 2 2 255.365 2.276 20 30 CEEDLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[NH2+]1 ZINC000600712152 346675983 /nfs/dbraw/zinc/67/59/83/346675983.db2.gz XBUCHCPFZYNKCU-DIOULYMOSA-N 2 2 255.365 2.276 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000619770965 349234439 /nfs/dbraw/zinc/23/44/39/349234439.db2.gz CZSGFOYPDBOBGC-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000619770965 349234444 /nfs/dbraw/zinc/23/44/44/349234444.db2.gz CZSGFOYPDBOBGC-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271318696 191071169 /nfs/dbraw/zinc/07/11/69/191071169.db2.gz STCSVJRYVNDXCI-SOUVJXGZSA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271318696 191071172 /nfs/dbraw/zinc/07/11/72/191071172.db2.gz STCSVJRYVNDXCI-SOUVJXGZSA-N 2 2 263.385 2.093 20 30 CEEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086753 350189297 /nfs/dbraw/zinc/18/92/97/350189297.db2.gz UVRQTVLNBVCRMK-OAGGEKHMSA-N 2 2 293.455 2.051 20 30 CEEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086753 350189300 /nfs/dbraw/zinc/18/93/00/350189300.db2.gz UVRQTVLNBVCRMK-OAGGEKHMSA-N 2 2 293.455 2.051 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCC[NH+](C)C1 ZINC000122825816 187054331 /nfs/dbraw/zinc/05/43/31/187054331.db2.gz FXMLEFHESDJYEI-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCC[NH+](C)C1 ZINC000122825816 187054332 /nfs/dbraw/zinc/05/43/32/187054332.db2.gz FXMLEFHESDJYEI-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000122825816 187054333 /nfs/dbraw/zinc/05/43/33/187054333.db2.gz FXMLEFHESDJYEI-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C[NH+](Cc1ccc(C#N)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000122825816 187054334 /nfs/dbraw/zinc/05/43/34/187054334.db2.gz FXMLEFHESDJYEI-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694783 539944889 /nfs/dbraw/zinc/94/48/89/539944889.db2.gz MMEGRKKHXBCSCS-HOCLYGCPSA-N 2 2 289.423 2.336 20 30 CEEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694783 539944894 /nfs/dbraw/zinc/94/48/94/539944894.db2.gz MMEGRKKHXBCSCS-HOCLYGCPSA-N 2 2 289.423 2.336 20 30 CEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353265126 295864358 /nfs/dbraw/zinc/86/43/58/295864358.db2.gz LRDUCUTXWKQXTE-KSSFIOAISA-N 2 2 299.418 2.246 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748369 364924982 /nfs/dbraw/zinc/92/49/82/364924982.db2.gz UOHIWRFKEOSECP-AWEZNQCLSA-N 2 2 284.338 2.420 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000335910986 365151022 /nfs/dbraw/zinc/15/10/22/365151022.db2.gz PXMCRTSYSZGWOO-UHFFFAOYSA-N 2 2 256.309 2.254 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000335910986 365151027 /nfs/dbraw/zinc/15/10/27/365151027.db2.gz PXMCRTSYSZGWOO-UHFFFAOYSA-N 2 2 256.309 2.254 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000172845657 367828810 /nfs/dbraw/zinc/82/88/10/367828810.db2.gz QJMSGOBZVSXGQL-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000172845657 367828816 /nfs/dbraw/zinc/82/88/16/367828816.db2.gz QJMSGOBZVSXGQL-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845657 367828822 /nfs/dbraw/zinc/82/88/22/367828822.db2.gz QJMSGOBZVSXGQL-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845657 367828829 /nfs/dbraw/zinc/82/88/29/367828829.db2.gz QJMSGOBZVSXGQL-XJKSGUPXSA-N 2 2 257.381 2.473 20 30 CEEDLP C=CCN1CC[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1=O ZINC000343608196 367912717 /nfs/dbraw/zinc/91/27/17/367912717.db2.gz UNKIBNYIJYJJRK-MRXNPFEDSA-N 2 2 287.407 2.041 20 30 CEEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1=O ZINC000343608196 367912720 /nfs/dbraw/zinc/91/27/20/367912720.db2.gz UNKIBNYIJYJJRK-MRXNPFEDSA-N 2 2 287.407 2.041 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174352115 368013982 /nfs/dbraw/zinc/01/39/82/368013982.db2.gz UXRKOVIUVWIAJK-CYBMUJFWSA-N 2 2 261.369 2.361 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174352115 368013985 /nfs/dbraw/zinc/01/39/85/368013985.db2.gz UXRKOVIUVWIAJK-CYBMUJFWSA-N 2 2 261.369 2.361 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181105691 368423051 /nfs/dbraw/zinc/42/30/51/368423051.db2.gz WUFHTBFANMXIFQ-OAHLLOKOSA-N 2 2 292.427 2.018 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635021895 369058808 /nfs/dbraw/zinc/05/88/08/369058808.db2.gz PIORKRPPMLCUOK-CABCVRRESA-N 2 2 266.429 2.335 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057994 369769095 /nfs/dbraw/zinc/76/90/95/369769095.db2.gz ZLYLFUOZPJJAAP-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057994 369769101 /nfs/dbraw/zinc/76/91/01/369769101.db2.gz ZLYLFUOZPJJAAP-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057994 369769106 /nfs/dbraw/zinc/76/91/06/369769106.db2.gz ZLYLFUOZPJJAAP-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192057994 369769110 /nfs/dbraw/zinc/76/91/10/369769110.db2.gz ZLYLFUOZPJJAAP-CQSZACIVSA-N 2 2 275.371 2.471 20 30 CEEDLP N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246824410 371017078 /nfs/dbraw/zinc/01/70/78/371017078.db2.gz NWRFMOJZAQQRIN-BFYDXBDKSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246824410 371017081 /nfs/dbraw/zinc/01/70/81/371017081.db2.gz NWRFMOJZAQQRIN-BFYDXBDKSA-N 2 2 286.423 2.379 20 30 CEEDLP N#CCC[C@H](C#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246824410 371017091 /nfs/dbraw/zinc/01/70/91/371017091.db2.gz NWRFMOJZAQQRIN-BFYDXBDKSA-N 2 2 286.423 2.379 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264070890 371960965 /nfs/dbraw/zinc/96/09/65/371960965.db2.gz DBUOPUKMGNFCJJ-LBPRGKRZSA-N 2 2 268.430 2.055 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CC1)c1ccsc1 ZINC000264121573 371974602 /nfs/dbraw/zinc/97/46/02/371974602.db2.gz VASRJZYHRDFLIG-ZDUSSCGKSA-N 2 2 280.441 2.198 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000272700214 373622223 /nfs/dbraw/zinc/62/22/23/373622223.db2.gz YMNLNHQUWLMRNR-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000272700214 373622228 /nfs/dbraw/zinc/62/22/28/373622228.db2.gz YMNLNHQUWLMRNR-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000272700214 373622236 /nfs/dbraw/zinc/62/22/36/373622236.db2.gz YMNLNHQUWLMRNR-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000272700214 373622245 /nfs/dbraw/zinc/62/22/45/373622245.db2.gz YMNLNHQUWLMRNR-ZBFHGGJFSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1C#N ZINC000282156021 375416275 /nfs/dbraw/zinc/41/62/75/375416275.db2.gz DAFAMXWYRUXLOT-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1C#N ZINC000282156021 375416277 /nfs/dbraw/zinc/41/62/77/375416277.db2.gz DAFAMXWYRUXLOT-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000282156021 375416282 /nfs/dbraw/zinc/41/62/82/375416282.db2.gz DAFAMXWYRUXLOT-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1C#N ZINC000282156021 375416285 /nfs/dbraw/zinc/41/62/85/375416285.db2.gz DAFAMXWYRUXLOT-CZUORRHYSA-N 2 2 287.407 2.481 20 30 CEEDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000329702877 377000105 /nfs/dbraw/zinc/00/01/05/377000105.db2.gz IJYFSVLUSIYDNE-GXTWGEPZSA-N 2 2 288.395 2.052 20 30 CEEDLP C=CCCCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000565226751 377617280 /nfs/dbraw/zinc/61/72/80/377617280.db2.gz MTXUCDCPNOUSQT-CABCVRRESA-N 2 2 252.402 2.089 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392415 378211818 /nfs/dbraw/zinc/21/18/18/378211818.db2.gz KDDGWZBDYKBGFL-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392415 378211822 /nfs/dbraw/zinc/21/18/22/378211822.db2.gz KDDGWZBDYKBGFL-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449548568 378216291 /nfs/dbraw/zinc/21/62/91/378216291.db2.gz OPFRLKVQMSPKMC-OLZOCXBDSA-N 2 2 281.425 2.028 20 30 CEEDLP N#Cc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000574694943 299518227 /nfs/dbraw/zinc/51/82/27/299518227.db2.gz VFKYRPLKLQAYSG-ZWKOTPCHSA-N 2 2 277.371 2.403 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C#N)c1 ZINC000530217004 380197533 /nfs/dbraw/zinc/19/75/33/380197533.db2.gz DXWIXSBDSGWFOV-DOMZBBRYSA-N 2 2 255.365 2.493 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(F)c1 ZINC000045107270 394508907 /nfs/dbraw/zinc/50/89/07/394508907.db2.gz JXCHPMDHSCYUII-UHFFFAOYSA-N 2 2 272.327 2.464 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332439833 394637358 /nfs/dbraw/zinc/63/73/58/394637358.db2.gz ZLIGZZWDXILVOF-DZGCQCFKSA-N 2 2 270.380 2.332 20 30 CEEDLP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000271157848 394749014 /nfs/dbraw/zinc/74/90/14/394749014.db2.gz CHDJIINYRPLWRH-FUHWJXTLSA-N 2 2 298.434 2.220 20 30 CEEDLP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000271157848 394749016 /nfs/dbraw/zinc/74/90/16/394749016.db2.gz CHDJIINYRPLWRH-FUHWJXTLSA-N 2 2 298.434 2.220 20 30 CEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)C1CCCC1 ZINC000271224350 394752779 /nfs/dbraw/zinc/75/27/79/394752779.db2.gz QGYOXYSLHINXDC-UHFFFAOYSA-N 2 2 250.346 2.061 20 30 CEEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423378200 394908175 /nfs/dbraw/zinc/90/81/75/394908175.db2.gz ZMNQVONSIXHBCU-RLCCDNCMSA-N 2 2 255.365 2.133 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000368028286 394975787 /nfs/dbraw/zinc/97/57/87/394975787.db2.gz CMFMDSHPMHDACD-QZTJIDSGSA-N 2 2 284.403 2.011 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000368028286 394975788 /nfs/dbraw/zinc/97/57/88/394975788.db2.gz CMFMDSHPMHDACD-QZTJIDSGSA-N 2 2 284.403 2.011 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000375876419 395102573 /nfs/dbraw/zinc/10/25/73/395102573.db2.gz QKYRBQZXQPCHMY-HIFRSBDPSA-N 2 2 281.363 2.439 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442708585 395390926 /nfs/dbraw/zinc/39/09/26/395390926.db2.gz JSXQPONMBWCERU-QAPCUYQASA-N 2 2 299.418 2.301 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)ccc1C#N ZINC000443990051 395409633 /nfs/dbraw/zinc/40/96/33/395409633.db2.gz QIOQJZVDHDJDIO-BBRMVZONSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)ccc1C#N ZINC000443990051 395409639 /nfs/dbraw/zinc/40/96/39/395409639.db2.gz QIOQJZVDHDJDIO-BBRMVZONSA-N 2 2 257.381 2.439 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000568741508 395568961 /nfs/dbraw/zinc/56/89/61/395568961.db2.gz VYVZSFPVDVTLQM-CQSZACIVSA-N 2 2 260.385 2.060 20 30 CEEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](C)CCCOC)C1 ZINC000651726304 401378717 /nfs/dbraw/zinc/37/87/17/401378717.db2.gz HYOANXVNKXQVAN-GJZGRUSLSA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+](C)CCCOC)C1 ZINC000651726304 401378720 /nfs/dbraw/zinc/37/87/20/401378720.db2.gz HYOANXVNKXQVAN-GJZGRUSLSA-N 2 2 254.418 2.289 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672860 174371354 /nfs/dbraw/zinc/37/13/54/174371354.db2.gz GBSISCWVGFQLBZ-UKRRQHHQSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672860 174371355 /nfs/dbraw/zinc/37/13/55/174371355.db2.gz GBSISCWVGFQLBZ-UKRRQHHQSA-N 2 2 273.380 2.334 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663498960 414972230 /nfs/dbraw/zinc/97/22/30/414972230.db2.gz WFUKFBGIUNPQHS-UHFFFAOYSA-N 2 2 258.365 2.093 20 30 CEEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762642 415444323 /nfs/dbraw/zinc/44/43/23/415444323.db2.gz GZGDEMZKPYXFBA-DZGCQCFKSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[C@@]1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCC[NH2+]1 ZINC000662709732 415937998 /nfs/dbraw/zinc/93/79/98/415937998.db2.gz ADZQSUXXIOZJSA-INIZCTEOSA-N 2 2 284.363 2.280 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666766820 419422723 /nfs/dbraw/zinc/42/27/23/419422723.db2.gz GLRCYKDBWCABFC-HNNXBMFYSA-N 2 2 260.381 2.483 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000291165778 263120538 /nfs/dbraw/zinc/12/05/38/263120538.db2.gz IZYBKCZIGXCCSY-UHFFFAOYSA-N 2 2 298.381 2.488 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415043954 263257706 /nfs/dbraw/zinc/25/77/06/263257706.db2.gz RSPHDPJZKGPJGV-OAHLLOKOSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341308154 263332952 /nfs/dbraw/zinc/33/29/52/263332952.db2.gz WVBKUXWZQKOIDV-SZMVWBNQSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341308154 263332953 /nfs/dbraw/zinc/33/29/53/263332953.db2.gz WVBKUXWZQKOIDV-SZMVWBNQSA-N 2 2 288.435 2.424 20 30 CEEDLP C[N@H+](CCCC#N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209442 267372083 /nfs/dbraw/zinc/37/20/83/267372083.db2.gz UHJWFQBUEIBKGJ-UHFFFAOYSA-N 2 2 272.396 2.282 20 30 CEEDLP C[N@@H+](CCCC#N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209442 267372086 /nfs/dbraw/zinc/37/20/86/267372086.db2.gz UHJWFQBUEIBKGJ-UHFFFAOYSA-N 2 2 272.396 2.282 20 30 CEEDLP Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425203722 267951292 /nfs/dbraw/zinc/95/12/92/267951292.db2.gz FSBSGJLLROAIJB-OAHLLOKOSA-N 2 2 286.404 2.460 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000571073798 328084142 /nfs/dbraw/zinc/08/41/42/328084142.db2.gz CXYUPRQKDCONES-OAHLLOKOSA-N 2 2 279.347 2.405 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422913487 330160353 /nfs/dbraw/zinc/16/03/53/330160353.db2.gz YONMZZZXDMUSOS-DZGCQCFKSA-N 2 2 260.381 2.339 20 30 CEEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000424159000 330305709 /nfs/dbraw/zinc/30/57/09/330305709.db2.gz RVTLXHIIZVJGTH-ZDUSSCGKSA-N 2 2 283.335 2.036 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nccn2CC)CC1 ZINC000537303341 330431889 /nfs/dbraw/zinc/43/18/89/330431889.db2.gz NIGIXYIYDJJOIZ-UHFFFAOYSA-N 2 2 262.401 2.033 20 30 CEEDLP C#CC[N@@H+](CC#CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000490950617 332132329 /nfs/dbraw/zinc/13/23/29/332132329.db2.gz RCUHSQRDDGFLRL-UHFFFAOYSA-N 2 2 269.373 2.392 20 30 CEEDLP C#CC[N@H+](CC#CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000490950617 332132330 /nfs/dbraw/zinc/13/23/30/332132330.db2.gz RCUHSQRDDGFLRL-UHFFFAOYSA-N 2 2 269.373 2.392 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174253299 335151436 /nfs/dbraw/zinc/15/14/36/335151436.db2.gz RFATVDJLNBACPF-GASCZTMLSA-N 2 2 281.444 2.405 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174253299 335151437 /nfs/dbraw/zinc/15/14/37/335151437.db2.gz RFATVDJLNBACPF-GASCZTMLSA-N 2 2 281.444 2.405 20 30 CEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174343207 335153093 /nfs/dbraw/zinc/15/30/93/335153093.db2.gz JLGZYFDEBZSBRY-AWEZNQCLSA-N 2 2 267.417 2.017 20 30 CEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174343207 335153095 /nfs/dbraw/zinc/15/30/95/335153095.db2.gz JLGZYFDEBZSBRY-AWEZNQCLSA-N 2 2 267.417 2.017 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000733328644 574664283 /nfs/dbraw/zinc/66/42/83/574664283.db2.gz YISXXHCQYJVCPD-MRXNPFEDSA-N 2 2 284.403 2.415 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000733328644 574664286 /nfs/dbraw/zinc/66/42/86/574664286.db2.gz YISXXHCQYJVCPD-MRXNPFEDSA-N 2 2 284.403 2.415 20 30 CEEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926702482 625776499 /nfs/dbraw/zinc/77/64/99/625776499.db2.gz HVBGCACZPWAKOH-CABCVRRESA-N 2 2 252.402 2.186 20 30 CEEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926702482 625776508 /nfs/dbraw/zinc/77/65/08/625776508.db2.gz HVBGCACZPWAKOH-CABCVRRESA-N 2 2 252.402 2.186 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250854828 628939185 /nfs/dbraw/zinc/93/91/85/628939185.db2.gz FUXFCHVJYBOSDG-GJZGRUSLSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250854828 628939187 /nfs/dbraw/zinc/93/91/87/628939187.db2.gz FUXFCHVJYBOSDG-GJZGRUSLSA-N 2 2 273.355 2.414 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902730694 634799024 /nfs/dbraw/zinc/79/90/24/634799024.db2.gz FSXDIGHZUAUGOD-LBPRGKRZSA-N 2 2 270.380 2.231 20 30 CEEDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000902755332 634810549 /nfs/dbraw/zinc/81/05/49/634810549.db2.gz NOAWIZNRZFHQLO-ZDUSSCGKSA-N 2 2 284.407 2.478 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000815652303 633043401 /nfs/dbraw/zinc/04/34/01/633043401.db2.gz XEYKZPBEESDXSL-NSHDSACASA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000815652303 633043407 /nfs/dbraw/zinc/04/34/07/633043407.db2.gz XEYKZPBEESDXSL-NSHDSACASA-N 2 2 251.399 2.057 20 30 CEEDLP C=C(CC[NH+](C)C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000900240436 633609083 /nfs/dbraw/zinc/60/90/83/633609083.db2.gz POULHJBCFXUQTD-UHFFFAOYSA-N 2 2 284.363 2.319 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902949791 634909383 /nfs/dbraw/zinc/90/93/83/634909383.db2.gz CNNKMKPUYSFWFZ-DZGCQCFKSA-N 2 2 271.364 2.460 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1 ZINC000903153490 634991565 /nfs/dbraw/zinc/99/15/65/634991565.db2.gz NPXTWORQKGGCBW-ZXFUBFMLSA-N 2 2 282.391 2.201 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903153490 634991568 /nfs/dbraw/zinc/99/15/68/634991568.db2.gz NPXTWORQKGGCBW-ZXFUBFMLSA-N 2 2 282.391 2.201 20 30 CEEDLP C#C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535402 635777819 /nfs/dbraw/zinc/77/78/19/635777819.db2.gz VXKNEUDMIWHBKY-CQSZACIVSA-N 2 2 266.348 2.113 20 30 CEEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535402 635777825 /nfs/dbraw/zinc/77/78/25/635777825.db2.gz VXKNEUDMIWHBKY-CQSZACIVSA-N 2 2 266.348 2.113 20 30 CEEDLP C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000858331623 645120943 /nfs/dbraw/zinc/12/09/43/645120943.db2.gz GFCCPCRHKWRKKO-INIZCTEOSA-N 2 2 283.375 2.390 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000866363755 647756940 /nfs/dbraw/zinc/75/69/40/647756940.db2.gz NRLSDIUDWKPAFL-INIZCTEOSA-N 2 2 259.397 2.323 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000866363755 647756944 /nfs/dbraw/zinc/75/69/44/647756944.db2.gz NRLSDIUDWKPAFL-INIZCTEOSA-N 2 2 259.397 2.323 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791136786 648484628 /nfs/dbraw/zinc/48/46/28/648484628.db2.gz OIXVJCTYPHBMBE-LBPRGKRZSA-N 2 2 261.369 2.088 20 30 CEEDLP C#CCCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552312 651128482 /nfs/dbraw/zinc/12/84/82/651128482.db2.gz NMBUUVLQWKQSFU-KRWDZBQOSA-N 2 2 278.440 2.367 20 30 CEEDLP C#CCCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552312 651128484 /nfs/dbraw/zinc/12/84/84/651128484.db2.gz NMBUUVLQWKQSFU-KRWDZBQOSA-N 2 2 278.440 2.367 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000883131051 652372210 /nfs/dbraw/zinc/37/22/10/652372210.db2.gz DIUCPXMNFAKCEI-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000883131051 652372214 /nfs/dbraw/zinc/37/22/14/652372214.db2.gz DIUCPXMNFAKCEI-UHFFFAOYSA-N 2 2 296.418 2.225 20 30 CEEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663639 806584518 /nfs/dbraw/zinc/58/45/18/806584518.db2.gz NAOFZLDZJVKPPI-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663639 806584532 /nfs/dbraw/zinc/58/45/32/806584532.db2.gz NAOFZLDZJVKPPI-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038251474 803272733 /nfs/dbraw/zinc/27/27/33/803272733.db2.gz HGQPGTARGVCUFY-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038251474 803272737 /nfs/dbraw/zinc/27/27/37/803272737.db2.gz HGQPGTARGVCUFY-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC000230713854 804007025 /nfs/dbraw/zinc/00/70/25/804007025.db2.gz SVASADWIGOHIDM-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC000230713854 804007035 /nfs/dbraw/zinc/00/70/35/804007035.db2.gz SVASADWIGOHIDM-UHFFFAOYSA-N 2 2 263.360 2.471 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972881 809633842 /nfs/dbraw/zinc/63/38/42/809633842.db2.gz LXJDAWJTJNAAID-UHFFFAOYSA-N 2 2 280.416 2.019 20 30 CEEDLP CCCCCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972881 809633844 /nfs/dbraw/zinc/63/38/44/809633844.db2.gz LXJDAWJTJNAAID-UHFFFAOYSA-N 2 2 280.416 2.019 20 30 CEEDLP CCCCCCCC[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C ZINC001121926766 815367433 /nfs/dbraw/zinc/36/74/33/815367433.db2.gz RWEJSABNYMFSSP-ZDUSSCGKSA-N 2 2 280.416 2.412 20 30 CEEDLP N#CCc1cc(N2CCCc3ccc(C[NH3+])nc32)cc[nH+]1 ZINC001169591335 811579524 /nfs/dbraw/zinc/57/95/24/811579524.db2.gz UHXRYNDTKDMFLJ-UHFFFAOYSA-N 2 2 279.347 2.086 20 30 CEEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001054921600 812667597 /nfs/dbraw/zinc/66/75/97/812667597.db2.gz BSIUEMNSIGWESB-IUODEOHRSA-N 2 2 287.407 2.243 20 30 CEEDLP C=CCCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976393 812764375 /nfs/dbraw/zinc/76/43/75/812764375.db2.gz MVJDLWGFXALEEP-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000385508639 813139738 /nfs/dbraw/zinc/13/97/38/813139738.db2.gz MJXJYAJGMGCGNR-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000385508639 813139742 /nfs/dbraw/zinc/13/97/42/813139742.db2.gz MJXJYAJGMGCGNR-UHFFFAOYSA-N 2 2 252.308 2.010 20 30 CEEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227217 813234804 /nfs/dbraw/zinc/23/48/04/813234804.db2.gz CKWJZWVNGUDIQN-KBPBESRZSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969883 813348185 /nfs/dbraw/zinc/34/81/85/813348185.db2.gz OFRHZNHAMYRZHM-OLZOCXBDSA-N 2 2 286.379 2.007 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501788 816215268 /nfs/dbraw/zinc/21/52/68/816215268.db2.gz FUIUTWHBNADMOD-LSDHHAIUSA-N 2 2 292.427 2.285 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC#N ZINC000601968583 346945938 /nfs/dbraw/zinc/94/59/38/346945938.db2.gz OUQLSAGAKBQSLG-ZBFHGGJFSA-N 2 2 257.381 2.258 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC#N ZINC000601968583 346945941 /nfs/dbraw/zinc/94/59/41/346945941.db2.gz OUQLSAGAKBQSLG-ZBFHGGJFSA-N 2 2 257.381 2.258 20 30 CEEDLP CCNC(NC[C@@H](c1ccco1)[NH+]1CCCCC1)=[NH+]CC ZINC000068467040 343764953 /nfs/dbraw/zinc/76/49/53/343764953.db2.gz JWKGCBUHCPCPOG-AWEZNQCLSA-N 2 2 292.427 2.382 20 30 CEEDLP C=CCCC[C@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000091511028 344166525 /nfs/dbraw/zinc/16/65/25/344166525.db2.gz IYDUEAMOPDTUQM-HNNXBMFYSA-N 2 2 276.428 2.283 20 30 CEEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602531374 347068842 /nfs/dbraw/zinc/06/88/42/347068842.db2.gz HQTHYDPPRWKNBU-HNNXBMFYSA-N 3 2 292.471 2.074 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000491413929 344911564 /nfs/dbraw/zinc/91/15/64/344911564.db2.gz AHLQCOAJWWERSC-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000491413929 344911567 /nfs/dbraw/zinc/91/15/67/344911567.db2.gz AHLQCOAJWWERSC-LBPRGKRZSA-N 2 2 265.788 2.341 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728763 345275960 /nfs/dbraw/zinc/27/59/60/345275960.db2.gz GKESAYLCLQJOQF-ZDUSSCGKSA-N 2 2 263.410 2.463 20 30 CEEDLP N#CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728763 345275963 /nfs/dbraw/zinc/27/59/63/345275963.db2.gz GKESAYLCLQJOQF-ZDUSSCGKSA-N 2 2 263.410 2.463 20 30 CEEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549758 345810047 /nfs/dbraw/zinc/81/00/47/345810047.db2.gz MJYHJXHUTVMYIX-RHSMWYFYSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549758 345810051 /nfs/dbraw/zinc/81/00/51/345810051.db2.gz MJYHJXHUTVMYIX-RHSMWYFYSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549758 345810055 /nfs/dbraw/zinc/81/00/55/345810055.db2.gz MJYHJXHUTVMYIX-RHSMWYFYSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000595549758 345810056 /nfs/dbraw/zinc/81/00/56/345810056.db2.gz MJYHJXHUTVMYIX-RHSMWYFYSA-N 2 2 289.423 2.252 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863264 345901313 /nfs/dbraw/zinc/90/13/13/345901313.db2.gz MHDFEBRPBRMEEW-RDTXWAMCSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863264 345901316 /nfs/dbraw/zinc/90/13/16/345901316.db2.gz MHDFEBRPBRMEEW-RDTXWAMCSA-N 2 2 299.418 2.150 20 30 CEEDLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1 ZINC000596652828 346072390 /nfs/dbraw/zinc/07/23/90/346072390.db2.gz ILRPKQFSIHDRLG-SIWZUTFBSA-N 2 2 255.365 2.351 20 30 CEEDLP N#CC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597176957 346142309 /nfs/dbraw/zinc/14/23/09/346142309.db2.gz KBIAUGMJGNOYOX-CQSZACIVSA-N 2 2 281.363 2.393 20 30 CEEDLP N#CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597176957 346142312 /nfs/dbraw/zinc/14/23/12/346142312.db2.gz KBIAUGMJGNOYOX-CQSZACIVSA-N 2 2 281.363 2.393 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000600712581 346676126 /nfs/dbraw/zinc/67/61/26/346676126.db2.gz YODQBTCKSYGPKL-UHIISALHSA-N 2 2 261.344 2.488 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)o1 ZINC000600776729 346688393 /nfs/dbraw/zinc/68/83/93/346688393.db2.gz RHEYGSGMSQBCPJ-JOYOIKCWSA-N 2 2 287.285 2.110 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)o1 ZINC000600776729 346688395 /nfs/dbraw/zinc/68/83/95/346688395.db2.gz RHEYGSGMSQBCPJ-JOYOIKCWSA-N 2 2 287.285 2.110 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000600776727 346688434 /nfs/dbraw/zinc/68/84/34/346688434.db2.gz RHEYGSGMSQBCPJ-BXKDBHETSA-N 2 2 287.285 2.110 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000600776727 346688435 /nfs/dbraw/zinc/68/84/35/346688435.db2.gz RHEYGSGMSQBCPJ-BXKDBHETSA-N 2 2 287.285 2.110 20 30 CEEDLP CC(C)(C[NH2+]Cc1cccc(C#N)n1)C[NH+]1CCCC1 ZINC000602633591 347114050 /nfs/dbraw/zinc/11/40/50/347114050.db2.gz ZFWMMDXLKMDUOP-UHFFFAOYSA-N 2 2 272.396 2.165 20 30 CEEDLP N#CCC[C@H](C#N)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844718 347221949 /nfs/dbraw/zinc/22/19/49/347221949.db2.gz DVDMAXNDDJMEHW-OAHLLOKOSA-N 2 2 283.379 2.037 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807250 349044635 /nfs/dbraw/zinc/04/46/35/349044635.db2.gz TYMNAWOVPTUZCW-LYRGGWFBSA-N 2 2 255.365 2.085 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807250 349044640 /nfs/dbraw/zinc/04/46/40/349044640.db2.gz TYMNAWOVPTUZCW-LYRGGWFBSA-N 2 2 255.365 2.085 20 30 CEEDLP N#Cc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792167 186272782 /nfs/dbraw/zinc/27/27/82/186272782.db2.gz OGZLVMGJWINHRH-UHFFFAOYSA-N 2 2 296.374 2.471 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000131344439 366044025 /nfs/dbraw/zinc/04/40/25/366044025.db2.gz DWQNPBOESZQGBY-GJZGRUSLSA-N 2 2 285.395 2.118 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000131344439 366044031 /nfs/dbraw/zinc/04/40/31/366044031.db2.gz DWQNPBOESZQGBY-GJZGRUSLSA-N 2 2 285.395 2.118 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000122271272 187023214 /nfs/dbraw/zinc/02/32/14/187023214.db2.gz DGPXWWKAOZVQMK-IUODEOHRSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000122271272 187023215 /nfs/dbraw/zinc/02/32/15/187023215.db2.gz DGPXWWKAOZVQMK-IUODEOHRSA-N 2 2 255.365 2.273 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127948 /nfs/dbraw/zinc/12/79/48/367127948.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127952 /nfs/dbraw/zinc/12/79/52/367127952.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127959 /nfs/dbraw/zinc/12/79/59/367127959.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127962 /nfs/dbraw/zinc/12/79/62/367127962.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1C[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000341487707 367353648 /nfs/dbraw/zinc/35/36/48/367353648.db2.gz PMGFZISFWVLZHJ-BBRMVZONSA-N 2 2 257.381 2.031 20 30 CEEDLP CC[N@@H+]1C[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000341487707 367353652 /nfs/dbraw/zinc/35/36/52/367353652.db2.gz PMGFZISFWVLZHJ-BBRMVZONSA-N 2 2 257.381 2.031 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000172116627 367675838 /nfs/dbraw/zinc/67/58/38/367675838.db2.gz XMXQUUHIHMIFPW-OAHLLOKOSA-N 2 2 283.375 2.321 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177681441 368278879 /nfs/dbraw/zinc/27/88/79/368278879.db2.gz BCBRNKCJAHGZQX-CQSZACIVSA-N 2 2 293.436 2.066 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177681441 368278885 /nfs/dbraw/zinc/27/88/85/368278885.db2.gz BCBRNKCJAHGZQX-CQSZACIVSA-N 2 2 293.436 2.066 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000181718854 368486215 /nfs/dbraw/zinc/48/62/15/368486215.db2.gz FOHPSIXEGVBVPN-SFHVURJKSA-N 2 2 299.418 2.291 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348048240 368874341 /nfs/dbraw/zinc/87/43/41/368874341.db2.gz KTLPYSGNXHYRAG-HUUCEWRRSA-N 2 2 263.385 2.359 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348048240 368874345 /nfs/dbraw/zinc/87/43/45/368874345.db2.gz KTLPYSGNXHYRAG-HUUCEWRRSA-N 2 2 263.385 2.359 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635024204 369058814 /nfs/dbraw/zinc/05/88/14/369058814.db2.gz UFUFGBQOJSEQOI-UONOGXRCSA-N 2 2 254.418 2.335 20 30 CEEDLP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000191400773 369710181 /nfs/dbraw/zinc/71/01/81/369710181.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000191400773 369710186 /nfs/dbraw/zinc/71/01/86/369710186.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N ZINC000191400773 369710190 /nfs/dbraw/zinc/71/01/90/369710190.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000191400773 369710194 /nfs/dbraw/zinc/71/01/94/369710194.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 2 274.412 2.203 20 30 CEEDLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1C#N ZINC000234963132 370551990 /nfs/dbraw/zinc/55/19/90/370551990.db2.gz AKOXQSSWRHGKFY-UHFFFAOYSA-N 2 2 273.380 2.093 20 30 CEEDLP Cc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1 ZINC000264075491 371963465 /nfs/dbraw/zinc/96/34/65/371963465.db2.gz FLEPMAWOLAOWIG-CQSZACIVSA-N 2 2 276.428 2.301 20 30 CEEDLP CC(C)CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000264090645 371967143 /nfs/dbraw/zinc/96/71/43/371967143.db2.gz KWARPDQDDVIWAQ-UHFFFAOYSA-N 2 2 273.384 2.056 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1cccs1)[NH+](C)C ZINC000264109177 371972747 /nfs/dbraw/zinc/97/27/47/371972747.db2.gz OKMSUGTZOJRMIE-NSHDSACASA-N 2 2 268.430 2.007 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccco1)[NH+](CC)CC ZINC000264121712 371974654 /nfs/dbraw/zinc/97/46/54/371974654.db2.gz VFUUJWWCWJUXGH-CYBMUJFWSA-N 2 2 280.416 2.319 20 30 CEEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268656520 372170555 /nfs/dbraw/zinc/17/05/55/372170555.db2.gz LBBJRLJSLSVJQH-JKSUJKDBSA-N 2 2 296.374 2.194 20 30 CEEDLP COC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344299333 217139851 /nfs/dbraw/zinc/13/98/51/217139851.db2.gz FRZMAFKDLSZGDR-CQSZACIVSA-N 2 2 287.407 2.147 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692015 373617304 /nfs/dbraw/zinc/61/73/04/373617304.db2.gz XFPFRJOZQBLOMY-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692015 373617312 /nfs/dbraw/zinc/61/73/12/373617312.db2.gz XFPFRJOZQBLOMY-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692015 373617317 /nfs/dbraw/zinc/61/73/17/373617317.db2.gz XFPFRJOZQBLOMY-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692015 373617322 /nfs/dbraw/zinc/61/73/22/373617322.db2.gz XFPFRJOZQBLOMY-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000281606057 375389844 /nfs/dbraw/zinc/38/98/44/375389844.db2.gz GETIGETZIVYIRZ-UHFFFAOYSA-N 2 2 282.819 2.204 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000414114272 375796172 /nfs/dbraw/zinc/79/61/72/375796172.db2.gz LKZZFLGNEAFDHZ-CYBMUJFWSA-N 2 2 262.401 2.111 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000420317278 376682186 /nfs/dbraw/zinc/68/21/86/376682186.db2.gz ZFMJDKMSUAISHF-DZGCQCFKSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000420317278 376682190 /nfs/dbraw/zinc/68/21/90/376682190.db2.gz ZFMJDKMSUAISHF-DZGCQCFKSA-N 2 2 289.423 2.143 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)s1 ZINC000290427330 376775196 /nfs/dbraw/zinc/77/51/96/376775196.db2.gz LCTNLIVTOXTRDE-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)s1 ZINC000290427330 376775203 /nfs/dbraw/zinc/77/52/03/376775203.db2.gz LCTNLIVTOXTRDE-UHFFFAOYSA-N 2 2 260.366 2.338 20 30 CEEDLP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423023383 376939165 /nfs/dbraw/zinc/93/91/65/376939165.db2.gz HGFZTFVDDCCDDL-SWLSCSKDSA-N 2 2 255.365 2.277 20 30 CEEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442707058 377982408 /nfs/dbraw/zinc/98/24/08/377982408.db2.gz FPHQOXXIOBLNHH-BBWFWOEESA-N 2 2 271.408 2.441 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487288932 380084929 /nfs/dbraw/zinc/08/49/29/380084929.db2.gz OHYDOANWQYIBEH-ARJAWSKDSA-N 2 2 257.381 2.335 20 30 CEEDLP CC#CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364473006 262248239 /nfs/dbraw/zinc/24/82/39/262248239.db2.gz ZJFFRBWVDPODGZ-SWLSCSKDSA-N 2 2 277.437 2.275 20 30 CEEDLP CC#CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364473006 262248240 /nfs/dbraw/zinc/24/82/40/262248240.db2.gz ZJFFRBWVDPODGZ-SWLSCSKDSA-N 2 2 277.437 2.275 20 30 CEEDLP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328919916 394556880 /nfs/dbraw/zinc/55/68/80/394556880.db2.gz LPJXQVAURKHDSK-CYBMUJFWSA-N 2 2 290.411 2.275 20 30 CEEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330309518 394600569 /nfs/dbraw/zinc/60/05/69/394600569.db2.gz MWDMOIKIGIJOQI-ZIAGYGMSSA-N 2 2 290.411 2.417 20 30 CEEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330309518 394600570 /nfs/dbraw/zinc/60/05/70/394600570.db2.gz MWDMOIKIGIJOQI-ZIAGYGMSSA-N 2 2 290.411 2.417 20 30 CEEDLP Cc1[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c[nH+]1 ZINC000330451081 394611178 /nfs/dbraw/zinc/61/11/78/394611178.db2.gz KCVVZGVUHJZKPI-UHFFFAOYSA-N 2 2 252.362 2.142 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000122452049 394814168 /nfs/dbraw/zinc/81/41/68/394814168.db2.gz JQVNAATUQPMIGC-CYBMUJFWSA-N 2 2 294.468 2.397 20 30 CEEDLP C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152406961 394996337 /nfs/dbraw/zinc/99/63/37/394996337.db2.gz OSDJWYLHMQVWJW-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152406961 394996339 /nfs/dbraw/zinc/99/63/39/394996339.db2.gz OSDJWYLHMQVWJW-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(F)cc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152406961 394996342 /nfs/dbraw/zinc/99/63/42/394996342.db2.gz OSDJWYLHMQVWJW-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(F)cc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152406961 394996344 /nfs/dbraw/zinc/99/63/44/394996344.db2.gz OSDJWYLHMQVWJW-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425203720 395052204 /nfs/dbraw/zinc/05/22/04/395052204.db2.gz FSBSGJLLROAIJB-HNNXBMFYSA-N 2 2 286.404 2.460 20 30 CEEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000375876421 395102500 /nfs/dbraw/zinc/10/25/00/395102500.db2.gz QKYRBQZXQPCHMY-UKRRQHHQSA-N 2 2 281.363 2.439 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174363376 395122781 /nfs/dbraw/zinc/12/27/81/395122781.db2.gz LWFLCCXGLWYQNQ-UHFFFAOYSA-N 2 2 259.353 2.281 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346823128 395108624 /nfs/dbraw/zinc/10/86/24/395108624.db2.gz CCPKESHOVODFRW-DOTOQJQBSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346823128 395108626 /nfs/dbraw/zinc/10/86/26/395108626.db2.gz CCPKESHOVODFRW-DOTOQJQBSA-N 2 2 290.407 2.190 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000295020430 395283377 /nfs/dbraw/zinc/28/33/77/395283377.db2.gz NQVYPFJKBVDAQD-AWEZNQCLSA-N 2 2 290.407 2.310 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000295020430 395283386 /nfs/dbraw/zinc/28/33/86/395283386.db2.gz NQVYPFJKBVDAQD-AWEZNQCLSA-N 2 2 290.407 2.310 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)ccc1C#N ZINC000443990052 395409129 /nfs/dbraw/zinc/40/91/29/395409129.db2.gz QIOQJZVDHDJDIO-CJNGLKHVSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1C#N ZINC000443990052 395409131 /nfs/dbraw/zinc/40/91/31/395409131.db2.gz QIOQJZVDHDJDIO-CJNGLKHVSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000444005913 395410373 /nfs/dbraw/zinc/41/03/73/395410373.db2.gz ZEADITFYUWCYCY-GUYCJALGSA-N 2 2 269.392 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000444005913 395410374 /nfs/dbraw/zinc/41/03/74/395410374.db2.gz ZEADITFYUWCYCY-GUYCJALGSA-N 2 2 269.392 2.439 20 30 CEEDLP C=C(CC)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689659 415075464 /nfs/dbraw/zinc/07/54/64/415075464.db2.gz IERLKQGLMWLVRH-AWEZNQCLSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000656694407 415818522 /nfs/dbraw/zinc/81/85/22/415818522.db2.gz LTPNZWFOBVDSKT-CQSZACIVSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[NH+](Cc1cccs1)C[C@H](O)C[N@H+](C)C(C)C ZINC000656694407 415818525 /nfs/dbraw/zinc/81/85/25/415818525.db2.gz LTPNZWFOBVDSKT-CQSZACIVSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[N@H+](Cc1cccs1)C[C@H](O)C[NH+](C)C(C)C ZINC000656694407 415818529 /nfs/dbraw/zinc/81/85/29/415818529.db2.gz LTPNZWFOBVDSKT-CQSZACIVSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CC[N@@H+](Cc1cccs1)C[C@H](O)C[NH+](C)C(C)C ZINC000656694407 415818532 /nfs/dbraw/zinc/81/85/32/415818532.db2.gz LTPNZWFOBVDSKT-CQSZACIVSA-N 2 2 282.453 2.437 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427106540 260551772 /nfs/dbraw/zinc/55/17/72/260551772.db2.gz FGNJEYYWICXXGN-GDBMZVCRSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427106540 260551774 /nfs/dbraw/zinc/55/17/74/260551774.db2.gz FGNJEYYWICXXGN-GDBMZVCRSA-N 2 2 272.392 2.435 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000192654458 262207069 /nfs/dbraw/zinc/20/70/69/262207069.db2.gz AHEPBTJTFNSTHQ-HIFRSBDPSA-N 2 2 281.363 2.439 20 30 CEEDLP Cn1c[nH+]cc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262287036 262767221 /nfs/dbraw/zinc/76/72/21/262767221.db2.gz KLLFAJWCRSYVNV-UHFFFAOYSA-N 2 2 283.379 2.226 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCO1 ZINC000278295038 263046703 /nfs/dbraw/zinc/04/67/03/263046703.db2.gz CXJQDBNKCSXLPY-NHIYQJMISA-N 2 2 288.395 2.312 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357047054 266238554 /nfs/dbraw/zinc/23/85/54/266238554.db2.gz IYGVQNGBBXRKNY-ZBFHGGJFSA-N 2 2 272.392 2.293 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357047054 266238557 /nfs/dbraw/zinc/23/85/57/266238557.db2.gz IYGVQNGBBXRKNY-ZBFHGGJFSA-N 2 2 272.392 2.293 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCOC2)CC1 ZINC000361209663 266802416 /nfs/dbraw/zinc/80/24/16/266802416.db2.gz UEIHNWRGRKHFIY-ZFWWWQNUSA-N 2 2 252.402 2.042 20 30 CEEDLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080669 /nfs/dbraw/zinc/08/06/69/314080669.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080673 /nfs/dbraw/zinc/08/06/73/314080673.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080677 /nfs/dbraw/zinc/08/06/77/314080677.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 2 289.423 2.254 20 30 CEEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000571266194 314080679 /nfs/dbraw/zinc/08/06/79/314080679.db2.gz GGIMRXUEIHQYPY-RHSMWYFYSA-N 2 2 289.423 2.254 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262020102 328143750 /nfs/dbraw/zinc/14/37/50/328143750.db2.gz XLMGSXHJIBJLQU-LBPRGKRZSA-N 2 2 294.468 2.151 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000262020102 328143751 /nfs/dbraw/zinc/14/37/51/328143751.db2.gz XLMGSXHJIBJLQU-LBPRGKRZSA-N 2 2 294.468 2.151 20 30 CEEDLP CN(C(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CC1 ZINC000262176968 328146445 /nfs/dbraw/zinc/14/64/45/328146445.db2.gz DGJYIXXCBOLVBO-AWEZNQCLSA-N 2 2 290.411 2.216 20 30 CEEDLP C=CCC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861929 328365733 /nfs/dbraw/zinc/36/57/33/328365733.db2.gz YNLAIRNSYMRBST-HNNXBMFYSA-N 2 2 275.396 2.285 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000558750211 327118707 /nfs/dbraw/zinc/11/87/07/327118707.db2.gz CAJHLYUIKQVTFS-AWEZNQCLSA-N 2 2 283.379 2.084 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000174363221 329155642 /nfs/dbraw/zinc/15/56/42/329155642.db2.gz OFKACKASTVKNAU-UHFFFAOYSA-N 2 2 284.407 2.464 20 30 CEEDLP C=C(C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318063 329366038 /nfs/dbraw/zinc/36/60/38/329366038.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188318063 329366040 /nfs/dbraw/zinc/36/60/40/329366040.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188318063 329366042 /nfs/dbraw/zinc/36/60/42/329366042.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188318063 329366043 /nfs/dbraw/zinc/36/60/43/329366043.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 2 274.408 2.131 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422909392 330159734 /nfs/dbraw/zinc/15/97/34/330159734.db2.gz NXZBQQDBURHMET-ZBFHGGJFSA-N 2 2 290.407 2.108 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000424179526 330318569 /nfs/dbraw/zinc/31/85/69/330318569.db2.gz YSNKVCCWIGXHGB-ZFWWWQNUSA-N 2 2 271.364 2.323 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2CCC(COC)CC2)CC1 ZINC000449128478 330900753 /nfs/dbraw/zinc/90/07/53/330900753.db2.gz ZBNMKQXYQUDNED-UHFFFAOYSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347058341 526862718 /nfs/dbraw/zinc/86/27/18/526862718.db2.gz WJHKJBYNBGDLBR-GFCCVEGCSA-N 2 2 264.369 2.039 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347058341 526862723 /nfs/dbraw/zinc/86/27/23/526862723.db2.gz WJHKJBYNBGDLBR-GFCCVEGCSA-N 2 2 264.369 2.039 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184431 613788925 /nfs/dbraw/zinc/78/89/25/613788925.db2.gz SZBQWCIPQQFYJZ-OCCSQVGLSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942184431 613788928 /nfs/dbraw/zinc/78/89/28/613788928.db2.gz SZBQWCIPQQFYJZ-OCCSQVGLSA-N 2 2 298.390 2.189 20 30 CEEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC000986542477 631256194 /nfs/dbraw/zinc/25/61/94/631256194.db2.gz GQFUKUOISRXYBM-KBPBESRZSA-N 2 2 298.390 2.103 20 30 CEEDLP C#CCOc1ccccc1C[N@H+](CC)CCC[NH+](C)C ZINC000809749132 632139185 /nfs/dbraw/zinc/13/91/85/632139185.db2.gz BZXXKACCEFINPG-UHFFFAOYSA-N 2 2 274.408 2.472 20 30 CEEDLP C#CCOc1ccccc1C[N@@H+](CC)CCC[NH+](C)C ZINC000809749132 632139189 /nfs/dbraw/zinc/13/91/89/632139189.db2.gz BZXXKACCEFINPG-UHFFFAOYSA-N 2 2 274.408 2.472 20 30 CEEDLP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000926961195 632387899 /nfs/dbraw/zinc/38/78/99/632387899.db2.gz OILSSOVNKJQMIF-BBRMVZONSA-N 2 2 275.396 2.176 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044351 /nfs/dbraw/zinc/04/43/51/633044351.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 2 299.462 2.052 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044354 /nfs/dbraw/zinc/04/43/54/633044354.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 2 299.462 2.052 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819023835 634044298 /nfs/dbraw/zinc/04/42/98/634044298.db2.gz KBUNEMKFGBDFBF-MRXNPFEDSA-N 2 2 278.371 2.099 20 30 CEEDLP C#CCC[N@@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000827822738 636434398 /nfs/dbraw/zinc/43/43/98/636434398.db2.gz DPDOPUCOJIEAKG-UHFFFAOYSA-N 2 2 289.404 2.406 20 30 CEEDLP C#CCC[N@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000827822738 636434402 /nfs/dbraw/zinc/43/44/02/636434402.db2.gz DPDOPUCOJIEAKG-UHFFFAOYSA-N 2 2 289.404 2.406 20 30 CEEDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876943921 650499428 /nfs/dbraw/zinc/49/94/28/650499428.db2.gz WFROTSZHVNBQTP-NSHDSACASA-N 2 2 278.787 2.038 20 30 CEEDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000876943921 650499430 /nfs/dbraw/zinc/49/94/30/650499430.db2.gz WFROTSZHVNBQTP-NSHDSACASA-N 2 2 278.787 2.038 20 30 CEEDLP C=CCC[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001003156602 642918210 /nfs/dbraw/zinc/91/82/10/642918210.db2.gz URFZOMSVCUCYNN-UHFFFAOYSA-N 2 2 298.390 2.333 20 30 CEEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744581 650891096 /nfs/dbraw/zinc/89/10/96/650891096.db2.gz VQLUQAOORMBKQP-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744581 650891098 /nfs/dbraw/zinc/89/10/98/650891098.db2.gz VQLUQAOORMBKQP-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744581 650891104 /nfs/dbraw/zinc/89/11/04/650891104.db2.gz VQLUQAOORMBKQP-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000877744581 650891108 /nfs/dbraw/zinc/89/11/08/650891108.db2.gz VQLUQAOORMBKQP-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CSC1 ZINC000878911627 651208399 /nfs/dbraw/zinc/20/83/99/651208399.db2.gz KRLDGFSSFMMHCZ-UHFFFAOYSA-N 2 2 283.400 2.423 20 30 CEEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CSC1 ZINC000878911627 651208401 /nfs/dbraw/zinc/20/84/01/651208401.db2.gz KRLDGFSSFMMHCZ-UHFFFAOYSA-N 2 2 283.400 2.423 20 30 CEEDLP CC1([NH+]2CCC2)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000880472662 651446870 /nfs/dbraw/zinc/44/68/70/651446870.db2.gz XORRYWNSXATMFJ-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C=CCOCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569658 651462217 /nfs/dbraw/zinc/46/22/17/651462217.db2.gz NRIAHYPULONUMX-MRXNPFEDSA-N 2 2 271.364 2.417 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697904184 806751139 /nfs/dbraw/zinc/75/11/39/806751139.db2.gz NCGGETQRRBXGNT-CQSZACIVSA-N 2 2 260.381 2.128 20 30 CEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001036114578 809859536 /nfs/dbraw/zinc/85/95/36/809859536.db2.gz FFVKGSQNLUNVDW-CJNGLKHVSA-N 2 2 299.418 2.080 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086401766 811130473 /nfs/dbraw/zinc/13/04/73/811130473.db2.gz SGWYZGYVRQTOEI-MQMHXKEQSA-N 2 2 298.390 2.237 20 30 CEEDLP C=CC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045501213 811619273 /nfs/dbraw/zinc/61/92/73/811619273.db2.gz UFANXZJWLSFBRV-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]C[C@@H]3F)C[C@H](C1)C2 ZINC001246084503 813676545 /nfs/dbraw/zinc/67/65/45/813676545.db2.gz FPEPCOWVYYPYKK-AWQNUYMJSA-N 2 2 252.377 2.411 20 30 CEEDLP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C[C@H]3F)C[C@H](C1)C2 ZINC001246084512 813677136 /nfs/dbraw/zinc/67/71/36/813677136.db2.gz FPEPCOWVYYPYKK-JSPOSNOBSA-N 2 2 252.377 2.411 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCn1cc[nH+]c1 ZINC001171176043 814060079 /nfs/dbraw/zinc/06/00/79/814060079.db2.gz OORASUCKTUKXOH-AWEZNQCLSA-N 2 2 268.364 2.366 20 30 CEEDLP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001138554949 815826286 /nfs/dbraw/zinc/82/62/86/815826286.db2.gz KDQFJORBLOQQCH-UHFFFAOYSA-N 2 2 272.392 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001138554949 815826294 /nfs/dbraw/zinc/82/62/94/815826294.db2.gz KDQFJORBLOQQCH-UHFFFAOYSA-N 2 2 272.392 2.225 20 30 CEEDLP CC[N@H+](CCC#N)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140972809 816427835 /nfs/dbraw/zinc/42/78/35/816427835.db2.gz ABBQSCDPRDTUQY-UHFFFAOYSA-N 2 2 286.423 2.174 20 30 CEEDLP CC[N@@H+](CCC#N)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140972809 816427840 /nfs/dbraw/zinc/42/78/40/816427840.db2.gz ABBQSCDPRDTUQY-UHFFFAOYSA-N 2 2 286.423 2.174 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309867950 539273420 /nfs/dbraw/zinc/27/34/20/539273420.db2.gz OCUWAWGTQHGUFR-KRWDZBQOSA-N 2 2 274.408 2.443 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309867950 539273421 /nfs/dbraw/zinc/27/34/21/539273421.db2.gz OCUWAWGTQHGUFR-KRWDZBQOSA-N 2 2 274.408 2.443 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961544 344031021 /nfs/dbraw/zinc/03/10/21/344031021.db2.gz KCPBDRMYOBCDRN-CQSZACIVSA-N 2 2 290.411 2.014 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961544 344031022 /nfs/dbraw/zinc/03/10/22/344031022.db2.gz KCPBDRMYOBCDRN-CQSZACIVSA-N 2 2 290.411 2.014 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000602010019 346957811 /nfs/dbraw/zinc/95/78/11/346957811.db2.gz AAQNXLIYXMJBQA-DGCLKSJQSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@H+]1C ZINC000602010019 346957814 /nfs/dbraw/zinc/95/78/14/346957814.db2.gz AAQNXLIYXMJBQA-DGCLKSJQSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H](CC#N)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000068610306 343769452 /nfs/dbraw/zinc/76/94/52/343769452.db2.gz IDRYKNFHJRFXKL-MRXNPFEDSA-N 2 2 286.423 2.090 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602541151 347071001 /nfs/dbraw/zinc/07/10/01/347071001.db2.gz VMPYUGABTRPITG-UHFFFAOYSA-N 2 2 270.380 2.083 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000591581810 345266714 /nfs/dbraw/zinc/26/67/14/345266714.db2.gz WLXJLDOVSLBLNE-XDTLVQLUSA-N 2 2 265.307 2.048 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000594955672 345715713 /nfs/dbraw/zinc/71/57/13/345715713.db2.gz ROSHVXIQHIQXCR-XJKSGUPXSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000594955672 345715714 /nfs/dbraw/zinc/71/57/14/345715714.db2.gz ROSHVXIQHIQXCR-XJKSGUPXSA-N 2 2 269.392 2.316 20 30 CEEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549760 345810228 /nfs/dbraw/zinc/81/02/28/345810228.db2.gz MJYHJXHUTVMYIX-YOEHRIQHSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549760 345810232 /nfs/dbraw/zinc/81/02/32/345810232.db2.gz MJYHJXHUTVMYIX-YOEHRIQHSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549760 345810236 /nfs/dbraw/zinc/81/02/36/345810236.db2.gz MJYHJXHUTVMYIX-YOEHRIQHSA-N 2 2 289.423 2.252 20 30 CEEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000595549760 345810239 /nfs/dbraw/zinc/81/02/39/345810239.db2.gz MJYHJXHUTVMYIX-YOEHRIQHSA-N 2 2 289.423 2.252 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000595904877 345910616 /nfs/dbraw/zinc/91/06/16/345910616.db2.gz NLCATCAFOLGNHB-QGZVFWFLSA-N 2 2 287.407 2.101 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000595904877 345910617 /nfs/dbraw/zinc/91/06/17/345910617.db2.gz NLCATCAFOLGNHB-QGZVFWFLSA-N 2 2 287.407 2.101 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000596058825 345930502 /nfs/dbraw/zinc/93/05/02/345930502.db2.gz JSNVJGASIPZETA-CQSZACIVSA-N 2 2 273.380 2.363 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000596058825 345930504 /nfs/dbraw/zinc/93/05/04/345930504.db2.gz JSNVJGASIPZETA-CQSZACIVSA-N 2 2 273.380 2.363 20 30 CEEDLP Cc1cc(NCC2CC[NH+](CC3CC3)CC2)c(C#N)c[nH+]1 ZINC000596563736 346056057 /nfs/dbraw/zinc/05/60/57/346056057.db2.gz UJRHJZQCXRHFBE-UHFFFAOYSA-N 2 2 284.407 2.218 20 30 CEEDLP CCC[N@H+](C)CC(C)(C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000597234583 346157208 /nfs/dbraw/zinc/15/72/08/346157208.db2.gz YQKPFTBGXOOAPA-UHFFFAOYSA-N 2 2 299.422 2.416 20 30 CEEDLP CCC[N@@H+](C)CC(C)(C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000597234583 346157210 /nfs/dbraw/zinc/15/72/10/346157210.db2.gz YQKPFTBGXOOAPA-UHFFFAOYSA-N 2 2 299.422 2.416 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCCCC#N)CC1 ZINC000599668113 346559066 /nfs/dbraw/zinc/55/90/66/346559066.db2.gz CVDVWSSITANEQH-UHFFFAOYSA-N 2 2 279.428 2.257 20 30 CEEDLP Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1C#N ZINC000600710625 346675963 /nfs/dbraw/zinc/67/59/63/346675963.db2.gz PRAPKTPJPXSUMS-WBMJQRKESA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1C#N ZINC000600710625 346675965 /nfs/dbraw/zinc/67/59/65/346675965.db2.gz PRAPKTPJPXSUMS-WBMJQRKESA-N 2 2 257.381 2.426 20 30 CEEDLP C[N@H+](Cc1cccc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602655263 347125651 /nfs/dbraw/zinc/12/56/51/347125651.db2.gz OEDFCMHLDBOGJW-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[N@@H+](Cc1cccc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602655263 347125654 /nfs/dbraw/zinc/12/56/54/347125654.db2.gz OEDFCMHLDBOGJW-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1cccc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602655263 347125657 /nfs/dbraw/zinc/12/56/57/347125657.db2.gz OEDFCMHLDBOGJW-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[NH+](Cc1cccc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602655263 347125661 /nfs/dbraw/zinc/12/56/61/347125661.db2.gz OEDFCMHLDBOGJW-XYPWUTKMSA-N 2 2 270.380 2.010 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878130 347234696 /nfs/dbraw/zinc/23/46/96/347234696.db2.gz VYZGGPBEBPNXOC-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878130 347234699 /nfs/dbraw/zinc/23/46/99/347234699.db2.gz VYZGGPBEBPNXOC-WMLDXEAASA-N 2 2 287.407 2.008 20 30 CEEDLP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157503 347629293 /nfs/dbraw/zinc/62/92/93/347629293.db2.gz XKBQELFSUMVYCA-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157503 347629296 /nfs/dbraw/zinc/62/92/96/347629296.db2.gz XKBQELFSUMVYCA-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP CSCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438159 347779248 /nfs/dbraw/zinc/77/92/48/347779248.db2.gz MZUIGDHETSKGJU-UHFFFAOYSA-N 2 2 289.448 2.475 20 30 CEEDLP CC(C)[C@@H](C#N)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911519 348253743 /nfs/dbraw/zinc/25/37/43/348253743.db2.gz WIFPBVZDMPTGSB-QGZVFWFLSA-N 2 2 292.471 2.028 20 30 CEEDLP CC(C)[C@H](C#N)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000614911518 348253813 /nfs/dbraw/zinc/25/38/13/348253813.db2.gz WIFPBVZDMPTGSB-KRWDZBQOSA-N 2 2 292.471 2.028 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628212137 351007305 /nfs/dbraw/zinc/00/73/05/351007305.db2.gz MQJHYGPYHOVOME-UHFFFAOYSA-N 2 2 282.391 2.370 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629396672 351349367 /nfs/dbraw/zinc/34/93/67/351349367.db2.gz SRXKBXUCFLXXRU-DZGCQCFKSA-N 2 2 260.381 2.482 20 30 CEEDLP C=C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631088617 351957644 /nfs/dbraw/zinc/95/76/44/351957644.db2.gz OZEXKZYUTWBABI-OAHLLOKOSA-N 2 2 290.407 2.062 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151068961 366615938 /nfs/dbraw/zinc/61/59/38/366615938.db2.gz TUHCQWKORIODMX-GOEBONIOSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151068961 366615947 /nfs/dbraw/zinc/61/59/47/366615947.db2.gz TUHCQWKORIODMX-GOEBONIOSA-N 2 2 284.403 2.413 20 30 CEEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000275669444 193100358 /nfs/dbraw/zinc/10/03/58/193100358.db2.gz VMKLGNBINSLIFJ-DOTOQJQBSA-N 2 2 296.374 2.302 20 30 CEEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000275669453 193100816 /nfs/dbraw/zinc/10/08/16/193100816.db2.gz VMKLGNBINSLIFJ-NVXWUHKLSA-N 2 2 296.374 2.302 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245820662 370876737 /nfs/dbraw/zinc/87/67/37/370876737.db2.gz DWQNPBOESZQGBY-LSDHHAIUSA-N 2 2 285.395 2.118 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245820662 370876744 /nfs/dbraw/zinc/87/67/44/370876744.db2.gz DWQNPBOESZQGBY-LSDHHAIUSA-N 2 2 285.395 2.118 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202749 370949842 /nfs/dbraw/zinc/94/98/42/370949842.db2.gz NAAUCACVQRJVIY-GUYCJALGSA-N 2 2 285.391 2.009 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202749 370949848 /nfs/dbraw/zinc/94/98/48/370949848.db2.gz NAAUCACVQRJVIY-GUYCJALGSA-N 2 2 285.391 2.009 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186710500 369025060 /nfs/dbraw/zinc/02/50/60/369025060.db2.gz SJDPJVVBZGVRIN-ZFWWWQNUSA-N 2 2 271.364 2.460 20 30 CEEDLP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000574338232 335012061 /nfs/dbraw/zinc/01/20/61/335012061.db2.gz SXJOIPVWQWOCOG-HOCLYGCPSA-N 2 2 284.407 2.328 20 30 CEEDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000352749667 369866713 /nfs/dbraw/zinc/86/67/13/369866713.db2.gz NQUGOGFZHRBCCV-UHFFFAOYSA-N 2 2 286.404 2.366 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000234974438 370551806 /nfs/dbraw/zinc/55/18/06/370551806.db2.gz IAKDFHLTJAYSDZ-DOMZBBRYSA-N 2 2 273.380 2.126 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000234974438 370551810 /nfs/dbraw/zinc/55/18/10/370551810.db2.gz IAKDFHLTJAYSDZ-DOMZBBRYSA-N 2 2 273.380 2.126 20 30 CEEDLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000234968716 370552662 /nfs/dbraw/zinc/55/26/62/370552662.db2.gz HONHEQNOELQRLX-IUODEOHRSA-N 2 2 273.380 2.269 20 30 CEEDLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1C#N ZINC000234968716 370552666 /nfs/dbraw/zinc/55/26/66/370552666.db2.gz HONHEQNOELQRLX-IUODEOHRSA-N 2 2 273.380 2.269 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248488395 371202044 /nfs/dbraw/zinc/20/20/44/371202044.db2.gz GTKPGHAWOMRMND-DJIMGWMZSA-N 2 2 274.408 2.349 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248488395 371202051 /nfs/dbraw/zinc/20/20/51/371202051.db2.gz GTKPGHAWOMRMND-DJIMGWMZSA-N 2 2 274.408 2.349 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248495923 371202650 /nfs/dbraw/zinc/20/26/50/371202650.db2.gz LCCDMUSFPAUUFU-DJIMGWMZSA-N 2 2 274.408 2.034 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248495923 371202654 /nfs/dbraw/zinc/20/26/54/371202654.db2.gz LCCDMUSFPAUUFU-DJIMGWMZSA-N 2 2 274.408 2.034 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000248814762 371248859 /nfs/dbraw/zinc/24/88/59/371248859.db2.gz DIASQCCYPYGANH-YJBOKZPZSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000248814762 371248863 /nfs/dbraw/zinc/24/88/63/371248863.db2.gz DIASQCCYPYGANH-YJBOKZPZSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000248814762 371248869 /nfs/dbraw/zinc/24/88/69/371248869.db2.gz DIASQCCYPYGANH-YJBOKZPZSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000248814762 371248877 /nfs/dbraw/zinc/24/88/77/371248877.db2.gz DIASQCCYPYGANH-YJBOKZPZSA-N 2 2 298.434 2.345 20 30 CEEDLP CCN(CC)C(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264072373 371962405 /nfs/dbraw/zinc/96/24/05/371962405.db2.gz GNIWYMKHXCYTEU-UHFFFAOYSA-N 2 2 287.411 2.391 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692016 373616902 /nfs/dbraw/zinc/61/69/02/373616902.db2.gz XFPFRJOZQBLOMY-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692016 373616906 /nfs/dbraw/zinc/61/69/06/373616906.db2.gz XFPFRJOZQBLOMY-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692016 373616911 /nfs/dbraw/zinc/61/69/11/373616911.db2.gz XFPFRJOZQBLOMY-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC000272692016 373616915 /nfs/dbraw/zinc/61/69/15/373616915.db2.gz XFPFRJOZQBLOMY-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000286217799 375874662 /nfs/dbraw/zinc/87/46/62/375874662.db2.gz SHGZWDYTMBDHEW-AWEZNQCLSA-N 2 2 286.423 2.067 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000314381017 376772901 /nfs/dbraw/zinc/77/29/01/376772901.db2.gz SZKJISYJIRQYLD-ZWKOTPCHSA-N 2 2 277.371 2.485 20 30 CEEDLP N#Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000314381017 376772907 /nfs/dbraw/zinc/77/29/07/376772907.db2.gz SZKJISYJIRQYLD-ZWKOTPCHSA-N 2 2 277.371 2.485 20 30 CEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329506477 376964872 /nfs/dbraw/zinc/96/48/72/376964872.db2.gz ZPVGRKRWXSCGCD-BPLDGKMQSA-N 2 2 288.395 2.029 20 30 CEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329506477 376964881 /nfs/dbraw/zinc/96/48/81/376964881.db2.gz ZPVGRKRWXSCGCD-BPLDGKMQSA-N 2 2 288.395 2.029 20 30 CEEDLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1C#N ZINC000423131503 377029330 /nfs/dbraw/zinc/02/93/30/377029330.db2.gz ZXRBBNCYQDIBCY-WFASDCNBSA-N 2 2 273.380 2.187 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000435726907 377808659 /nfs/dbraw/zinc/80/86/59/377808659.db2.gz CFLJAPVOYQJRHQ-NYTXWWLZSA-N 2 2 264.413 2.182 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000435726907 377808666 /nfs/dbraw/zinc/80/86/66/377808666.db2.gz CFLJAPVOYQJRHQ-NYTXWWLZSA-N 2 2 264.413 2.182 20 30 CEEDLP C=CC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435681391 377809388 /nfs/dbraw/zinc/80/93/88/377809388.db2.gz IIMOJHGJGLTJOF-AWEZNQCLSA-N 2 2 274.412 2.033 20 30 CEEDLP C=CC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435681391 377809394 /nfs/dbraw/zinc/80/93/94/377809394.db2.gz IIMOJHGJGLTJOF-AWEZNQCLSA-N 2 2 274.412 2.033 20 30 CEEDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574500790 299501072 /nfs/dbraw/zinc/50/10/72/299501072.db2.gz QFURRJDJYIEXBE-INIZCTEOSA-N 2 2 266.348 2.111 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000281826637 195398636 /nfs/dbraw/zinc/39/86/36/195398636.db2.gz XIHJKJBTXAPPKY-IUODEOHRSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000281826637 195398639 /nfs/dbraw/zinc/39/86/39/195398639.db2.gz XIHJKJBTXAPPKY-IUODEOHRSA-N 2 2 285.391 2.282 20 30 CEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328962313 394557887 /nfs/dbraw/zinc/55/78/87/394557887.db2.gz QOKXTQFJZJFMIQ-UONOGXRCSA-N 2 2 290.411 2.276 20 30 CEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328962313 394557891 /nfs/dbraw/zinc/55/78/91/394557891.db2.gz QOKXTQFJZJFMIQ-UONOGXRCSA-N 2 2 290.411 2.276 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000261725803 394606564 /nfs/dbraw/zinc/60/65/64/394606564.db2.gz GROZNFFBMGNXOS-VXGBXAGGSA-N 2 2 294.468 2.198 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000261725803 394606566 /nfs/dbraw/zinc/60/65/66/394606566.db2.gz GROZNFFBMGNXOS-VXGBXAGGSA-N 2 2 294.468 2.198 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000339024526 394937219 /nfs/dbraw/zinc/93/72/19/394937219.db2.gz YADJEHHZORWBAY-GJZGRUSLSA-N 2 2 270.380 2.204 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2c(OC)cccc2OC)CC1 ZINC000286440177 395022532 /nfs/dbraw/zinc/02/25/32/395022532.db2.gz JHBYAMBMHQSLLU-UHFFFAOYSA-N 2 2 290.407 2.444 20 30 CEEDLP C#CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285544345 394958245 /nfs/dbraw/zinc/95/82/45/394958245.db2.gz LULQNUXDXSIDBA-QGZVFWFLSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285544345 394958248 /nfs/dbraw/zinc/95/82/48/394958248.db2.gz LULQNUXDXSIDBA-QGZVFWFLSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285544345 394958252 /nfs/dbraw/zinc/95/82/52/394958252.db2.gz LULQNUXDXSIDBA-QGZVFWFLSA-N 2 2 254.377 2.218 20 30 CEEDLP C#CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285544345 394958256 /nfs/dbraw/zinc/95/82/56/394958256.db2.gz LULQNUXDXSIDBA-QGZVFWFLSA-N 2 2 254.377 2.218 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000347004578 395116246 /nfs/dbraw/zinc/11/62/46/395116246.db2.gz ADSAXFHIRXFSRP-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000347004578 395116250 /nfs/dbraw/zinc/11/62/50/395116250.db2.gz ADSAXFHIRXFSRP-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000290487850 395106084 /nfs/dbraw/zinc/10/60/84/395106084.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000290487850 395106087 /nfs/dbraw/zinc/10/60/87/395106087.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000290487850 395106090 /nfs/dbraw/zinc/10/60/90/395106090.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 2 254.377 2.194 20 30 CEEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000290487850 395106092 /nfs/dbraw/zinc/10/60/92/395106092.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 2 254.377 2.194 20 30 CEEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411427577 395328157 /nfs/dbraw/zinc/32/81/57/395328157.db2.gz OCZAGJLZHOPSTF-UONOGXRCSA-N 2 2 260.385 2.367 20 30 CEEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411427577 395328161 /nfs/dbraw/zinc/32/81/61/395328161.db2.gz OCZAGJLZHOPSTF-UONOGXRCSA-N 2 2 260.385 2.367 20 30 CEEDLP C=CCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000569899638 395580911 /nfs/dbraw/zinc/58/09/11/395580911.db2.gz GMLNRHMDSLDYQA-IAGOWNOFSA-N 2 2 279.472 2.301 20 30 CEEDLP C=CCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000569899638 395580912 /nfs/dbraw/zinc/58/09/12/395580912.db2.gz GMLNRHMDSLDYQA-IAGOWNOFSA-N 2 2 279.472 2.301 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647960969 395786818 /nfs/dbraw/zinc/78/68/18/395786818.db2.gz WKUJJDWORQYLLK-SFHVURJKSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647960969 395786819 /nfs/dbraw/zinc/78/68/19/395786819.db2.gz WKUJJDWORQYLLK-SFHVURJKSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960969 395786822 /nfs/dbraw/zinc/78/68/22/395786822.db2.gz WKUJJDWORQYLLK-SFHVURJKSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960969 395786825 /nfs/dbraw/zinc/78/68/25/395786825.db2.gz WKUJJDWORQYLLK-SFHVURJKSA-N 2 2 290.451 2.418 20 30 CEEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(OC)CC2)C1 ZINC000651753119 401383873 /nfs/dbraw/zinc/38/38/73/401383873.db2.gz DSQUTHNTFZUEAA-LSDHHAIUSA-N 2 2 266.429 2.432 20 30 CEEDLP Cn1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000189581755 153097616 /nfs/dbraw/zinc/09/76/16/153097616.db2.gz VJQJOXBMBQADGP-UHFFFAOYSA-N 2 2 295.390 2.050 20 30 CEEDLP N#Cc1cccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000367587111 156208108 /nfs/dbraw/zinc/20/81/08/156208108.db2.gz HSAXGILMZLVIQU-QGZVFWFLSA-N 2 2 296.374 2.218 20 30 CEEDLP N#Cc1cccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000367587111 156208109 /nfs/dbraw/zinc/20/81/09/156208109.db2.gz HSAXGILMZLVIQU-QGZVFWFLSA-N 2 2 296.374 2.218 20 30 CEEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000190091581 262179126 /nfs/dbraw/zinc/17/91/26/262179126.db2.gz UIMLZRLIFLWDLS-UHFFFAOYSA-N 2 2 283.322 2.088 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000339024524 262585077 /nfs/dbraw/zinc/58/50/77/262585077.db2.gz YADJEHHZORWBAY-CABCVRRESA-N 2 2 270.380 2.204 20 30 CEEDLP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970590 262758976 /nfs/dbraw/zinc/75/89/76/262758976.db2.gz MOWQRQFQLLPIRH-BFHYXJOUSA-N 2 2 289.427 2.140 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000340478925 263167357 /nfs/dbraw/zinc/16/73/57/263167357.db2.gz MVWUGWRTODNCFH-MRXNPFEDSA-N 2 2 276.428 2.148 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc(OC)c1O ZINC000415048813 263258034 /nfs/dbraw/zinc/25/80/34/263258034.db2.gz XKWLQLCTLAWHBI-HNNXBMFYSA-N 2 2 290.407 2.359 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368219340 267153076 /nfs/dbraw/zinc/15/30/76/267153076.db2.gz BVNARUBNFXGYGD-CQSZACIVSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368219340 267153077 /nfs/dbraw/zinc/15/30/77/267153077.db2.gz BVNARUBNFXGYGD-CQSZACIVSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000378187186 329042792 /nfs/dbraw/zinc/04/27/92/329042792.db2.gz ZCTFJHDDRKLXFJ-AWEZNQCLSA-N 2 2 257.381 2.047 20 30 CEEDLP C=CCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175484506 329168796 /nfs/dbraw/zinc/16/87/96/329168796.db2.gz JABJDBIAWPHOEB-UHFFFAOYSA-N 2 2 293.455 2.018 20 30 CEEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000184090596 329256151 /nfs/dbraw/zinc/25/61/51/329256151.db2.gz NPDWRTOIYVTADG-OAHLLOKOSA-N 2 2 272.396 2.328 20 30 CEEDLP CCc1[nH+]c2cc(CNC3=[NH+]C[C@H](C)N3)ccc2n1C1CC1 ZINC000262682542 330026704 /nfs/dbraw/zinc/02/67/04/330026704.db2.gz WWYASXFEYYHMKL-NSHDSACASA-N 2 2 297.406 2.371 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449121458 330900134 /nfs/dbraw/zinc/90/01/34/330900134.db2.gz HTDSUHZZKJUCHR-OAHLLOKOSA-N 2 2 264.413 2.328 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000491675794 332281426 /nfs/dbraw/zinc/28/14/26/332281426.db2.gz XVGNNYVRGNDTSJ-GOSISDBHSA-N 2 2 294.402 2.111 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000491675794 332281427 /nfs/dbraw/zinc/28/14/27/332281427.db2.gz XVGNNYVRGNDTSJ-GOSISDBHSA-N 2 2 294.402 2.111 20 30 CEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000363383739 526622484 /nfs/dbraw/zinc/62/24/84/526622484.db2.gz ACUUFYTXNJKNAB-ZWKOTPCHSA-N 2 2 299.418 2.149 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329180222 528985745 /nfs/dbraw/zinc/98/57/45/528985745.db2.gz OEKOOCVWIWMVFW-ZDUSSCGKSA-N 2 2 290.411 2.344 20 30 CEEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329180222 528985749 /nfs/dbraw/zinc/98/57/49/528985749.db2.gz OEKOOCVWIWMVFW-ZDUSSCGKSA-N 2 2 290.411 2.344 20 30 CEEDLP C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000745261313 575135698 /nfs/dbraw/zinc/13/56/98/575135698.db2.gz RVOFGUPIYCEKGI-GOSISDBHSA-N 2 2 299.418 2.003 20 30 CEEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000745261313 575135699 /nfs/dbraw/zinc/13/56/99/575135699.db2.gz RVOFGUPIYCEKGI-GOSISDBHSA-N 2 2 299.418 2.003 20 30 CEEDLP C=CCC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981454077 613497240 /nfs/dbraw/zinc/49/72/40/613497240.db2.gz LGQUUONXEHOHGD-UHFFFAOYSA-N 2 2 298.390 2.287 20 30 CEEDLP C=CCC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981454077 613497241 /nfs/dbraw/zinc/49/72/41/613497241.db2.gz LGQUUONXEHOHGD-UHFFFAOYSA-N 2 2 298.390 2.287 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000677133081 624031261 /nfs/dbraw/zinc/03/12/61/624031261.db2.gz GMDCRZQADSCMST-SJORKVTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000677133081 624031267 /nfs/dbraw/zinc/03/12/67/624031267.db2.gz GMDCRZQADSCMST-SJORKVTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000677133081 624031272 /nfs/dbraw/zinc/03/12/72/624031272.db2.gz GMDCRZQADSCMST-SJORKVTESA-N 2 2 278.440 2.223 20 30 CEEDLP COCC#CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000677133081 624031277 /nfs/dbraw/zinc/03/12/77/624031277.db2.gz GMDCRZQADSCMST-SJORKVTESA-N 2 2 278.440 2.223 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926490642 624925555 /nfs/dbraw/zinc/92/55/55/624925555.db2.gz PSLVLWTVBKLAOH-UHFFFAOYSA-N 3 2 279.472 2.042 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926490642 624925558 /nfs/dbraw/zinc/92/55/58/624925558.db2.gz PSLVLWTVBKLAOH-UHFFFAOYSA-N 3 2 279.472 2.042 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Br)o1 ZINC000328197723 627867498 /nfs/dbraw/zinc/86/74/98/627867498.db2.gz SAYVWFNBLHKFCU-UHFFFAOYSA-N 2 2 285.185 2.087 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)o1 ZINC000328197723 627867500 /nfs/dbraw/zinc/86/75/00/627867500.db2.gz SAYVWFNBLHKFCU-UHFFFAOYSA-N 2 2 285.185 2.087 20 30 CEEDLP C#CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CSC1 ZINC000895814313 630359853 /nfs/dbraw/zinc/35/98/53/630359853.db2.gz PZCFEQIMAMSYAP-UHFFFAOYSA-N 2 2 289.429 2.484 20 30 CEEDLP C#CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CSC1 ZINC000895814313 630359855 /nfs/dbraw/zinc/35/98/55/630359855.db2.gz PZCFEQIMAMSYAP-UHFFFAOYSA-N 2 2 289.429 2.484 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000303879739 631092282 /nfs/dbraw/zinc/09/22/82/631092282.db2.gz JUYBLVUKTKTTEQ-HNNXBMFYSA-N 2 2 276.428 2.302 20 30 CEEDLP C=CC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000985494877 631107413 /nfs/dbraw/zinc/10/74/13/631107413.db2.gz JJORYBRGSDTQFZ-UHFFFAOYSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000985494877 631107415 /nfs/dbraw/zinc/10/74/15/631107415.db2.gz JJORYBRGSDTQFZ-UHFFFAOYSA-N 2 2 298.390 2.285 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000815652302 633044157 /nfs/dbraw/zinc/04/41/57/633044157.db2.gz XEYKZPBEESDXSL-LLVKDONJSA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000815652302 633044161 /nfs/dbraw/zinc/04/41/61/633044161.db2.gz XEYKZPBEESDXSL-LLVKDONJSA-N 2 2 251.399 2.057 20 30 CEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C#N)ccn1 ZINC000903009902 634937833 /nfs/dbraw/zinc/93/78/33/634937833.db2.gz GCFAEXRVPHGCSP-JZIBPQBNSA-N 2 2 270.380 2.229 20 30 CEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C#N)ccn1 ZINC000903009902 634937834 /nfs/dbraw/zinc/93/78/34/634937834.db2.gz GCFAEXRVPHGCSP-JZIBPQBNSA-N 2 2 270.380 2.229 20 30 CEEDLP Cc1cccn2cc(CCNC(=[NH2+])N3CCCCCC3)[nH+]c12 ZINC000126054898 650358777 /nfs/dbraw/zinc/35/87/77/650358777.db2.gz PBRXQPMYZJJAPO-UHFFFAOYSA-N 2 2 299.422 2.376 20 30 CEEDLP CO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915958032 640708015 /nfs/dbraw/zinc/70/80/15/640708015.db2.gz IMMDRAUZOZAYIB-UHFFFAOYSA-N 2 2 267.760 2.072 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000863547699 646753923 /nfs/dbraw/zinc/75/39/23/646753923.db2.gz RQRUANXIJSFCFH-IPYPFGDCSA-N 2 2 273.380 2.380 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130353 651386979 /nfs/dbraw/zinc/38/69/79/651386979.db2.gz FTDQPALVVCQSGU-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1ccc(C#N)cc1 ZINC000880130353 651386981 /nfs/dbraw/zinc/38/69/81/651386981.db2.gz FTDQPALVVCQSGU-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130353 651386983 /nfs/dbraw/zinc/38/69/83/651386983.db2.gz FTDQPALVVCQSGU-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCOc1ccc(C#N)cc1 ZINC000880130353 651386985 /nfs/dbraw/zinc/38/69/85/651386985.db2.gz FTDQPALVVCQSGU-ZWKOTPCHSA-N 2 2 299.418 2.496 20 30 CEEDLP CCCCCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349742 802727830 /nfs/dbraw/zinc/72/78/30/802727830.db2.gz FHUNLLXLDFJDQN-UHFFFAOYSA-N 2 2 280.416 2.019 20 30 CEEDLP C#CC[C@@H](CCOC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001118884358 815052370 /nfs/dbraw/zinc/05/23/70/815052370.db2.gz WHUWTFOCVQMOOM-ZDUSSCGKSA-N 2 2 289.404 2.452 20 30 CEEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524967 815191718 /nfs/dbraw/zinc/19/17/18/815191718.db2.gz BQLMBPIIPHQVQP-CYBMUJFWSA-N 2 2 298.390 2.074 20 30 CEEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001036114577 809859363 /nfs/dbraw/zinc/85/93/63/809859363.db2.gz FFVKGSQNLUNVDW-BBRMVZONSA-N 2 2 299.418 2.080 20 30 CEEDLP COCCC[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001172250548 815357681 /nfs/dbraw/zinc/35/76/81/815357681.db2.gz WAEVMMDSRUCKJD-UHFFFAOYSA-N 2 2 279.428 2.303 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136035308 813590775 /nfs/dbraw/zinc/59/07/75/813590775.db2.gz MTDCALQEUQKXES-CHWSQXEVSA-N 2 2 292.427 2.100 20 30 CEEDLP C=CCCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146473947 814290607 /nfs/dbraw/zinc/29/06/07/814290607.db2.gz NHAKBWLXOSONOL-UHFFFAOYSA-N 2 2 298.390 2.158 20 30 CEEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174588871 816038776 /nfs/dbraw/zinc/03/87/76/816038776.db2.gz STWAVZRKFPPXFM-HNNXBMFYSA-N 2 2 292.427 2.114 20 30 CEEDLP CCCCCCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174692048 816065096 /nfs/dbraw/zinc/06/50/96/816065096.db2.gz RDNWXEYBVGYYKL-UHFFFAOYSA-N 2 2 294.443 2.327 20 30 CEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346348 816722465 /nfs/dbraw/zinc/72/24/65/816722465.db2.gz PGIYDFWFWAWZSK-UHFFFAOYSA-N 2 2 292.427 2.185 20 30 CEEDLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1C#N ZINC000601327952 346822054 /nfs/dbraw/zinc/82/20/54/346822054.db2.gz ASOQCSBFLOWJAA-CVEARBPZSA-N 2 2 255.365 2.098 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063323 362016621 /nfs/dbraw/zinc/01/66/21/362016621.db2.gz MAOKOUFMGXMIGK-UHFFFAOYSA-N 2 2 257.337 2.238 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718552 345011572 /nfs/dbraw/zinc/01/15/72/345011572.db2.gz KYNGPQGWZLCRPY-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718552 345011574 /nfs/dbraw/zinc/01/15/74/345011574.db2.gz KYNGPQGWZLCRPY-GOSISDBHSA-N 2 2 299.418 2.245 20 30 CEEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573256 345265384 /nfs/dbraw/zinc/26/53/84/345265384.db2.gz BQTPWFVGJBPOIH-IINYFYTJSA-N 2 2 263.772 2.299 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+]Cc3nc(C#N)cs3)cn21 ZINC000592378917 345348191 /nfs/dbraw/zinc/34/81/91/345348191.db2.gz GLYOORDTAAWMNM-UHFFFAOYSA-N 2 2 297.387 2.303 20 30 CEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152901 345331275 /nfs/dbraw/zinc/33/12/75/345331275.db2.gz GMAFTFBBFNUFTP-KRWDZBQOSA-N 2 2 296.374 2.031 20 30 CEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152901 345331276 /nfs/dbraw/zinc/33/12/76/345331276.db2.gz GMAFTFBBFNUFTP-KRWDZBQOSA-N 2 2 296.374 2.031 20 30 CEEDLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000592985031 345419165 /nfs/dbraw/zinc/41/91/65/345419165.db2.gz HTMJWJOYZAYQQN-HNNXBMFYSA-N 2 2 257.381 2.426 20 30 CEEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C#N)cc2F)n1C ZINC000594919946 345701724 /nfs/dbraw/zinc/70/17/24/345701724.db2.gz KRSKNNWFMUIRFG-UHFFFAOYSA-N 2 2 258.300 2.029 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595905926 345910930 /nfs/dbraw/zinc/91/09/30/345910930.db2.gz YEUNWHPLRWOXHB-QGZVFWFLSA-N 2 2 287.407 2.101 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595905926 345910932 /nfs/dbraw/zinc/91/09/32/345910932.db2.gz YEUNWHPLRWOXHB-QGZVFWFLSA-N 2 2 287.407 2.101 20 30 CEEDLP N#Cc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000179454062 232393553 /nfs/dbraw/zinc/39/35/53/232393553.db2.gz GUEAFZMRQAJLSS-UHFFFAOYSA-N 2 2 266.348 2.419 20 30 CEEDLP N#Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000179454062 232393555 /nfs/dbraw/zinc/39/35/55/232393555.db2.gz GUEAFZMRQAJLSS-UHFFFAOYSA-N 2 2 266.348 2.419 20 30 CEEDLP C[C@@H](CCC#N)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000602592044 347091381 /nfs/dbraw/zinc/09/13/81/347091381.db2.gz GZYLDMGNPMZDOC-ZDUSSCGKSA-N 2 2 256.353 2.406 20 30 CEEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000599084042 346457809 /nfs/dbraw/zinc/45/78/09/346457809.db2.gz OWARVSDNNSGZNQ-HOTGVXAUSA-N 2 2 291.439 2.255 20 30 CEEDLP N#CCc1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000599678752 346562411 /nfs/dbraw/zinc/56/24/11/346562411.db2.gz XZRJSQTUYMULFB-UHFFFAOYSA-N 2 2 280.375 2.398 20 30 CEEDLP N#CCc1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000599678752 346562413 /nfs/dbraw/zinc/56/24/13/346562413.db2.gz XZRJSQTUYMULFB-UHFFFAOYSA-N 2 2 280.375 2.398 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C#N ZINC000600709568 346675103 /nfs/dbraw/zinc/67/51/03/346675103.db2.gz LAVLDXQQHBJHGG-JKSUJKDBSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C#N ZINC000600709568 346675106 /nfs/dbraw/zinc/67/51/06/346675106.db2.gz LAVLDXQQHBJHGG-JKSUJKDBSA-N 2 2 255.365 2.180 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000600730410 346680216 /nfs/dbraw/zinc/68/02/16/346680216.db2.gz FYSDPEPLKJEZOX-OAHLLOKOSA-N 2 2 296.374 2.017 20 30 CEEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728776 /nfs/dbraw/zinc/72/87/76/347728776.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728778 /nfs/dbraw/zinc/72/87/78/347728778.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728780 /nfs/dbraw/zinc/72/87/80/347728780.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728781 /nfs/dbraw/zinc/72/87/81/347728781.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 2 284.407 2.117 20 30 CEEDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748958 349232345 /nfs/dbraw/zinc/23/23/45/349232345.db2.gz ZLRQYUPXORWABM-IINYFYTJSA-N 2 2 263.772 2.251 20 30 CEEDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748958 349232347 /nfs/dbraw/zinc/23/23/47/349232347.db2.gz ZLRQYUPXORWABM-IINYFYTJSA-N 2 2 263.772 2.251 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623407427 350011412 /nfs/dbraw/zinc/01/14/12/350011412.db2.gz DOOLPXHZWKRHBI-UHFFFAOYSA-N 2 2 270.380 2.303 20 30 CEEDLP C=C(Cl)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918520 186088647 /nfs/dbraw/zinc/08/86/47/186088647.db2.gz XNWLGORQANURGM-UHFFFAOYSA-N 2 2 253.777 2.427 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123418892 187090619 /nfs/dbraw/zinc/09/06/19/187090619.db2.gz WRHFVWZPCAHATD-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123418892 187090620 /nfs/dbraw/zinc/09/06/20/187090620.db2.gz WRHFVWZPCAHATD-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418892 187090621 /nfs/dbraw/zinc/09/06/21/187090621.db2.gz WRHFVWZPCAHATD-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418892 187090622 /nfs/dbraw/zinc/09/06/22/187090622.db2.gz WRHFVWZPCAHATD-CJNGLKHVSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674246 212394640 /nfs/dbraw/zinc/39/46/40/212394640.db2.gz YUWTZFVHCRKWSS-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C#N)cs1 ZINC000335674246 212394642 /nfs/dbraw/zinc/39/46/42/212394642.db2.gz YUWTZFVHCRKWSS-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C#N)cs1 ZINC000335674246 212394644 /nfs/dbraw/zinc/39/46/44/212394644.db2.gz YUWTZFVHCRKWSS-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C#N)cs1 ZINC000335674246 212394645 /nfs/dbraw/zinc/39/46/45/212394645.db2.gz YUWTZFVHCRKWSS-SMDDNHRTSA-N 2 2 263.410 2.392 20 30 CEEDLP C=CCCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000117881631 365130254 /nfs/dbraw/zinc/13/02/54/365130254.db2.gz ALCYCUIJCHEXJP-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CCCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000117881631 365130257 /nfs/dbraw/zinc/13/02/57/365130257.db2.gz ALCYCUIJCHEXJP-CQSZACIVSA-N 2 2 252.402 2.138 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631579421 367415709 /nfs/dbraw/zinc/41/57/09/367415709.db2.gz GDLYSFJUUUVQEE-JYJNAYRXSA-N 2 2 276.424 2.184 20 30 CEEDLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000174317751 368011129 /nfs/dbraw/zinc/01/11/29/368011129.db2.gz SPZYHDOFPYPDHM-CYBMUJFWSA-N 2 2 284.363 2.189 20 30 CEEDLP COCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181391825 368449931 /nfs/dbraw/zinc/44/99/31/368449931.db2.gz OPZLDOSKDCIIHR-UHFFFAOYSA-N 2 2 287.407 2.149 20 30 CEEDLP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000682533880 541678116 /nfs/dbraw/zinc/67/81/16/541678116.db2.gz ILVHCBXLQAIMLZ-GDBMZVCRSA-N 2 2 259.397 2.458 20 30 CEEDLP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000682533880 541678118 /nfs/dbraw/zinc/67/81/18/541678118.db2.gz ILVHCBXLQAIMLZ-GDBMZVCRSA-N 2 2 259.397 2.458 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675099 368481452 /nfs/dbraw/zinc/48/14/52/368481452.db2.gz GZYBBELSWOIRAX-RHSMWYFYSA-N 2 2 287.407 2.320 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675099 368481457 /nfs/dbraw/zinc/48/14/57/368481457.db2.gz GZYBBELSWOIRAX-RHSMWYFYSA-N 2 2 287.407 2.320 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000634734388 368846294 /nfs/dbraw/zinc/84/62/94/368846294.db2.gz DYOIEKQKYUGEIG-WBVHZDCISA-N 2 2 272.392 2.483 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186691204 369021464 /nfs/dbraw/zinc/02/14/64/369021464.db2.gz NOTORWOLNVQAAS-IRXDYDNUSA-N 2 2 274.408 2.178 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186691204 369021470 /nfs/dbraw/zinc/02/14/70/369021470.db2.gz NOTORWOLNVQAAS-IRXDYDNUSA-N 2 2 274.408 2.178 20 30 CEEDLP C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000192037979 369766995 /nfs/dbraw/zinc/76/69/95/369766995.db2.gz HUZWKOHVDIOOAK-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000192037979 369766999 /nfs/dbraw/zinc/76/69/99/369766999.db2.gz HUZWKOHVDIOOAK-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP C[NH+](CC#Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000192037979 369767002 /nfs/dbraw/zinc/76/70/02/369767002.db2.gz HUZWKOHVDIOOAK-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP C[NH+](CC#Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192037979 369767005 /nfs/dbraw/zinc/76/70/05/369767005.db2.gz HUZWKOHVDIOOAK-KRWDZBQOSA-N 2 2 256.393 2.312 20 30 CEEDLP N#Cc1csc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000352831538 369902227 /nfs/dbraw/zinc/90/22/27/369902227.db2.gz DUEIBWJPYPBEMJ-UHFFFAOYSA-N 2 2 295.371 2.490 20 30 CEEDLP C[NH+](C)CC1(C[NH2+]Cc2nc(C#N)cs2)CCCC1 ZINC000352862911 369919972 /nfs/dbraw/zinc/91/99/72/369919972.db2.gz QQXKDMADHOHDIH-UHFFFAOYSA-N 2 2 278.425 2.226 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000358739588 371199678 /nfs/dbraw/zinc/19/96/78/371199678.db2.gz BVFQYPCTUKGRNR-HNNXBMFYSA-N 2 2 274.412 2.038 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000248909820 371268372 /nfs/dbraw/zinc/26/83/72/371268372.db2.gz XTPJZKBDLXUSFF-CZUORRHYSA-N 2 2 283.379 2.176 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000248909820 371268376 /nfs/dbraw/zinc/26/83/76/371268376.db2.gz XTPJZKBDLXUSFF-CZUORRHYSA-N 2 2 283.379 2.176 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000361572215 371937139 /nfs/dbraw/zinc/93/71/39/371937139.db2.gz RATWXNBFXNIYHX-HNNXBMFYSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000361572215 371937145 /nfs/dbraw/zinc/93/71/45/371937145.db2.gz RATWXNBFXNIYHX-HNNXBMFYSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000361572215 371937151 /nfs/dbraw/zinc/93/71/51/371937151.db2.gz RATWXNBFXNIYHX-HNNXBMFYSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000361572215 371937155 /nfs/dbraw/zinc/93/71/55/371937155.db2.gz RATWXNBFXNIYHX-HNNXBMFYSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000361572216 371937222 /nfs/dbraw/zinc/93/72/22/371937222.db2.gz RATWXNBFXNIYHX-OAHLLOKOSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000361572216 371937226 /nfs/dbraw/zinc/93/72/26/371937226.db2.gz RATWXNBFXNIYHX-OAHLLOKOSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000361572216 371937230 /nfs/dbraw/zinc/93/72/30/371937230.db2.gz RATWXNBFXNIYHX-OAHLLOKOSA-N 2 2 286.423 2.060 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000361572216 371937235 /nfs/dbraw/zinc/93/72/35/371937235.db2.gz RATWXNBFXNIYHX-OAHLLOKOSA-N 2 2 286.423 2.060 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])NCC(C)C ZINC000264077768 371963763 /nfs/dbraw/zinc/96/37/63/371963763.db2.gz HVADOFBLNLTSGI-UHFFFAOYSA-N 2 2 287.411 2.295 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264094997 371969224 /nfs/dbraw/zinc/96/92/24/371969224.db2.gz LUQOMHMBHVXGQR-SMDDNHRTSA-N 2 2 280.391 2.131 20 30 CEEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccco1 ZINC000264121726 371973656 /nfs/dbraw/zinc/97/36/56/371973656.db2.gz VGDDELNBBUPBTD-LBPRGKRZSA-N 2 2 280.416 2.365 20 30 CEEDLP C=CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361742213 372048587 /nfs/dbraw/zinc/04/85/87/372048587.db2.gz DKWUBOVRRNBZLV-UHFFFAOYSA-N 2 2 299.418 2.315 20 30 CEEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000268657984 372170681 /nfs/dbraw/zinc/17/06/81/372170681.db2.gz HSVXYVJSZGIGKG-QGZVFWFLSA-N 2 2 296.374 2.125 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684377257 541988217 /nfs/dbraw/zinc/98/82/17/541988217.db2.gz SQJBJJFNDCJKKP-LSDHHAIUSA-N 2 2 252.402 2.184 20 30 CEEDLP CC(=O)NC1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329798865 377014895 /nfs/dbraw/zinc/01/48/95/377014895.db2.gz XPYSCQYUXIRNLB-BPCQOVAHSA-N 2 2 276.384 2.144 20 30 CEEDLP CC(=O)NC1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329798865 377014902 /nfs/dbraw/zinc/01/49/02/377014902.db2.gz XPYSCQYUXIRNLB-BPCQOVAHSA-N 2 2 276.384 2.144 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000294965821 378032822 /nfs/dbraw/zinc/03/28/22/378032822.db2.gz JOYFPEVZFUOUJR-CQSZACIVSA-N 2 2 290.407 2.310 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000294965821 378032825 /nfs/dbraw/zinc/03/28/25/378032825.db2.gz JOYFPEVZFUOUJR-CQSZACIVSA-N 2 2 290.407 2.310 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737903 378225371 /nfs/dbraw/zinc/22/53/71/378225371.db2.gz VROJEQNQSKVZJZ-MEDUHNTESA-N 2 2 273.355 2.270 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737903 378225375 /nfs/dbraw/zinc/22/53/75/378225375.db2.gz VROJEQNQSKVZJZ-MEDUHNTESA-N 2 2 273.355 2.270 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258587 378843575 /nfs/dbraw/zinc/84/35/75/378843575.db2.gz HWJWBKBVPHPVPX-YOEHRIQHSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C#N)cc1 ZINC000453258587 378843582 /nfs/dbraw/zinc/84/35/82/378843582.db2.gz HWJWBKBVPHPVPX-YOEHRIQHSA-N 2 2 287.407 2.056 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000548307112 380497882 /nfs/dbraw/zinc/49/78/82/380497882.db2.gz YDGDQFSQPOQQNT-SWLSCSKDSA-N 2 2 266.348 2.420 20 30 CEEDLP C=CCOCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000555418646 380826901 /nfs/dbraw/zinc/82/69/01/380826901.db2.gz XLDGXDGBBHXWLT-UHFFFAOYSA-N 2 2 261.369 2.161 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000335328659 208201797 /nfs/dbraw/zinc/20/17/97/208201797.db2.gz ZRXQKNTWWPARAT-FZMZJTMJSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000335328659 208201802 /nfs/dbraw/zinc/20/18/02/208201802.db2.gz ZRXQKNTWWPARAT-FZMZJTMJSA-N 2 2 266.348 2.489 20 30 CEEDLP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261954562 394610115 /nfs/dbraw/zinc/61/01/15/394610115.db2.gz IJHVOHLAVQRISM-BYNSBNAKSA-N 2 2 289.427 2.140 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC#N)cc1 ZINC000271743030 394763320 /nfs/dbraw/zinc/76/33/20/394763320.db2.gz WTVBGFCJXDUHJQ-UHFFFAOYSA-N 2 2 284.363 2.308 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC#N)cc1 ZINC000271743030 394763323 /nfs/dbraw/zinc/76/33/23/394763323.db2.gz WTVBGFCJXDUHJQ-UHFFFAOYSA-N 2 2 284.363 2.308 20 30 CEEDLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1C#N ZINC000414939643 394813156 /nfs/dbraw/zinc/81/31/56/394813156.db2.gz ZVKNYEUAGJMTDP-MRXNPFEDSA-N 2 2 287.407 2.435 20 30 CEEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361115746 394816685 /nfs/dbraw/zinc/81/66/85/394816685.db2.gz AEMMHBLCQRZEMF-CQSZACIVSA-N 2 2 282.428 2.348 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000368028288 394975439 /nfs/dbraw/zinc/97/54/39/394975439.db2.gz CMFMDSHPMHDACD-ZWKOTPCHSA-N 2 2 284.403 2.011 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000368028288 394975443 /nfs/dbraw/zinc/97/54/43/394975443.db2.gz CMFMDSHPMHDACD-ZWKOTPCHSA-N 2 2 284.403 2.011 20 30 CEEDLP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)c(C#N)c[nH+]1 ZINC000425226799 395052936 /nfs/dbraw/zinc/05/29/36/395052936.db2.gz IMMAMQGLDWOYPN-GFCCVEGCSA-N 2 2 260.385 2.072 20 30 CEEDLP CC#CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372523210 395043010 /nfs/dbraw/zinc/04/30/10/395043010.db2.gz BAJMZXOKICAMDH-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP CC#CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372523210 395043013 /nfs/dbraw/zinc/04/30/13/395043013.db2.gz BAJMZXOKICAMDH-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372523210 395043017 /nfs/dbraw/zinc/04/30/17/395043017.db2.gz BAJMZXOKICAMDH-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372523210 395043022 /nfs/dbraw/zinc/04/30/22/395043022.db2.gz BAJMZXOKICAMDH-HOTGVXAUSA-N 2 2 257.381 2.030 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000349341203 395165716 /nfs/dbraw/zinc/16/57/16/395165716.db2.gz JWWNFSHEBDFMPQ-WBVHZDCISA-N 2 2 284.407 2.328 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)CCC2 ZINC000442778596 395395098 /nfs/dbraw/zinc/39/50/98/395395098.db2.gz HEWLYAVCQNNBGR-RDBSUJKOSA-N 2 2 258.369 2.351 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(OC)c1O ZINC000113328481 400276221 /nfs/dbraw/zinc/27/62/21/400276221.db2.gz HWMAIEZSKRGXLO-HNNXBMFYSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CCc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc(OC)c1O ZINC000113328481 400276223 /nfs/dbraw/zinc/27/62/23/400276223.db2.gz HWMAIEZSKRGXLO-HNNXBMFYSA-N 2 2 290.407 2.313 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651700902 401374279 /nfs/dbraw/zinc/37/42/79/401374279.db2.gz YQHUXZWFQYIXDC-UHFFFAOYSA-N 2 2 297.406 2.007 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000191448967 153172881 /nfs/dbraw/zinc/17/28/81/153172881.db2.gz DIASQCCYPYGANH-CRAIPNDOSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000191448967 153172885 /nfs/dbraw/zinc/17/28/85/153172885.db2.gz DIASQCCYPYGANH-CRAIPNDOSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000191448967 153172889 /nfs/dbraw/zinc/17/28/89/153172889.db2.gz DIASQCCYPYGANH-CRAIPNDOSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000191448967 153172895 /nfs/dbraw/zinc/17/28/95/153172895.db2.gz DIASQCCYPYGANH-CRAIPNDOSA-N 2 2 298.434 2.345 20 30 CEEDLP N#Cc1cccc(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000179417774 165279878 /nfs/dbraw/zinc/27/98/78/165279878.db2.gz GTQQLJBUCRUODH-UHFFFAOYSA-N 2 2 262.316 2.496 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657875673 415110177 /nfs/dbraw/zinc/11/01/77/415110177.db2.gz OACOXWGBDXGTMG-OAHLLOKOSA-N 2 2 274.412 2.348 20 30 CEEDLP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000185790572 262071659 /nfs/dbraw/zinc/07/16/59/262071659.db2.gz VEZSAJOTMAMSJJ-GJZGRUSLSA-N 2 2 299.422 2.328 20 30 CEEDLP CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000365431227 262365244 /nfs/dbraw/zinc/36/52/44/262365244.db2.gz HMGVBSOAVVAWFL-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(C#N)CCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000365431227 262365246 /nfs/dbraw/zinc/36/52/46/262365246.db2.gz HMGVBSOAVVAWFL-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP CCCNC(=[NH+]CC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261954600 262758430 /nfs/dbraw/zinc/75/84/30/262758430.db2.gz IKKSPDCPNDKTRH-ZIAGYGMSSA-N 2 2 277.416 2.142 20 30 CEEDLP CC[NH+]=C(NC1CCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019293 328143716 /nfs/dbraw/zinc/14/37/16/328143716.db2.gz YLSVSJPJFYQRNE-DZGCQCFKSA-N 2 2 289.427 2.284 20 30 CEEDLP CC[NH+]=C(NC1CCC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019300 328143845 /nfs/dbraw/zinc/14/38/45/328143845.db2.gz YLSVSJPJFYQRNE-UKRRQHHQSA-N 2 2 289.427 2.284 20 30 CEEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCC1 ZINC000262170194 328146170 /nfs/dbraw/zinc/14/61/70/328146170.db2.gz VBPNCEUJFFDHRP-CQSZACIVSA-N 2 2 290.411 2.088 20 30 CEEDLP COCCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267002700 328171237 /nfs/dbraw/zinc/17/12/37/328171237.db2.gz IFZDFSBMSMAHDX-UHFFFAOYSA-N 2 2 293.411 2.202 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414935087 328275510 /nfs/dbraw/zinc/27/55/10/328275510.db2.gz CAGHVIVRKFOBOB-CJNGLKHVSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC000283736158 328515454 /nfs/dbraw/zinc/51/54/54/328515454.db2.gz INGXCBMWGBWXAP-UHFFFAOYSA-N 2 2 260.385 2.410 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)COC)C(C)C ZINC000268857523 330066660 /nfs/dbraw/zinc/06/66/60/330066660.db2.gz XZIPQEAWNPKJKY-GJZGRUSLSA-N 2 2 254.418 2.310 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000045946432 330350110 /nfs/dbraw/zinc/35/01/10/330350110.db2.gz MRNRAPWKIFXJCL-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000045946432 330350111 /nfs/dbraw/zinc/35/01/11/330350111.db2.gz MRNRAPWKIFXJCL-INIZCTEOSA-N 2 2 272.392 2.273 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453256989 331108217 /nfs/dbraw/zinc/10/82/17/331108217.db2.gz GSHYROCEXBLUKG-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453256989 331108218 /nfs/dbraw/zinc/10/82/18/331108218.db2.gz GSHYROCEXBLUKG-JKSUJKDBSA-N 2 2 266.429 2.168 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ncccc1CC ZINC000491210310 332166922 /nfs/dbraw/zinc/16/69/22/332166922.db2.gz SCTMMYUCCKIHPW-CQSZACIVSA-N 2 2 259.397 2.250 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ncccc1CC ZINC000491210310 332166923 /nfs/dbraw/zinc/16/69/23/332166923.db2.gz SCTMMYUCCKIHPW-CQSZACIVSA-N 2 2 259.397 2.250 20 30 CEEDLP C#CC[NH+]1CCC(c2nc(Cc3ccc[nH+]c3C)no2)CC1 ZINC000491426000 332209218 /nfs/dbraw/zinc/20/92/18/332209218.db2.gz DFJCETAEJKHIOZ-UHFFFAOYSA-N 2 2 296.374 2.176 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000491804538 332358502 /nfs/dbraw/zinc/35/85/02/332358502.db2.gz LTQGOVZILHZOSY-INIZCTEOSA-N 2 2 277.387 2.463 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000491804538 332358503 /nfs/dbraw/zinc/35/85/03/332358503.db2.gz LTQGOVZILHZOSY-INIZCTEOSA-N 2 2 277.387 2.463 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000247950150 334292161 /nfs/dbraw/zinc/29/21/61/334292161.db2.gz DYZCVTCSYVRBNC-DOTOQJQBSA-N 3 2 279.472 2.347 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247950150 334292163 /nfs/dbraw/zinc/29/21/63/334292163.db2.gz DYZCVTCSYVRBNC-DOTOQJQBSA-N 3 2 279.472 2.347 20 30 CEEDLP C=CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581172663 336018981 /nfs/dbraw/zinc/01/89/81/336018981.db2.gz KSHVCAKJVUTOQT-MRXNPFEDSA-N 2 2 266.429 2.387 20 30 CEEDLP C=CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581172663 336018983 /nfs/dbraw/zinc/01/89/83/336018983.db2.gz KSHVCAKJVUTOQT-MRXNPFEDSA-N 2 2 266.429 2.387 20 30 CEEDLP CCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000330095649 528180971 /nfs/dbraw/zinc/18/09/71/528180971.db2.gz VWMDYOUWCKOIIX-UHFFFAOYSA-N 2 2 278.400 2.184 20 30 CEEDLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329211978 528231289 /nfs/dbraw/zinc/23/12/89/528231289.db2.gz HNAZDARYAMYTMO-KBPBESRZSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329211978 528231293 /nfs/dbraw/zinc/23/12/93/528231293.db2.gz HNAZDARYAMYTMO-KBPBESRZSA-N 2 2 290.411 2.276 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191407655 535584776 /nfs/dbraw/zinc/58/47/76/535584776.db2.gz VLGAQLRYTUUEFC-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191407655 535584782 /nfs/dbraw/zinc/58/47/82/535584782.db2.gz VLGAQLRYTUUEFC-AWEZNQCLSA-N 2 2 274.412 2.060 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450395 613751021 /nfs/dbraw/zinc/75/10/21/613751021.db2.gz TZSSMSWVKQMIGG-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450395 613751023 /nfs/dbraw/zinc/75/10/23/613751023.db2.gz TZSSMSWVKQMIGG-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170689 613873436 /nfs/dbraw/zinc/87/34/36/613873436.db2.gz PPAMMYOUSFMVKZ-KBPBESRZSA-N 2 2 298.390 2.380 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCO1 ZINC000926209988 623908006 /nfs/dbraw/zinc/90/80/06/623908006.db2.gz JHNJBTZPNNURRV-SJORKVTESA-N 2 2 278.440 2.267 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3onc(C)c3c2)CC1 ZINC000894228712 629239985 /nfs/dbraw/zinc/23/99/85/629239985.db2.gz HXWKKCHVMYGVRZ-UHFFFAOYSA-N 2 2 286.379 2.271 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(O)cc1Cl ZINC000894863849 629702276 /nfs/dbraw/zinc/70/22/76/629702276.db2.gz XFVSFJQYYUDSCI-UHFFFAOYSA-N 2 2 296.798 2.099 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(O)cc1Cl ZINC000894863849 629702280 /nfs/dbraw/zinc/70/22/80/629702280.db2.gz XFVSFJQYYUDSCI-UHFFFAOYSA-N 2 2 296.798 2.099 20 30 CEEDLP C=C(Br)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000168205597 631110660 /nfs/dbraw/zinc/11/06/60/631110660.db2.gz QPOHHLHWXFUZHK-FGWVZKOKSA-N 2 2 259.191 2.110 20 30 CEEDLP C=C(Br)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000168205597 631110661 /nfs/dbraw/zinc/11/06/61/631110661.db2.gz QPOHHLHWXFUZHK-FGWVZKOKSA-N 2 2 259.191 2.110 20 30 CEEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000900491132 633742125 /nfs/dbraw/zinc/74/21/25/633742125.db2.gz FFHSEOYNZHDBCV-UHFFFAOYSA-N 2 2 272.352 2.089 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000817949772 633795223 /nfs/dbraw/zinc/79/52/23/633795223.db2.gz MRXYCSFVOREPLS-GDBMZVCRSA-N 2 2 272.392 2.491 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819024403 634043766 /nfs/dbraw/zinc/04/37/66/634043766.db2.gz PNGDXEXDJZLWOC-OAHLLOKOSA-N 2 2 296.361 2.238 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070306 634965800 /nfs/dbraw/zinc/96/58/00/634965800.db2.gz TWCKZBHPLJSESG-UKRRQHHQSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903070306 634965803 /nfs/dbraw/zinc/96/58/03/634965803.db2.gz TWCKZBHPLJSESG-UKRRQHHQSA-N 2 2 272.396 2.336 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000903452622 635135910 /nfs/dbraw/zinc/13/59/10/635135910.db2.gz OMOLISLYQSZBPE-INIZCTEOSA-N 2 2 257.381 2.344 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000903452622 635135911 /nfs/dbraw/zinc/13/59/11/635135911.db2.gz OMOLISLYQSZBPE-INIZCTEOSA-N 2 2 257.381 2.344 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157945543 639557247 /nfs/dbraw/zinc/55/72/47/639557247.db2.gz FQQUJAINBDUEBG-IAGOWNOFSA-N 2 2 254.377 2.255 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157945543 639557251 /nfs/dbraw/zinc/55/72/51/639557251.db2.gz FQQUJAINBDUEBG-IAGOWNOFSA-N 2 2 254.377 2.255 20 30 CEEDLP N#Cc1cncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000929804379 640291805 /nfs/dbraw/zinc/29/18/05/640291805.db2.gz WJHMNNWUAGIYII-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845498202 640987343 /nfs/dbraw/zinc/98/73/43/640987343.db2.gz VZPHWMSQTRBXEM-GJZGRUSLSA-N 2 2 291.395 2.111 20 30 CEEDLP CCNC(NC[C@H]([NH2+][C@H](C)CC)c1ccco1)=[NH+]CC ZINC000849023332 642236778 /nfs/dbraw/zinc/23/67/78/642236778.db2.gz KJMRFFFBSJONRN-OLZOCXBDSA-N 2 2 280.416 2.284 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)cnc1Cl ZINC000922146859 642905151 /nfs/dbraw/zinc/90/51/51/642905151.db2.gz FOPCNOZCCRYQON-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)cnc1Cl ZINC000922146859 642905156 /nfs/dbraw/zinc/90/51/56/642905156.db2.gz FOPCNOZCCRYQON-UHFFFAOYSA-N 2 2 265.788 2.088 20 30 CEEDLP N#Cc1ccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923532311 643752852 /nfs/dbraw/zinc/75/28/52/643752852.db2.gz BDGJXOWRGDHMDP-KRWDZBQOSA-N 2 2 269.392 2.319 20 30 CEEDLP N#Cc1ccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923532311 643752855 /nfs/dbraw/zinc/75/28/55/643752855.db2.gz BDGJXOWRGDHMDP-KRWDZBQOSA-N 2 2 269.392 2.319 20 30 CEEDLP C[NH+](C)C1(C)CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000872387038 649376700 /nfs/dbraw/zinc/37/67/00/649376700.db2.gz DFPMDGUEPQBPRJ-UHFFFAOYSA-N 2 2 277.416 2.113 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128113523 651365653 /nfs/dbraw/zinc/36/56/53/651365653.db2.gz FUXFCHVJYBOSDG-LSDHHAIUSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128113523 651365654 /nfs/dbraw/zinc/36/56/54/651365654.db2.gz FUXFCHVJYBOSDG-LSDHHAIUSA-N 2 2 273.355 2.414 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(O)c1Cl ZINC000385707985 804456082 /nfs/dbraw/zinc/45/60/82/804456082.db2.gz GWIRWLHNROHTMH-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1Cl ZINC000385707985 804456087 /nfs/dbraw/zinc/45/60/87/804456087.db2.gz GWIRWLHNROHTMH-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C=CCCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001269437184 805163346 /nfs/dbraw/zinc/16/33/46/805163346.db2.gz LDWAPPZKTMNIAY-UHFFFAOYSA-N 2 2 298.390 2.381 20 30 CEEDLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC001119606189 815137587 /nfs/dbraw/zinc/13/75/87/815137587.db2.gz LVPLUQIIFBMKJF-CYBMUJFWSA-N 2 2 258.369 2.090 20 30 CEEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001172290451 815382606 /nfs/dbraw/zinc/38/26/06/815382606.db2.gz BOLYCZIJVAMKBC-AWEZNQCLSA-N 2 2 257.381 2.175 20 30 CEEDLP COCC[N@H+]([C@@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172507215 815457708 /nfs/dbraw/zinc/45/77/08/815457708.db2.gz QQMFUXVDAUWAAL-AWEZNQCLSA-N 2 2 267.417 2.111 20 30 CEEDLP COCC[N@@H+]([C@@H](C)CCCC#N)C1CC[NH+](C)CC1 ZINC001172507215 815457710 /nfs/dbraw/zinc/45/77/10/815457710.db2.gz QQMFUXVDAUWAAL-AWEZNQCLSA-N 2 2 267.417 2.111 20 30 CEEDLP C#C[C@@](C)(CC)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169700229 811631230 /nfs/dbraw/zinc/63/12/30/811631230.db2.gz KYPYJTCMJOTUHX-WBVHZDCISA-N 2 2 271.408 2.433 20 30 CEEDLP C#C[C@@](C)(CC)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169700229 811631232 /nfs/dbraw/zinc/63/12/32/811631232.db2.gz KYPYJTCMJOTUHX-WBVHZDCISA-N 2 2 271.408 2.433 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135136129 813373277 /nfs/dbraw/zinc/37/32/77/813373277.db2.gz GDLJFQRNFWUCFT-CABCVRRESA-N 2 2 292.427 2.112 20 30 CEEDLP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(C#N)c1 ZINC001137706279 815669904 /nfs/dbraw/zinc/66/99/04/815669904.db2.gz VGLYFVFBYJIMGU-UHFFFAOYSA-N 2 2 285.391 2.094 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000297787964 260133960 /nfs/dbraw/zinc/13/39/60/260133960.db2.gz PWLSGDJYXUSNJJ-ZDUSSCGKSA-N 2 2 262.401 2.204 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000122463404 365627913 /nfs/dbraw/zinc/62/79/13/365627913.db2.gz ZRUJDNNCATZBAJ-MRXNPFEDSA-N 2 2 288.439 2.336 20 30 CEEDLP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000127333491 365742895 /nfs/dbraw/zinc/74/28/95/365742895.db2.gz SMEVBDGVTDBAID-HNNXBMFYSA-N 2 2 297.406 2.122 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602005164 346955794 /nfs/dbraw/zinc/95/57/94/346955794.db2.gz NELXSTJIWULWIV-KBPBESRZSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602005164 346955796 /nfs/dbraw/zinc/95/57/96/346955796.db2.gz NELXSTJIWULWIV-KBPBESRZSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000602454256 347039947 /nfs/dbraw/zinc/03/99/47/347039947.db2.gz QPPSGMNDXSOJKU-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000602479280 347052405 /nfs/dbraw/zinc/05/24/05/347052405.db2.gz ZUZZUVUGDYTYOR-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000602479280 347052406 /nfs/dbraw/zinc/05/24/06/347052406.db2.gz ZUZZUVUGDYTYOR-KRWDZBQOSA-N 2 2 284.407 2.404 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000602483940 347055318 /nfs/dbraw/zinc/05/53/18/347055318.db2.gz KHJJMYWPIPJFKI-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000602483940 347055321 /nfs/dbraw/zinc/05/53/21/347055321.db2.gz KHJJMYWPIPJFKI-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000586789094 345022378 /nfs/dbraw/zinc/02/23/78/345022378.db2.gz MEHJAZWHZMCHFT-KRWDZBQOSA-N 2 2 298.434 2.211 20 30 CEEDLP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000586789094 345022380 /nfs/dbraw/zinc/02/23/80/345022380.db2.gz MEHJAZWHZMCHFT-KRWDZBQOSA-N 2 2 298.434 2.211 20 30 CEEDLP N#Cc1cnccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000592084919 345320533 /nfs/dbraw/zinc/32/05/33/345320533.db2.gz WRTLZEQFAPPPQN-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000592084919 345320537 /nfs/dbraw/zinc/32/05/37/345320537.db2.gz WRTLZEQFAPPPQN-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000592084919 345320540 /nfs/dbraw/zinc/32/05/40/345320540.db2.gz WRTLZEQFAPPPQN-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000592084919 345320542 /nfs/dbraw/zinc/32/05/42/345320542.db2.gz WRTLZEQFAPPPQN-MAUKXSAKSA-N 2 2 296.418 2.402 20 30 CEEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000591577859 345266104 /nfs/dbraw/zinc/26/61/04/345266104.db2.gz JDRPXMFIFCDPCB-GOEBONIOSA-N 2 2 255.365 2.277 20 30 CEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152902 345330986 /nfs/dbraw/zinc/33/09/86/345330986.db2.gz GMAFTFBBFNUFTP-QGZVFWFLSA-N 2 2 296.374 2.031 20 30 CEEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152902 345330987 /nfs/dbraw/zinc/33/09/87/345330987.db2.gz GMAFTFBBFNUFTP-QGZVFWFLSA-N 2 2 296.374 2.031 20 30 CEEDLP N#Cc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000598679351 346399621 /nfs/dbraw/zinc/39/96/21/346399621.db2.gz HGXZAQJAAJRVPY-UHFFFAOYSA-N 2 2 255.365 2.275 20 30 CEEDLP N#Cc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000598679351 346399623 /nfs/dbraw/zinc/39/96/23/346399623.db2.gz HGXZAQJAAJRVPY-UHFFFAOYSA-N 2 2 255.365 2.275 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000602594014 347092213 /nfs/dbraw/zinc/09/22/13/347092213.db2.gz OIASMVHRDWOVOI-CABCVRRESA-N 2 2 279.428 2.017 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000602594014 347092216 /nfs/dbraw/zinc/09/22/16/347092216.db2.gz OIASMVHRDWOVOI-CABCVRRESA-N 2 2 279.428 2.017 20 30 CEEDLP C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662220 346557373 /nfs/dbraw/zinc/55/73/73/346557373.db2.gz ZPZAYGCGGKDMTD-MRXNPFEDSA-N 2 2 290.407 2.298 20 30 CEEDLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000600712580 346676004 /nfs/dbraw/zinc/67/60/04/346676004.db2.gz YODQBTCKSYGPKL-SUNKGSAMSA-N 2 2 261.344 2.488 20 30 CEEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157343 347629199 /nfs/dbraw/zinc/62/91/99/347629199.db2.gz DXSXBZMBGKPCIZ-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157343 347629200 /nfs/dbraw/zinc/62/92/00/347629200.db2.gz DXSXBZMBGKPCIZ-MRXNPFEDSA-N 2 2 296.374 2.471 20 30 CEEDLP N#CCSCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610409890 347679600 /nfs/dbraw/zinc/67/96/00/347679600.db2.gz OSGJRAZIPSSGNL-CYBMUJFWSA-N 2 2 264.398 2.167 20 30 CEEDLP N#CCSCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610409890 347679602 /nfs/dbraw/zinc/67/96/02/347679602.db2.gz OSGJRAZIPSSGNL-CYBMUJFWSA-N 2 2 264.398 2.167 20 30 CEEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000610762228 347712336 /nfs/dbraw/zinc/71/23/36/347712336.db2.gz PQHVAHXXLMBZGK-IRXDYDNUSA-N 2 2 292.471 2.027 20 30 CEEDLP CC(C)[C@H](C#N)N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000610762228 347712338 /nfs/dbraw/zinc/71/23/38/347712338.db2.gz PQHVAHXXLMBZGK-IRXDYDNUSA-N 2 2 292.471 2.027 20 30 CEEDLP N#Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000610995028 347730094 /nfs/dbraw/zinc/73/00/94/347730094.db2.gz VKYQAHSIUHGKSW-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP N#Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000610995028 347730096 /nfs/dbraw/zinc/73/00/96/347730096.db2.gz VKYQAHSIUHGKSW-ZDUSSCGKSA-N 2 2 267.336 2.056 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1 ZINC000122320011 187026630 /nfs/dbraw/zinc/02/66/30/187026630.db2.gz PZNPKGJVZMTXNG-SWLSCSKDSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1C1CC1 ZINC000122320011 187026631 /nfs/dbraw/zinc/02/66/31/187026631.db2.gz PZNPKGJVZMTXNG-SWLSCSKDSA-N 2 2 255.365 2.273 20 30 CEEDLP C[N@H+](CCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987635 363693139 /nfs/dbraw/zinc/69/31/39/363693139.db2.gz CWIIXARTWLDDAN-UHFFFAOYSA-N 2 2 286.423 2.324 20 30 CEEDLP C[N@@H+](CCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987635 363693143 /nfs/dbraw/zinc/69/31/43/363693143.db2.gz CWIIXARTWLDDAN-UHFFFAOYSA-N 2 2 286.423 2.324 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151120982 366622072 /nfs/dbraw/zinc/62/20/72/366622072.db2.gz SXGVCAGKDLANBU-HOCLYGCPSA-N 2 2 284.403 2.413 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151120982 366622078 /nfs/dbraw/zinc/62/20/78/366622078.db2.gz SXGVCAGKDLANBU-HOCLYGCPSA-N 2 2 284.403 2.413 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000177908515 189078163 /nfs/dbraw/zinc/07/81/63/189078163.db2.gz BSQZKDJZIROPRN-LBPRGKRZSA-N 2 2 262.401 2.030 20 30 CEEDLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1C#N ZINC000181082197 189287916 /nfs/dbraw/zinc/28/79/16/189287916.db2.gz KUEGSTBAMKUQMO-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C#N ZINC000181082197 189287917 /nfs/dbraw/zinc/28/79/17/189287917.db2.gz KUEGSTBAMKUQMO-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833316 363871950 /nfs/dbraw/zinc/87/19/50/363871950.db2.gz OOBNQNJRRWNXIQ-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833316 363871952 /nfs/dbraw/zinc/87/19/52/363871952.db2.gz OOBNQNJRRWNXIQ-UHFFFAOYSA-N 2 2 287.407 2.483 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093693156 364217374 /nfs/dbraw/zinc/21/73/74/364217374.db2.gz XURMHACIKUSYJI-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093693156 364217381 /nfs/dbraw/zinc/21/73/81/364217381.db2.gz XURMHACIKUSYJI-CYBMUJFWSA-N 2 2 261.369 2.315 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335179309 364583046 /nfs/dbraw/zinc/58/30/46/364583046.db2.gz RKRDPHFPNWEMID-CQSZACIVSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335179309 364583051 /nfs/dbraw/zinc/58/30/51/364583051.db2.gz RKRDPHFPNWEMID-CQSZACIVSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CCOCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680133864 541370081 /nfs/dbraw/zinc/37/00/81/541370081.db2.gz TWTFTMXONUNZSC-UHFFFAOYSA-N 2 2 263.366 2.226 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936236 365183064 /nfs/dbraw/zinc/18/30/64/365183064.db2.gz HPKGHRKRHAULCJ-DOMZBBRYSA-N 2 2 255.365 2.087 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000335936236 365183067 /nfs/dbraw/zinc/18/30/67/365183067.db2.gz HPKGHRKRHAULCJ-DOMZBBRYSA-N 2 2 255.365 2.087 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CC)CC1 ZINC000119126032 365222079 /nfs/dbraw/zinc/22/20/79/365222079.db2.gz YIKBHYRTKRFCAM-UHFFFAOYSA-N 2 2 262.401 2.033 20 30 CEEDLP CN(C)C(=[NH+]C[C@@H](c1ccccc1Cl)[NH+](C)C)N(C)C ZINC000170906787 367444673 /nfs/dbraw/zinc/44/46/73/367444673.db2.gz SIIPLGAUNPBPHU-AWEZNQCLSA-N 2 2 296.846 2.422 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000343273476 367738054 /nfs/dbraw/zinc/73/80/54/367738054.db2.gz XNBCYUUWLIGWPT-IXDOHACOSA-N 2 2 279.472 2.225 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000343273476 367738057 /nfs/dbraw/zinc/73/80/57/367738057.db2.gz XNBCYUUWLIGWPT-IXDOHACOSA-N 2 2 279.472 2.225 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1C1CC1 ZINC000179880464 368357401 /nfs/dbraw/zinc/35/74/01/368357401.db2.gz WMKBIGPKDXIAAO-ZFWWWQNUSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1C1CC1 ZINC000179880464 368357403 /nfs/dbraw/zinc/35/74/03/368357403.db2.gz WMKBIGPKDXIAAO-ZFWWWQNUSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346092791 368543387 /nfs/dbraw/zinc/54/33/87/368543387.db2.gz YREUMXAXCWEKLZ-LBPRGKRZSA-N 2 2 261.344 2.444 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189579563 369542525 /nfs/dbraw/zinc/54/25/25/369542525.db2.gz LOBYEWZSMXLLCL-UHFFFAOYSA-N 2 2 293.374 2.345 20 30 CEEDLP C[C@H](C[NH2+]Cc1nc(C#N)cs1)C[NH+]1CCCCC1 ZINC000352854698 369916044 /nfs/dbraw/zinc/91/60/44/369916044.db2.gz RMOUMOUAKAVAAQ-GFCCVEGCSA-N 2 2 278.425 2.226 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC000361834093 372090968 /nfs/dbraw/zinc/09/09/68/372090968.db2.gz RXUAKOUGPMHQNE-UHFFFAOYSA-N 2 2 256.393 2.454 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC000361834093 372090973 /nfs/dbraw/zinc/09/09/73/372090973.db2.gz RXUAKOUGPMHQNE-UHFFFAOYSA-N 2 2 256.393 2.454 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761642 376691904 /nfs/dbraw/zinc/69/19/04/376691904.db2.gz FWZNMPRKJBSXJC-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761642 376691908 /nfs/dbraw/zinc/69/19/08/376691908.db2.gz FWZNMPRKJBSXJC-SFHVURJKSA-N 2 2 299.418 2.245 20 30 CEEDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1C#N ZINC000290585407 376843744 /nfs/dbraw/zinc/84/37/44/376843744.db2.gz UXDQAVTWDJDMAG-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCn2c[nH+]cc2C1 ZINC000329506478 376965372 /nfs/dbraw/zinc/96/53/72/376965372.db2.gz ZPVGRKRWXSCGCD-NWANDNLSSA-N 2 2 288.395 2.029 20 30 CEEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCn2c[nH+]cc2C1 ZINC000329506478 376965377 /nfs/dbraw/zinc/96/53/77/376965377.db2.gz ZPVGRKRWXSCGCD-NWANDNLSSA-N 2 2 288.395 2.029 20 30 CEEDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1 ZINC000313246842 249388064 /nfs/dbraw/zinc/38/80/64/249388064.db2.gz AREVVAXNTIFAOF-LBPRGKRZSA-N 2 2 254.337 2.185 20 30 CEEDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442640760 377974418 /nfs/dbraw/zinc/97/44/18/377974418.db2.gz BTLGXNBRUPGCNE-BBWFWOEESA-N 2 2 271.408 2.441 20 30 CEEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450467688 378434725 /nfs/dbraw/zinc/43/47/25/378434725.db2.gz DTRMUCBZOGZGIV-AWEZNQCLSA-N 2 2 258.369 2.350 20 30 CEEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330309517 394600473 /nfs/dbraw/zinc/60/04/73/394600473.db2.gz MWDMOIKIGIJOQI-UONOGXRCSA-N 2 2 290.411 2.417 20 30 CEEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330309517 394600477 /nfs/dbraw/zinc/60/04/77/394600477.db2.gz MWDMOIKIGIJOQI-UONOGXRCSA-N 2 2 290.411 2.417 20 30 CEEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359515843 394759502 /nfs/dbraw/zinc/75/95/02/394759502.db2.gz PAUSHYXXJFHBGG-HOTGVXAUSA-N 2 2 266.429 2.385 20 30 CEEDLP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359515843 394759504 /nfs/dbraw/zinc/75/95/04/394759504.db2.gz PAUSHYXXJFHBGG-HOTGVXAUSA-N 2 2 266.429 2.385 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134157 394944856 /nfs/dbraw/zinc/94/48/56/394944856.db2.gz HCTJFPMGBPHNEE-UMVBOHGHSA-N 2 2 257.337 2.227 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000339134157 394944860 /nfs/dbraw/zinc/94/48/60/394944860.db2.gz HCTJFPMGBPHNEE-UMVBOHGHSA-N 2 2 257.337 2.227 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000286084767 395010054 /nfs/dbraw/zinc/01/00/54/395010054.db2.gz MLNVSIUSNJLBGJ-CABCVRRESA-N 2 2 278.396 2.333 20 30 CEEDLP Cc1cc(NCC2([NH+](C)C)CCCCC2)c(C#N)c[nH+]1 ZINC000425199106 395052532 /nfs/dbraw/zinc/05/25/32/395052532.db2.gz GKXVGNXSJZLMGO-UHFFFAOYSA-N 2 2 272.396 2.360 20 30 CEEDLP C#Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290383894 395102063 /nfs/dbraw/zinc/10/20/63/395102063.db2.gz IGQVRFLVMDWYHS-UHFFFAOYSA-N 2 2 253.349 2.387 20 30 CEEDLP C#Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290383894 395102068 /nfs/dbraw/zinc/10/20/68/395102068.db2.gz IGQVRFLVMDWYHS-UHFFFAOYSA-N 2 2 253.349 2.387 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000352901161 395274665 /nfs/dbraw/zinc/27/46/65/395274665.db2.gz LASJJNQERVQVMU-PBHICJAKSA-N 2 2 277.456 2.099 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000534581803 395463175 /nfs/dbraw/zinc/46/31/75/395463175.db2.gz ZXZCUXKISXGZCX-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000534581803 395463177 /nfs/dbraw/zinc/46/31/77/395463177.db2.gz ZXZCUXKISXGZCX-HNNXBMFYSA-N 2 2 266.348 2.281 20 30 CEEDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574500791 395631118 /nfs/dbraw/zinc/63/11/18/395631118.db2.gz QFURRJDJYIEXBE-MRXNPFEDSA-N 2 2 266.348 2.111 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000292796161 400321576 /nfs/dbraw/zinc/32/15/76/400321576.db2.gz MYVWZGHMNFRANB-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC000292796161 400321583 /nfs/dbraw/zinc/32/15/83/400321583.db2.gz MYVWZGHMNFRANB-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC000292796161 400321590 /nfs/dbraw/zinc/32/15/90/400321590.db2.gz MYVWZGHMNFRANB-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000292796161 400321594 /nfs/dbraw/zinc/32/15/94/400321594.db2.gz MYVWZGHMNFRANB-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000651818799 401398745 /nfs/dbraw/zinc/39/87/45/401398745.db2.gz FUIAAAQCFZOZAR-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000651818799 401398747 /nfs/dbraw/zinc/39/87/47/401398747.db2.gz FUIAAAQCFZOZAR-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000651818922 401398757 /nfs/dbraw/zinc/39/87/57/401398757.db2.gz KLTLUGKIGIHUCN-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000651818922 401398758 /nfs/dbraw/zinc/39/87/58/401398758.db2.gz KLTLUGKIGIHUCN-OAGGEKHMSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293912 415300135 /nfs/dbraw/zinc/30/01/35/415300135.db2.gz KBAFWEKJWYRQCV-UKRRQHHQSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666767013 419422046 /nfs/dbraw/zinc/42/20/46/419422046.db2.gz OTNUISGVKGWDRE-HNNXBMFYSA-N 2 2 260.381 2.483 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)O1 ZINC000364288469 262195670 /nfs/dbraw/zinc/19/56/70/262195670.db2.gz FBXNHRYCRKLGIU-WCXIOVBPSA-N 2 2 291.439 2.302 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)O1 ZINC000364288457 262195677 /nfs/dbraw/zinc/19/56/77/262195677.db2.gz FBXNHRYCRKLGIU-NCOADZHNSA-N 2 2 291.439 2.302 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000414883610 263098403 /nfs/dbraw/zinc/09/84/03/263098403.db2.gz NPAGHUULMYCAKZ-GFCCVEGCSA-N 2 2 266.772 2.356 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414908908 263115215 /nfs/dbraw/zinc/11/52/15/263115215.db2.gz BODWACFQLHJWNF-CJNGLKHVSA-N 2 2 260.381 2.339 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415050536 263255586 /nfs/dbraw/zinc/25/55/86/263255586.db2.gz YYMQZLDHFIYDDW-HNNXBMFYSA-N 2 2 260.381 2.482 20 30 CEEDLP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc(OC)c1O ZINC000415048814 263258077 /nfs/dbraw/zinc/25/80/77/263258077.db2.gz XKWLQLCTLAWHBI-OAHLLOKOSA-N 2 2 290.407 2.359 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189531374 264306811 /nfs/dbraw/zinc/30/68/11/264306811.db2.gz JSTGJQSTFUMSOF-UHFFFAOYSA-N 2 2 252.402 2.182 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967198 267214821 /nfs/dbraw/zinc/21/48/21/267214821.db2.gz VRYVLGWUDUMUQQ-BXUZGUMPSA-N 2 2 265.426 2.438 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967198 267214825 /nfs/dbraw/zinc/21/48/25/267214825.db2.gz VRYVLGWUDUMUQQ-BXUZGUMPSA-N 2 2 265.426 2.438 20 30 CEEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330245060 276152817 /nfs/dbraw/zinc/15/28/17/276152817.db2.gz KOQAYHGSLFZJLE-QWHCGFSZSA-N 2 2 276.384 2.029 20 30 CEEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330245060 276152818 /nfs/dbraw/zinc/15/28/18/276152818.db2.gz KOQAYHGSLFZJLE-QWHCGFSZSA-N 2 2 276.384 2.029 20 30 CEEDLP CC[N@H+](C)CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086038030 276305969 /nfs/dbraw/zinc/30/59/69/276305969.db2.gz VGMAMDXNQMSQKQ-UHFFFAOYSA-N 2 2 257.381 2.152 20 30 CEEDLP CC[N@@H+](C)CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086038030 276305970 /nfs/dbraw/zinc/30/59/70/276305970.db2.gz VGMAMDXNQMSQKQ-UHFFFAOYSA-N 2 2 257.381 2.152 20 30 CEEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000275976898 278417517 /nfs/dbraw/zinc/41/75/17/278417517.db2.gz DGSRICBVXVNGOD-AWEZNQCLSA-N 2 2 295.390 2.175 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562656702 327502741 /nfs/dbraw/zinc/50/27/41/327502741.db2.gz IPJWYBBRXKFETH-AGGWBTHJSA-N 2 2 252.402 2.182 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453261610 331108664 /nfs/dbraw/zinc/10/86/64/331108664.db2.gz KBTREVKINWAQBR-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453261610 331108665 /nfs/dbraw/zinc/10/86/65/331108665.db2.gz KBTREVKINWAQBR-HOTGVXAUSA-N 2 2 266.429 2.168 20 30 CEEDLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000459658052 331292523 /nfs/dbraw/zinc/29/25/23/331292523.db2.gz ITIIJEVJEOLNLZ-UHFFFAOYSA-N 2 2 298.390 2.435 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174343222 335152958 /nfs/dbraw/zinc/15/29/58/335152958.db2.gz JLGZYFDEBZSBRY-CQSZACIVSA-N 2 2 267.417 2.017 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174343222 335152959 /nfs/dbraw/zinc/15/29/59/335152959.db2.gz JLGZYFDEBZSBRY-CQSZACIVSA-N 2 2 267.417 2.017 20 30 CEEDLP C=C(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615719 336113052 /nfs/dbraw/zinc/11/30/52/336113052.db2.gz QMCZBGHEAXUVEY-XJKSGUPXSA-N 2 2 298.377 2.484 20 30 CEEDLP C=C(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615719 336113053 /nfs/dbraw/zinc/11/30/53/336113053.db2.gz QMCZBGHEAXUVEY-XJKSGUPXSA-N 2 2 298.377 2.484 20 30 CEEDLP Cc1cn2cc(NC(=O)NC3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000329205605 534513160 /nfs/dbraw/zinc/51/31/60/534513160.db2.gz DLIVDRKVWGSXMM-UHFFFAOYSA-N 2 2 287.367 2.063 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000363384512 526708302 /nfs/dbraw/zinc/70/83/02/526708302.db2.gz LMYPMBUGRAPVSW-ROUUACIJSA-N 2 2 299.418 2.149 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000738947505 574419666 /nfs/dbraw/zinc/41/96/66/574419666.db2.gz BUHPJNWVRNTZQK-UHFFFAOYSA-N 2 2 299.378 2.106 20 30 CEEDLP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469223 624516045 /nfs/dbraw/zinc/51/60/45/624516045.db2.gz REJMSICNKWEQAK-MSOLQXFVSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000934469223 624516047 /nfs/dbraw/zinc/51/60/47/624516047.db2.gz REJMSICNKWEQAK-MSOLQXFVSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000934469223 624516049 /nfs/dbraw/zinc/51/60/49/624516049.db2.gz REJMSICNKWEQAK-MSOLQXFVSA-N 2 2 286.419 2.056 20 30 CEEDLP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000934469223 624516053 /nfs/dbraw/zinc/51/60/53/624516053.db2.gz REJMSICNKWEQAK-MSOLQXFVSA-N 2 2 286.419 2.056 20 30 CEEDLP C#C[C@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796049377 629754130 /nfs/dbraw/zinc/75/41/30/629754130.db2.gz JDEQUUFEKARFCO-KRWDZBQOSA-N 2 2 285.435 2.152 20 30 CEEDLP C#C[C@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796049377 629754136 /nfs/dbraw/zinc/75/41/36/629754136.db2.gz JDEQUUFEKARFCO-KRWDZBQOSA-N 2 2 285.435 2.152 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000817968419 633812210 /nfs/dbraw/zinc/81/22/10/633812210.db2.gz SEANWNJZMPHZEU-ZQIUZPCESA-N 2 2 272.392 2.347 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817983896 633826192 /nfs/dbraw/zinc/82/61/92/633826192.db2.gz KZMOYEUYJKGDBJ-ZFWWWQNUSA-N 2 2 273.380 2.382 20 30 CEEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819078304 634062188 /nfs/dbraw/zinc/06/21/88/634062188.db2.gz IOFRZCNASQCMNH-DLBZAZTESA-N 2 2 287.407 2.056 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000903100057 634969203 /nfs/dbraw/zinc/96/92/03/634969203.db2.gz ICIOZQMBRPHZAW-CABCVRRESA-N 2 2 281.444 2.263 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C#N)[C@H](C)C1 ZINC000903100057 634969206 /nfs/dbraw/zinc/96/92/06/634969206.db2.gz ICIOZQMBRPHZAW-CABCVRRESA-N 2 2 281.444 2.263 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903091719 634974095 /nfs/dbraw/zinc/97/40/95/634974095.db2.gz ZCVOGGBGFLUQSH-OAHLLOKOSA-N 2 2 264.413 2.328 20 30 CEEDLP CNC(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)=[NH+]C ZINC000848981417 642204408 /nfs/dbraw/zinc/20/44/08/642204408.db2.gz SJHUOFNFUCPEIF-CQSZACIVSA-N 2 2 294.830 2.272 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921703310 642550110 /nfs/dbraw/zinc/55/01/10/642550110.db2.gz SYWNJWHYTXIXMC-BFYDXBDKSA-N 2 2 278.440 2.432 20 30 CEEDLP N#Cc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cs1 ZINC000921795700 642627143 /nfs/dbraw/zinc/62/71/43/642627143.db2.gz YFHQRLPFRKUTJN-LBPRGKRZSA-N 2 2 272.377 2.483 20 30 CEEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877653199 650834771 /nfs/dbraw/zinc/83/47/71/650834771.db2.gz BQZZZOCIQGVIIO-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877653199 650834773 /nfs/dbraw/zinc/83/47/73/650834773.db2.gz BQZZZOCIQGVIIO-LBPRGKRZSA-N 2 2 292.814 2.428 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000863547708 646753728 /nfs/dbraw/zinc/75/37/28/646753728.db2.gz RQRUANXIJSFCFH-VNHYZAJKSA-N 2 2 273.380 2.380 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187624 647207126 /nfs/dbraw/zinc/20/71/26/647207126.db2.gz AZTBPIWVMWLWDU-DZGCQCFKSA-N 2 2 296.374 2.279 20 30 CEEDLP C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314724 651063528 /nfs/dbraw/zinc/06/35/28/651063528.db2.gz SXIAGFAMJJOVLL-INIZCTEOSA-N 2 2 290.407 2.298 20 30 CEEDLP C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314724 651063530 /nfs/dbraw/zinc/06/35/30/651063530.db2.gz SXIAGFAMJJOVLL-INIZCTEOSA-N 2 2 290.407 2.298 20 30 CEEDLP C[C@@H](C#N)OCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569868 651462194 /nfs/dbraw/zinc/46/21/94/651462194.db2.gz QZFHVSRKYLZTQJ-GOEBONIOSA-N 2 2 284.363 2.143 20 30 CEEDLP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254976 810814576 /nfs/dbraw/zinc/81/45/76/810814576.db2.gz TVNVKOFGCXDNRC-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038254976 810814581 /nfs/dbraw/zinc/81/45/81/810814581.db2.gz TVNVKOFGCXDNRC-HNNXBMFYSA-N 2 2 298.390 2.023 20 30 CEEDLP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121429 811036149 /nfs/dbraw/zinc/03/61/49/811036149.db2.gz SGWYZGYVRQTOEI-XBXGTLAGSA-N 2 2 298.390 2.237 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499032 812999174 /nfs/dbraw/zinc/99/91/74/812999174.db2.gz MFKTUODXUBUUMP-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499032 812999184 /nfs/dbraw/zinc/99/91/84/812999184.db2.gz MFKTUODXUBUUMP-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=C1C[C@@H]2CC([N@H+]3C[C@@H]([NH3+])C[C@H](F)C3)C[C@H](C1)C2 ZINC001246576285 814123185 /nfs/dbraw/zinc/12/31/85/814123185.db2.gz FNBBCNXCELDBQL-UZSCSNNJSA-N 2 2 252.377 2.492 20 30 CEEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]([NH3+])C[C@H](F)C3)C[C@H](C1)C2 ZINC001246576285 814123192 /nfs/dbraw/zinc/12/31/92/814123192.db2.gz FNBBCNXCELDBQL-UZSCSNNJSA-N 2 2 252.377 2.492 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462741 816205003 /nfs/dbraw/zinc/20/50/03/816205003.db2.gz WBAPSQSJEAPLOX-AWEZNQCLSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175629453 816246235 /nfs/dbraw/zinc/24/62/35/816246235.db2.gz JXLSEQFOSHUFDB-KBPBESRZSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175629453 816246240 /nfs/dbraw/zinc/24/62/40/816246240.db2.gz JXLSEQFOSHUFDB-KBPBESRZSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CC[NH+]1CCC(Nc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000080984684 344032822 /nfs/dbraw/zinc/03/28/22/344032822.db2.gz SCGNUEGNKCJZSQ-UHFFFAOYSA-N 2 2 271.368 2.329 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048877 /nfs/dbraw/zinc/04/88/77/347048877.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048879 /nfs/dbraw/zinc/04/88/79/347048879.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048882 /nfs/dbraw/zinc/04/88/82/347048882.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048883 /nfs/dbraw/zinc/04/88/83/347048883.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048744 /nfs/dbraw/zinc/04/87/44/347048744.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048748 /nfs/dbraw/zinc/04/87/48/347048748.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048752 /nfs/dbraw/zinc/04/87/52/347048752.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048757 /nfs/dbraw/zinc/04/87/57/347048757.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000237242692 344600266 /nfs/dbraw/zinc/60/02/66/344600266.db2.gz ZDCYXHVVROXEJE-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000237242692 344600269 /nfs/dbraw/zinc/60/02/69/344600269.db2.gz ZDCYXHVVROXEJE-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000602514720 347063439 /nfs/dbraw/zinc/06/34/39/347063439.db2.gz LQDXYZZNLBLOMV-JKSUJKDBSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000602514720 347063442 /nfs/dbraw/zinc/06/34/42/347063442.db2.gz LQDXYZZNLBLOMV-JKSUJKDBSA-N 2 2 293.455 2.407 20 30 CEEDLP N#Cc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000602533755 347069241 /nfs/dbraw/zinc/06/92/41/347069241.db2.gz BRDPZMJZDKMCKF-UHFFFAOYSA-N 2 2 281.363 2.330 20 30 CEEDLP CC[N@H+](CC[NH2+][C@H](C)CC1(C#N)CCOCC1)C1CC1 ZINC000602525011 347066285 /nfs/dbraw/zinc/06/62/85/347066285.db2.gz CQXAYBWTQQPLJG-CQSZACIVSA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@@H+](CC[NH2+][C@H](C)CC1(C#N)CCOCC1)C1CC1 ZINC000602525011 347066286 /nfs/dbraw/zinc/06/62/86/347066286.db2.gz CQXAYBWTQQPLJG-CQSZACIVSA-N 2 2 279.428 2.159 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000591576844 345265423 /nfs/dbraw/zinc/26/54/23/345265423.db2.gz HJBNLKKTXDPYPY-ZBFHGGJFSA-N 2 2 255.365 2.277 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(C#N)o3)cn21 ZINC000592380225 345348019 /nfs/dbraw/zinc/34/80/19/345348019.db2.gz VKGHQDCSRNYOMM-UHFFFAOYSA-N 2 2 280.331 2.440 20 30 CEEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cn21 ZINC000592402400 345350528 /nfs/dbraw/zinc/35/05/28/345350528.db2.gz HRLFNOVNZSFTGN-ZIAGYGMSSA-N 2 2 268.364 2.467 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CO1 ZINC000593691501 345521288 /nfs/dbraw/zinc/52/12/88/345521288.db2.gz ATYALBSKFIVWDK-KDOFPFPSSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C#N)cc1F ZINC000596654421 346072677 /nfs/dbraw/zinc/07/26/77/346072677.db2.gz OLFMMFKXJZERRO-VLRKGOCCSA-N 2 2 259.328 2.100 20 30 CEEDLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)C#N ZINC000596989983 346112571 /nfs/dbraw/zinc/11/25/71/346112571.db2.gz BIFRZBORZAMRBY-ZDUSSCGKSA-N 2 2 269.352 2.249 20 30 CEEDLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)C#N ZINC000596989983 346112573 /nfs/dbraw/zinc/11/25/73/346112573.db2.gz BIFRZBORZAMRBY-ZDUSSCGKSA-N 2 2 269.352 2.249 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720154 180030856 /nfs/dbraw/zinc/03/08/56/180030856.db2.gz AYIAMRDARNBMDH-ZBFHGGJFSA-N 2 2 272.392 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720154 180030858 /nfs/dbraw/zinc/03/08/58/180030858.db2.gz AYIAMRDARNBMDH-ZBFHGGJFSA-N 2 2 272.392 2.271 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000122271450 187023313 /nfs/dbraw/zinc/02/33/13/187023313.db2.gz DGPXWWKAOZVQMK-SWLSCSKDSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000122271450 187023314 /nfs/dbraw/zinc/02/33/14/187023314.db2.gz DGPXWWKAOZVQMK-SWLSCSKDSA-N 2 2 255.365 2.273 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556357 366337242 /nfs/dbraw/zinc/33/72/42/366337242.db2.gz BJPXNKLJAWRMFH-QGTPRVQTSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556357 366337246 /nfs/dbraw/zinc/33/72/46/366337246.db2.gz BJPXNKLJAWRMFH-QGTPRVQTSA-N 2 2 299.418 2.462 20 30 CEEDLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339153268 366678907 /nfs/dbraw/zinc/67/89/07/366678907.db2.gz HCDPJEDKSPYNNX-GJZGRUSLSA-N 2 2 270.380 2.204 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590975 189058842 /nfs/dbraw/zinc/05/88/42/189058842.db2.gz WOMJNTGXIBMHKE-UHFFFAOYSA-N 2 2 256.309 2.138 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC000179424308 189193330 /nfs/dbraw/zinc/19/33/30/189193330.db2.gz GYKDBEJJULFDFI-UHFFFAOYSA-N 2 2 284.407 2.464 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000179424308 189193331 /nfs/dbraw/zinc/19/33/31/189193331.db2.gz GYKDBEJJULFDFI-UHFFFAOYSA-N 3 2 284.407 2.464 20 30 CEEDLP COCC#CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478193 541018370 /nfs/dbraw/zinc/01/83/70/541018370.db2.gz QPDLJJUATIAKQA-KRWDZBQOSA-N 2 2 278.440 2.080 20 30 CEEDLP COCC#CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000677478193 541018371 /nfs/dbraw/zinc/01/83/71/541018371.db2.gz QPDLJJUATIAKQA-KRWDZBQOSA-N 2 2 278.440 2.080 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000153885180 366742252 /nfs/dbraw/zinc/74/22/52/366742252.db2.gz KUOPZMPTPFXZRI-OAHLLOKOSA-N 2 2 260.356 2.061 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000153885180 366742257 /nfs/dbraw/zinc/74/22/57/366742257.db2.gz KUOPZMPTPFXZRI-OAHLLOKOSA-N 2 2 260.356 2.061 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000121035266 365515477 /nfs/dbraw/zinc/51/54/77/365515477.db2.gz RSXKRRYDXZRXFK-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000121035266 365515484 /nfs/dbraw/zinc/51/54/84/365515484.db2.gz RSXKRRYDXZRXFK-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000121035266 365515493 /nfs/dbraw/zinc/51/54/93/365515493.db2.gz RSXKRRYDXZRXFK-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000121035266 365515500 /nfs/dbraw/zinc/51/55/00/365515500.db2.gz RSXKRRYDXZRXFK-HNNXBMFYSA-N 2 2 287.407 2.340 20 30 CEEDLP CN(C)C(=[NH+]C[C@H](c1ccccc1Cl)[NH+](C)C)N(C)C ZINC000170906789 367445478 /nfs/dbraw/zinc/44/54/78/367445478.db2.gz SIIPLGAUNPBPHU-CQSZACIVSA-N 2 2 296.846 2.422 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000343273477 367737779 /nfs/dbraw/zinc/73/77/79/367737779.db2.gz XNBCYUUWLIGWPT-YESZJQIVSA-N 2 2 279.472 2.225 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000343273477 367737785 /nfs/dbraw/zinc/73/77/85/367737785.db2.gz XNBCYUUWLIGWPT-YESZJQIVSA-N 2 2 279.472 2.225 20 30 CEEDLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174261409 368003611 /nfs/dbraw/zinc/00/36/11/368003611.db2.gz PDCVKRGKHGMWFN-UHFFFAOYSA-N 2 2 261.369 2.361 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CNc1[nH+]cnc2[nH]ccc21)C(C)C ZINC000343921005 368076216 /nfs/dbraw/zinc/07/62/16/368076216.db2.gz SDEOUXWDTMTDSN-OAHLLOKOSA-N 2 2 299.422 2.490 20 30 CEEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000177682774 368278619 /nfs/dbraw/zinc/27/86/19/368278619.db2.gz DTTRVCIZMOLBOI-CHWSQXEVSA-N 2 2 293.436 2.209 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@@H+]1C1CC1 ZINC000179880483 368357375 /nfs/dbraw/zinc/35/73/75/368357375.db2.gz WMKBIGPKDXIAAO-UKRRQHHQSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[N@H+]1C1CC1 ZINC000179880483 368357376 /nfs/dbraw/zinc/35/73/76/368357376.db2.gz WMKBIGPKDXIAAO-UKRRQHHQSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183830397 368653609 /nfs/dbraw/zinc/65/36/09/368653609.db2.gz MKGIANYKLBJFSN-CQSZACIVSA-N 2 2 282.391 2.272 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187977660 369268010 /nfs/dbraw/zinc/26/80/10/369268010.db2.gz WCZWCKPKKAOXGK-CQSZACIVSA-N 2 2 274.412 2.476 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841882 369908100 /nfs/dbraw/zinc/90/81/00/369908100.db2.gz TUDDCGXWEXKXDW-LBPRGKRZSA-N 2 2 278.425 2.225 20 30 CEEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841882 369908102 /nfs/dbraw/zinc/90/81/02/369908102.db2.gz TUDDCGXWEXKXDW-LBPRGKRZSA-N 2 2 278.425 2.225 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000352901163 369941589 /nfs/dbraw/zinc/94/15/89/369941589.db2.gz LASJJNQERVQVMU-RHSMWYFYSA-N 2 2 277.456 2.099 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639327761 371235916 /nfs/dbraw/zinc/23/59/16/371235916.db2.gz SFPMPITWIWPJFH-SOLBZPMBSA-N 2 2 286.419 2.491 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639327761 371235923 /nfs/dbraw/zinc/23/59/23/371235923.db2.gz SFPMPITWIWPJFH-SOLBZPMBSA-N 2 2 286.419 2.491 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)CC(C)C)CC1 ZINC000361218268 371721287 /nfs/dbraw/zinc/72/12/87/371721287.db2.gz XLZWCQUVPBKQGD-HNNXBMFYSA-N 2 2 254.418 2.288 20 30 CEEDLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1C#N ZINC000261637791 371687782 /nfs/dbraw/zinc/68/77/82/371687782.db2.gz HONHEQNOELQRLX-SWLSCSKDSA-N 2 2 273.380 2.269 20 30 CEEDLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1C#N ZINC000261637791 371687797 /nfs/dbraw/zinc/68/77/97/371687797.db2.gz HONHEQNOELQRLX-SWLSCSKDSA-N 2 2 273.380 2.269 20 30 CEEDLP [NH2+]=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)CCC2 ZINC000264114013 371972928 /nfs/dbraw/zinc/97/29/28/371972928.db2.gz PNTMJOMEDYKLPL-UHFFFAOYSA-N 2 2 283.379 2.189 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000344288012 217134246 /nfs/dbraw/zinc/13/42/46/217134246.db2.gz JMYXVKDMIIIRQU-HUUCEWRRSA-N 2 2 287.407 2.320 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000272700211 373621834 /nfs/dbraw/zinc/62/18/34/373621834.db2.gz YMNLNHQUWLMRNR-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C#N ZINC000272700211 373621841 /nfs/dbraw/zinc/62/18/41/373621841.db2.gz YMNLNHQUWLMRNR-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000272700211 373621849 /nfs/dbraw/zinc/62/18/49/373621849.db2.gz YMNLNHQUWLMRNR-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000272700211 373621854 /nfs/dbraw/zinc/62/18/54/373621854.db2.gz YMNLNHQUWLMRNR-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276891 /nfs/dbraw/zinc/27/68/91/374276891.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 2 299.418 2.353 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276898 /nfs/dbraw/zinc/27/68/98/374276898.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276909 /nfs/dbraw/zinc/27/69/09/374276909.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000373141148 374276917 /nfs/dbraw/zinc/27/69/17/374276917.db2.gz QMVIGOFMCAUWLV-FUHWJXTLSA-N 2 2 299.418 2.353 20 30 CEEDLP C[C@H](CC#N)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937063 376743237 /nfs/dbraw/zinc/74/32/37/376743237.db2.gz NBTMIWLGVDRIEZ-OAHLLOKOSA-N 2 2 287.407 2.253 20 30 CEEDLP C[C@H](CC#N)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937063 376743241 /nfs/dbraw/zinc/74/32/41/376743241.db2.gz NBTMIWLGVDRIEZ-OAHLLOKOSA-N 2 2 287.407 2.253 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)CCC2 ZINC000328828478 376906648 /nfs/dbraw/zinc/90/66/48/376906648.db2.gz QRUBAHGYPQBAMO-STQMWFEESA-N 2 2 276.384 2.120 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000328828478 376906659 /nfs/dbraw/zinc/90/66/59/376906659.db2.gz QRUBAHGYPQBAMO-STQMWFEESA-N 2 2 276.384 2.120 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000294937878 378029977 /nfs/dbraw/zinc/02/99/77/378029977.db2.gz HUJUTVAADNZUDG-AWEZNQCLSA-N 2 2 287.407 2.251 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000294937878 378029981 /nfs/dbraw/zinc/02/99/81/378029981.db2.gz HUJUTVAADNZUDG-AWEZNQCLSA-N 2 2 287.407 2.251 20 30 CEEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+]1CCOCC1 ZINC000449166015 378199168 /nfs/dbraw/zinc/19/91/68/378199168.db2.gz YUADYHBLQSVEGM-QQFBHYJXSA-N 2 2 279.428 2.017 20 30 CEEDLP C=CC[N@@H+](C)CCN(CC)Cc1c[nH+]c2ccccn12 ZINC000448509572 378171546 /nfs/dbraw/zinc/17/15/46/378171546.db2.gz GDZICWWWNJCFSJ-UHFFFAOYSA-N 2 2 272.396 2.274 20 30 CEEDLP C=CC[N@H+](C)CCN(CC)Cc1c[nH+]c2ccccn12 ZINC000448509572 378171552 /nfs/dbraw/zinc/17/15/52/378171552.db2.gz GDZICWWWNJCFSJ-UHFFFAOYSA-N 2 2 272.396 2.274 20 30 CEEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)o1 ZINC000289452711 197353881 /nfs/dbraw/zinc/35/38/81/197353881.db2.gz NKTUARJSWBKTSI-UHFFFAOYSA-N 2 2 261.369 2.459 20 30 CEEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)o1 ZINC000289452711 197353882 /nfs/dbraw/zinc/35/38/82/197353882.db2.gz NKTUARJSWBKTSI-UHFFFAOYSA-N 2 2 261.369 2.459 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354593 /nfs/dbraw/zinc/35/45/93/380354593.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 2 261.394 2.146 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354599 /nfs/dbraw/zinc/35/45/99/380354599.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354604 /nfs/dbraw/zinc/35/46/04/380354604.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354609 /nfs/dbraw/zinc/35/46/09/380354609.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 2 261.394 2.146 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000548307100 380497283 /nfs/dbraw/zinc/49/72/83/380497283.db2.gz YDGDQFSQPOQQNT-DOMZBBRYSA-N 2 2 266.348 2.420 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000281606482 195305412 /nfs/dbraw/zinc/30/54/12/195305412.db2.gz GIDSAXLSIVKBNA-LRDDRELGSA-N 2 2 285.391 2.139 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1C#N ZINC000281606482 195305415 /nfs/dbraw/zinc/30/54/15/195305415.db2.gz GIDSAXLSIVKBNA-LRDDRELGSA-N 2 2 285.391 2.139 20 30 CEEDLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC000329505799 394568800 /nfs/dbraw/zinc/56/88/00/394568800.db2.gz ZLPLSEZYYJZZHK-KGLIPLIRSA-N 2 2 290.411 2.134 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000329766263 394584387 /nfs/dbraw/zinc/58/43/87/394584387.db2.gz XXBHARIKOQCUMF-UHFFFAOYSA-N 2 2 281.363 2.311 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000104154280 394717696 /nfs/dbraw/zinc/71/76/96/394717696.db2.gz NTHFQIPABGJGKI-AWEZNQCLSA-N 2 2 292.427 2.463 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000104155316 394718469 /nfs/dbraw/zinc/71/84/69/394718469.db2.gz CNNPHRSBGNDWFW-AWEZNQCLSA-N 2 2 280.391 2.085 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000336565667 394864983 /nfs/dbraw/zinc/86/49/83/394864983.db2.gz GCOUAGUNMHYZBY-SMDDNHRTSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000336565667 394864985 /nfs/dbraw/zinc/86/49/85/394864985.db2.gz GCOUAGUNMHYZBY-SMDDNHRTSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000423360458 394900461 /nfs/dbraw/zinc/90/04/61/394900461.db2.gz LLRCZWGPQOBQQA-ZIBATOQPSA-N 2 2 261.344 2.346 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201052 394950319 /nfs/dbraw/zinc/95/03/19/394950319.db2.gz IDNRFNBJAJZDEK-RDJZCZTQSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201052 394950322 /nfs/dbraw/zinc/95/03/22/394950322.db2.gz IDNRFNBJAJZDEK-RDJZCZTQSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201052 394950325 /nfs/dbraw/zinc/95/03/25/394950325.db2.gz IDNRFNBJAJZDEK-RDJZCZTQSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201052 394950329 /nfs/dbraw/zinc/95/03/29/394950329.db2.gz IDNRFNBJAJZDEK-RDJZCZTQSA-N 2 2 288.439 2.148 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374307570 395080455 /nfs/dbraw/zinc/08/04/55/395080455.db2.gz SWQADWONNRMLFR-MRXNPFEDSA-N 2 2 298.434 2.423 20 30 CEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374307570 395080459 /nfs/dbraw/zinc/08/04/59/395080459.db2.gz SWQADWONNRMLFR-MRXNPFEDSA-N 2 2 298.434 2.423 20 30 CEEDLP C=CC[NH+]1CCC(NC(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287423144 395041604 /nfs/dbraw/zinc/04/16/04/395041604.db2.gz FZDICXLGPNSIMF-UHFFFAOYSA-N 2 2 288.395 2.470 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346823129 395108055 /nfs/dbraw/zinc/10/80/55/395108055.db2.gz CCPKESHOVODFRW-NVXWUHKLSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346823129 395108061 /nfs/dbraw/zinc/10/80/61/395108061.db2.gz CCPKESHOVODFRW-NVXWUHKLSA-N 2 2 290.407 2.190 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354330765 395326830 /nfs/dbraw/zinc/32/68/30/395326830.db2.gz PINBYIMPFOJWSE-IIAWOOMASA-N 2 2 294.439 2.204 20 30 CEEDLP C[N@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442714244 395391992 /nfs/dbraw/zinc/39/19/92/395391992.db2.gz YITVGHWXHXAZFI-HOTGVXAUSA-N 2 2 257.381 2.400 20 30 CEEDLP C[N@@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442714244 395391999 /nfs/dbraw/zinc/39/19/99/395391999.db2.gz YITVGHWXHXAZFI-HOTGVXAUSA-N 2 2 257.381 2.400 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443971172 395408088 /nfs/dbraw/zinc/40/80/88/395408088.db2.gz UESIYEUHXWPQPT-MRXNPFEDSA-N 2 2 257.381 2.441 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443971172 395408091 /nfs/dbraw/zinc/40/80/91/395408091.db2.gz UESIYEUHXWPQPT-MRXNPFEDSA-N 2 2 257.381 2.441 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000488423122 395668279 /nfs/dbraw/zinc/66/82/79/395668279.db2.gz VRGOQRZFNMFUOL-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000488423122 395668280 /nfs/dbraw/zinc/66/82/80/395668280.db2.gz VRGOQRZFNMFUOL-QGZVFWFLSA-N 2 2 299.418 2.021 20 30 CEEDLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](CC2CC2)CC1 ZINC000329984823 228006821 /nfs/dbraw/zinc/00/68/21/228006821.db2.gz CQTPSMXEKJDYCL-UHFFFAOYSA-N 2 2 276.384 2.173 20 30 CEEDLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000329984823 228006823 /nfs/dbraw/zinc/00/68/23/228006823.db2.gz CQTPSMXEKJDYCL-UHFFFAOYSA-N 2 2 276.384 2.173 20 30 CEEDLP C[NH+](C)CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356053522 228101856 /nfs/dbraw/zinc/10/18/56/228101856.db2.gz AEHNYRVQXWXDNY-UHFFFAOYSA-N 2 2 278.425 2.178 20 30 CEEDLP N#CCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000335981504 228174850 /nfs/dbraw/zinc/17/48/50/228174850.db2.gz UKNKFGNGQVHBFX-UHFFFAOYSA-N 2 2 254.337 2.460 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C#N)c1 ZINC000530217006 269845338 /nfs/dbraw/zinc/84/53/38/269845338.db2.gz DXWIXSBDSGWFOV-IUODEOHRSA-N 2 2 255.365 2.493 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264100271 262871172 /nfs/dbraw/zinc/87/11/72/262871172.db2.gz MPJDQWJRUQRQSC-LLVKDONJSA-N 2 2 273.384 2.048 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264130644 262877419 /nfs/dbraw/zinc/87/74/19/262877419.db2.gz XWVSWFPCQMIPLC-LBPRGKRZSA-N 2 2 268.430 2.007 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357047042 266238655 /nfs/dbraw/zinc/23/86/55/266238655.db2.gz IYGVQNGBBXRKNY-GDBMZVCRSA-N 2 2 272.392 2.293 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357047042 266238656 /nfs/dbraw/zinc/23/86/56/266238656.db2.gz IYGVQNGBBXRKNY-GDBMZVCRSA-N 2 2 272.392 2.293 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368221861 267154089 /nfs/dbraw/zinc/15/40/89/267154089.db2.gz JJMTWCKUEWOOKI-OAHLLOKOSA-N 2 2 295.386 2.459 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368221861 267154091 /nfs/dbraw/zinc/15/40/91/267154091.db2.gz JJMTWCKUEWOOKI-OAHLLOKOSA-N 2 2 295.386 2.459 20 30 CEEDLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423422866 267194535 /nfs/dbraw/zinc/19/45/35/267194535.db2.gz ZILXJHNEISALAM-SJORKVTESA-N 2 2 287.407 2.368 20 30 CEEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336560058 277064853 /nfs/dbraw/zinc/06/48/53/277064853.db2.gz LUTIUIOXSOVTRQ-ZBFHGGJFSA-N 2 2 255.365 2.229 20 30 CEEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336560058 277064851 /nfs/dbraw/zinc/06/48/51/277064851.db2.gz LUTIUIOXSOVTRQ-ZBFHGGJFSA-N 2 2 255.365 2.229 20 30 CEEDLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442640770 328499138 /nfs/dbraw/zinc/49/91/38/328499138.db2.gz BTLGXNBRUPGCNE-ULQDDVLXSA-N 2 2 271.408 2.441 20 30 CEEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)[nH+]1 ZINC000424182628 330320066 /nfs/dbraw/zinc/32/00/66/330320066.db2.gz UKLCFUAQLMAWDY-ZDUSSCGKSA-N 2 2 297.362 2.345 20 30 CEEDLP C=CCOc1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459655999 331292482 /nfs/dbraw/zinc/29/24/82/331292482.db2.gz GXYAJDMJVAJTEJ-UHFFFAOYSA-N 2 2 271.364 2.317 20 30 CEEDLP C=C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347764444 526906405 /nfs/dbraw/zinc/90/64/05/526906405.db2.gz BTIGUVBXKSDDCR-UHFFFAOYSA-N 2 2 251.399 2.357 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682250 574490743 /nfs/dbraw/zinc/49/07/43/574490743.db2.gz YIYPGGPQAAGKAM-DZGCQCFKSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682250 574490744 /nfs/dbraw/zinc/49/07/44/574490744.db2.gz YIYPGGPQAAGKAM-DZGCQCFKSA-N 2 2 285.391 2.304 20 30 CEEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237417 612958926 /nfs/dbraw/zinc/95/89/26/612958926.db2.gz ZFPDMVDOHIUELP-CVEARBPZSA-N 2 2 299.418 2.271 20 30 CEEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184429 613750734 /nfs/dbraw/zinc/75/07/34/613750734.db2.gz SZBQWCIPQQFYJZ-GXTWGEPZSA-N 2 2 298.390 2.189 20 30 CEEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942184429 613750735 /nfs/dbraw/zinc/75/07/35/613750735.db2.gz SZBQWCIPQQFYJZ-GXTWGEPZSA-N 2 2 298.390 2.189 20 30 CEEDLP CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1O ZINC000924538392 625634362 /nfs/dbraw/zinc/63/43/62/625634362.db2.gz JHFMPZPAOGCJIJ-AWEZNQCLSA-N 2 2 261.369 2.256 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000893011714 627943349 /nfs/dbraw/zinc/94/33/49/627943349.db2.gz MGBAMTJDWIUNAF-GOSISDBHSA-N 2 2 298.430 2.129 20 30 CEEDLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000902443820 634660137 /nfs/dbraw/zinc/66/01/37/634660137.db2.gz FAUWXAZAZQAQNZ-SECBINFHSA-N 2 2 287.392 2.028 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000817949774 633794846 /nfs/dbraw/zinc/79/48/46/633794846.db2.gz MRXYCSFVOREPLS-HOCLYGCPSA-N 2 2 272.392 2.491 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902819480 634841347 /nfs/dbraw/zinc/84/13/47/634841347.db2.gz UTKJVGBLPVKJLV-SGMGOOAPSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902819480 634841351 /nfs/dbraw/zinc/84/13/51/634841351.db2.gz UTKJVGBLPVKJLV-SGMGOOAPSA-N 2 2 258.369 2.087 20 30 CEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C#N)ccn1 ZINC000903009903 634937457 /nfs/dbraw/zinc/93/74/57/634937457.db2.gz GCFAEXRVPHGCSP-PRTUASRFSA-N 2 2 270.380 2.229 20 30 CEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C#N)ccn1 ZINC000903009903 634937459 /nfs/dbraw/zinc/93/74/59/634937459.db2.gz GCFAEXRVPHGCSP-PRTUASRFSA-N 2 2 270.380 2.229 20 30 CEEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000876929074 650490568 /nfs/dbraw/zinc/49/05/68/650490568.db2.gz GIGGEGNTJYFCFJ-NSHDSACASA-N 2 2 290.798 2.181 20 30 CEEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000876929074 650490569 /nfs/dbraw/zinc/49/05/69/650490569.db2.gz GIGGEGNTJYFCFJ-NSHDSACASA-N 2 2 290.798 2.181 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921701714 642547900 /nfs/dbraw/zinc/54/79/00/642547900.db2.gz BKZQUOMNABZKBY-UHFFFAOYSA-N 2 2 261.394 2.360 20 30 CEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001003294298 642923691 /nfs/dbraw/zinc/92/36/91/642923691.db2.gz XDEUWOLAURQGRL-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923532312 643752700 /nfs/dbraw/zinc/75/27/00/643752700.db2.gz BDGJXOWRGDHMDP-QGZVFWFLSA-N 2 2 269.392 2.319 20 30 CEEDLP N#Cc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923532312 643752702 /nfs/dbraw/zinc/75/27/02/643752702.db2.gz BDGJXOWRGDHMDP-QGZVFWFLSA-N 2 2 269.392 2.319 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740323 650883099 /nfs/dbraw/zinc/88/30/99/650883099.db2.gz RCNARHGHLYCBNA-QAPCUYQASA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740323 650883103 /nfs/dbraw/zinc/88/31/03/650883103.db2.gz RCNARHGHLYCBNA-QAPCUYQASA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740323 650883105 /nfs/dbraw/zinc/88/31/05/650883105.db2.gz RCNARHGHLYCBNA-QAPCUYQASA-N 2 2 298.434 2.150 20 30 CEEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740323 650883107 /nfs/dbraw/zinc/88/31/07/650883107.db2.gz RCNARHGHLYCBNA-QAPCUYQASA-N 2 2 298.434 2.150 20 30 CEEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000857235575 644865126 /nfs/dbraw/zinc/86/51/26/644865126.db2.gz UVIPROYMZRCCDS-INIZCTEOSA-N 2 2 298.390 2.263 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857914361 645009095 /nfs/dbraw/zinc/00/90/95/645009095.db2.gz UGQFFQAJYMZOTN-CYBMUJFWSA-N 2 2 277.799 2.267 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857914361 645009097 /nfs/dbraw/zinc/00/90/97/645009097.db2.gz UGQFFQAJYMZOTN-CYBMUJFWSA-N 2 2 277.799 2.267 20 30 CEEDLP CC[C@@H](C)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000764562881 645657315 /nfs/dbraw/zinc/65/73/15/645657315.db2.gz GPXFVSJMQRTCOR-GFCCVEGCSA-N 2 2 263.385 2.431 20 30 CEEDLP C[N@@H+]1CCCC[C@H]1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769378887 646255483 /nfs/dbraw/zinc/25/54/83/646255483.db2.gz VSNWLOCJXZFRGO-AWEZNQCLSA-N 2 2 279.359 2.337 20 30 CEEDLP C[N@H+]1CCCC[C@H]1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000769378887 646255486 /nfs/dbraw/zinc/25/54/86/646255486.db2.gz VSNWLOCJXZFRGO-AWEZNQCLSA-N 2 2 279.359 2.337 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775574785 646968589 /nfs/dbraw/zinc/96/85/89/646968589.db2.gz RSNMTYIOFACGMH-OALUTQOASA-N 2 2 298.430 2.421 20 30 CEEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000780554386 647443900 /nfs/dbraw/zinc/44/39/00/647443900.db2.gz JSGLCIIDFVLXNC-UHFFFAOYSA-N 2 2 289.342 2.429 20 30 CEEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCO1 ZINC000792287988 648635285 /nfs/dbraw/zinc/63/52/85/648635285.db2.gz XZPJJHSTXUHNDG-MSOLQXFVSA-N 2 2 295.386 2.451 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)nn2C)CC1 ZINC000793526645 648770293 /nfs/dbraw/zinc/77/02/93/648770293.db2.gz NFLMWVWHYXMODV-AWEZNQCLSA-N 2 2 276.428 2.420 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000883131346 652372729 /nfs/dbraw/zinc/37/27/29/652372729.db2.gz XECDEDVVKJJPID-UHFFFAOYSA-N 2 2 277.437 2.067 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000883131346 652372730 /nfs/dbraw/zinc/37/27/30/652372730.db2.gz XECDEDVVKJJPID-UHFFFAOYSA-N 2 2 277.437 2.067 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453103803 809036466 /nfs/dbraw/zinc/03/64/66/809036466.db2.gz SGUKLSCSZSLETA-CABCVRRESA-N 2 2 264.413 2.184 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118878 815307696 /nfs/dbraw/zinc/30/76/96/815307696.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118878 815307703 /nfs/dbraw/zinc/30/77/03/815307703.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118878 815307710 /nfs/dbraw/zinc/30/77/10/815307710.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001172118878 815307716 /nfs/dbraw/zinc/30/77/16/815307716.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118878 815307723 /nfs/dbraw/zinc/30/77/23/815307723.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118878 815307729 /nfs/dbraw/zinc/30/77/29/815307729.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118878 815307737 /nfs/dbraw/zinc/30/77/37/815307737.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001172118878 815307743 /nfs/dbraw/zinc/30/77/43/815307743.db2.gz RCNPMPFJIGOJCP-CBBWQLFWSA-N 2 2 292.448 2.276 20 30 CEEDLP C[NH+](C)C1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000709896505 809975228 /nfs/dbraw/zinc/97/52/28/809975228.db2.gz HKIFRMYVECOWJK-UHFFFAOYSA-N 2 2 257.381 2.474 20 30 CEEDLP Cc1[nH+]cn([C@@H](C)Cc2ccc(C#N)cc2)c1CC[NH3+] ZINC001172295519 815386190 /nfs/dbraw/zinc/38/61/90/815386190.db2.gz SLYXJVJQOUOVLD-LBPRGKRZSA-N 2 2 268.364 2.368 20 30 CEEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441658 812240274 /nfs/dbraw/zinc/24/02/74/812240274.db2.gz METOGXHIOUYDKV-MRXNPFEDSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231049 813235336 /nfs/dbraw/zinc/23/53/36/813235336.db2.gz ZCYBAKHVHTXXHX-UONOGXRCSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135913 813373475 /nfs/dbraw/zinc/37/34/75/813373475.db2.gz DBNCEERCJWAKTC-CABCVRRESA-N 2 2 292.427 2.112 20 30 CEEDLP C=CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610449 813448868 /nfs/dbraw/zinc/44/88/68/813448868.db2.gz UGGZGYBVDLQXCJ-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610449 813448873 /nfs/dbraw/zinc/44/88/73/813448873.db2.gz UGGZGYBVDLQXCJ-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP C#CCC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522112 814141386 /nfs/dbraw/zinc/14/13/86/814141386.db2.gz BXBYLJIYGPTJRA-UHFFFAOYSA-N 2 2 299.418 2.128 20 30 CEEDLP C[NH+]1CCC2(C[NH+](Cc3cc(F)c(C#N)c(F)c3)C2)CC1 ZINC001140756088 816346144 /nfs/dbraw/zinc/34/61/44/816346144.db2.gz FCQQJNIEIHRZSQ-UHFFFAOYSA-N 2 2 291.345 2.364 20 30 CEEDLP CCC#C[C@@H](C)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105286 816349868 /nfs/dbraw/zinc/34/98/68/816349868.db2.gz IVHDHAMWMKUASF-CQSZACIVSA-N 2 2 264.413 2.021 20 30 CEEDLP C#Cc1cc(Nc2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC001176289423 816379182 /nfs/dbraw/zinc/37/91/82/816379182.db2.gz IRLUPKUNTMQHTK-UHFFFAOYSA-N 2 2 251.333 2.290 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176828481 816478873 /nfs/dbraw/zinc/47/88/73/816478873.db2.gz BAKUIOWMEFGRKV-OAHLLOKOSA-N 2 2 292.427 2.114 20 30 CEEDLP C=C(C)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176032 816840461 /nfs/dbraw/zinc/84/04/61/816840461.db2.gz IESJTXVANLUAMT-UHFFFAOYSA-N 2 2 292.427 2.116 20 30 CEEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002089 346954727 /nfs/dbraw/zinc/95/47/27/346954727.db2.gz PJFLVWLCYFXPQD-GFCCVEGCSA-N 2 2 261.344 2.129 20 30 CEEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002089 346954730 /nfs/dbraw/zinc/95/47/30/346954730.db2.gz PJFLVWLCYFXPQD-GFCCVEGCSA-N 2 2 261.344 2.129 20 30 CEEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512389 344166453 /nfs/dbraw/zinc/16/64/53/344166453.db2.gz PAUSHYXXJFHBGG-JKSUJKDBSA-N 2 2 266.429 2.385 20 30 CEEDLP C=CCCC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512389 344166455 /nfs/dbraw/zinc/16/64/55/344166455.db2.gz PAUSHYXXJFHBGG-JKSUJKDBSA-N 2 2 266.429 2.385 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)C1CC1 ZINC000090047213 344134013 /nfs/dbraw/zinc/13/40/13/344134013.db2.gz URLHDRUNXQBGKA-ZBFHGGJFSA-N 2 2 266.429 2.432 20 30 CEEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)n1 ZINC000602477107 347051126 /nfs/dbraw/zinc/05/11/26/347051126.db2.gz QDWKOZCYMOOKMZ-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)n1 ZINC000602477107 347051130 /nfs/dbraw/zinc/05/11/30/347051130.db2.gz QDWKOZCYMOOKMZ-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)n1 ZINC000602477107 347051131 /nfs/dbraw/zinc/05/11/31/347051131.db2.gz QDWKOZCYMOOKMZ-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)n1 ZINC000602477107 347051135 /nfs/dbraw/zinc/05/11/35/347051135.db2.gz QDWKOZCYMOOKMZ-INIZCTEOSA-N 2 2 272.396 2.259 20 30 CEEDLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602511328 347061606 /nfs/dbraw/zinc/06/16/06/347061606.db2.gz OKPRTSRNEAGANS-UHFFFAOYSA-N 2 2 272.396 2.163 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000591573334 345265374 /nfs/dbraw/zinc/26/53/74/345265374.db2.gz MIYLMERTMRCZNB-YGRLFVJLSA-N 2 2 263.772 2.442 20 30 CEEDLP N#Cc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)cc1 ZINC000594033175 345569883 /nfs/dbraw/zinc/56/98/83/345569883.db2.gz IXDKQLIUSJWAMR-UHFFFAOYSA-N 2 2 266.348 2.424 20 30 CEEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000594435837 345629845 /nfs/dbraw/zinc/62/98/45/345629845.db2.gz AHBFWQKKCWLAEQ-AWEZNQCLSA-N 2 2 297.362 2.426 20 30 CEEDLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1C ZINC000594939530 345710870 /nfs/dbraw/zinc/71/08/70/345710870.db2.gz SBAXJKZQJSYZKN-INIZCTEOSA-N 2 2 266.348 2.377 20 30 CEEDLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C#N ZINC000597136616 346134058 /nfs/dbraw/zinc/13/40/58/346134058.db2.gz YRDJDQMYLSRXNI-UHFFFAOYSA-N 2 2 269.352 2.249 20 30 CEEDLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C#N ZINC000597136616 346134060 /nfs/dbraw/zinc/13/40/60/346134060.db2.gz YRDJDQMYLSRXNI-UHFFFAOYSA-N 2 2 269.352 2.249 20 30 CEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729905 /nfs/dbraw/zinc/72/99/05/347729905.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729907 /nfs/dbraw/zinc/72/99/07/347729907.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729909 /nfs/dbraw/zinc/72/99/09/347729909.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729913 /nfs/dbraw/zinc/72/99/13/347729913.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 2 272.396 2.115 20 30 CEEDLP N#Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000610994837 347730274 /nfs/dbraw/zinc/73/02/74/347730274.db2.gz SIQOQTGIRBOLOO-UHFFFAOYSA-N 2 2 267.336 2.056 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720152 180030804 /nfs/dbraw/zinc/03/08/04/180030804.db2.gz AYIAMRDARNBMDH-GDBMZVCRSA-N 2 2 272.392 2.271 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720152 180030806 /nfs/dbraw/zinc/03/08/06/180030806.db2.gz AYIAMRDARNBMDH-GDBMZVCRSA-N 2 2 272.392 2.271 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043436 180310522 /nfs/dbraw/zinc/31/05/22/180310522.db2.gz CSEKGOHCNYHLAZ-DOMZBBRYSA-N 2 2 259.353 2.067 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043436 180310524 /nfs/dbraw/zinc/31/05/24/180310524.db2.gz CSEKGOHCNYHLAZ-DOMZBBRYSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043436 180310526 /nfs/dbraw/zinc/31/05/26/180310526.db2.gz CSEKGOHCNYHLAZ-DOMZBBRYSA-N 2 2 259.353 2.067 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CC[C@@H]21 ZINC000092043436 180310528 /nfs/dbraw/zinc/31/05/28/180310528.db2.gz CSEKGOHCNYHLAZ-DOMZBBRYSA-N 2 2 259.353 2.067 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000177915602 189078786 /nfs/dbraw/zinc/07/87/86/189078786.db2.gz UEKHOOPMDNNYNP-ZDUSSCGKSA-N 2 2 276.428 2.420 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181089507 189288447 /nfs/dbraw/zinc/28/84/47/189288447.db2.gz LDVCRVBWBKXUGV-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181089507 189288448 /nfs/dbraw/zinc/28/84/48/189288448.db2.gz LDVCRVBWBKXUGV-UHFFFAOYSA-N 2 2 284.363 2.285 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000152974803 366722691 /nfs/dbraw/zinc/72/26/91/366722691.db2.gz DYZCVTCSYVRBNC-NVXWUHKLSA-N 3 2 279.472 2.347 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000152974803 366722694 /nfs/dbraw/zinc/72/26/94/366722694.db2.gz DYZCVTCSYVRBNC-NVXWUHKLSA-N 3 2 279.472 2.347 20 30 CEEDLP N#Cc1cccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000237847240 370754520 /nfs/dbraw/zinc/75/45/20/370754520.db2.gz SLDWTQOUVLFTMM-UHFFFAOYSA-N 2 2 289.342 2.429 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC000237885455 370757382 /nfs/dbraw/zinc/75/73/82/370757382.db2.gz INFACCZHOPBFDM-OAHLLOKOSA-N 2 2 266.348 2.168 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341322815 367285692 /nfs/dbraw/zinc/28/56/92/367285692.db2.gz OOHISIPOWDZZFP-OAHLLOKOSA-N 2 2 285.391 2.455 20 30 CEEDLP COCC#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412389 541547433 /nfs/dbraw/zinc/54/74/33/541547433.db2.gz MMOHMVXNKDVHCI-FUHWJXTLSA-N 2 2 286.419 2.136 20 30 CEEDLP COCC#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412389 541547436 /nfs/dbraw/zinc/54/74/36/541547436.db2.gz MMOHMVXNKDVHCI-FUHWJXTLSA-N 2 2 286.419 2.136 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000173904081 367957225 /nfs/dbraw/zinc/95/72/25/367957225.db2.gz GPOOKFZIZZPXCP-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000173904081 367957229 /nfs/dbraw/zinc/95/72/29/367957229.db2.gz GPOOKFZIZZPXCP-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000173904081 367957234 /nfs/dbraw/zinc/95/72/34/367957234.db2.gz GPOOKFZIZZPXCP-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000173904081 367957239 /nfs/dbraw/zinc/95/72/39/367957239.db2.gz GPOOKFZIZZPXCP-AWEZNQCLSA-N 2 2 257.381 2.332 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000345106357 368155665 /nfs/dbraw/zinc/15/56/65/368155665.db2.gz WVBPIEAZCKSOEN-AWEZNQCLSA-N 2 2 287.407 2.008 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000345106357 368155667 /nfs/dbraw/zinc/15/56/67/368155667.db2.gz WVBPIEAZCKSOEN-AWEZNQCLSA-N 2 2 287.407 2.008 20 30 CEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000346550532 368714969 /nfs/dbraw/zinc/71/49/69/368714969.db2.gz COHQXEIZOFYSLL-GJZGRUSLSA-N 2 2 279.428 2.017 20 30 CEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H](C)C1 ZINC000346550532 368714973 /nfs/dbraw/zinc/71/49/73/368714973.db2.gz COHQXEIZOFYSLL-GJZGRUSLSA-N 2 2 279.428 2.017 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192025384 369765517 /nfs/dbraw/zinc/76/55/17/369765517.db2.gz BSOOAADQSHUKHE-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192025384 369765519 /nfs/dbraw/zinc/76/55/19/369765519.db2.gz BSOOAADQSHUKHE-ZDUSSCGKSA-N 2 2 261.344 2.081 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638525583 370591731 /nfs/dbraw/zinc/59/17/31/370591731.db2.gz YYPOPSVLRZBAFV-CQSZACIVSA-N 2 2 289.423 2.261 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264068144 371961328 /nfs/dbraw/zinc/96/13/28/371961328.db2.gz BZJXKVIWDYTQKM-CQSZACIVSA-N 2 2 280.391 2.085 20 30 CEEDLP CCCNC(=[NH2+])NCCCn1c(C)[nH+]c2ccccc21 ZINC000264102002 371970889 /nfs/dbraw/zinc/97/08/89/371970889.db2.gz MXGLAWGKRNCFME-UHFFFAOYSA-N 2 2 273.384 2.049 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794527 372074775 /nfs/dbraw/zinc/07/47/75/372074775.db2.gz BJPXNKLJAWRMFH-WBAXXEDZSA-N 2 2 299.418 2.462 20 30 CEEDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794527 372074780 /nfs/dbraw/zinc/07/47/80/372074780.db2.gz BJPXNKLJAWRMFH-WBAXXEDZSA-N 2 2 299.418 2.462 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000268909089 372282200 /nfs/dbraw/zinc/28/22/00/372282200.db2.gz SOYXKSDBKLZVAT-CYBMUJFWSA-N 2 2 274.412 2.394 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367613427 373167586 /nfs/dbraw/zinc/16/75/86/373167586.db2.gz FNHXZXSCENXGGJ-KSZLIROESA-N 3 2 291.483 2.489 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367613427 373167596 /nfs/dbraw/zinc/16/75/96/373167596.db2.gz FNHXZXSCENXGGJ-KSZLIROESA-N 3 2 291.483 2.489 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000271203796 373180118 /nfs/dbraw/zinc/18/01/18/373180118.db2.gz RJONSLQOATXZPV-UHFFFAOYSA-N 2 2 256.309 2.254 20 30 CEEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000271940728 373227526 /nfs/dbraw/zinc/22/75/26/373227526.db2.gz OSHKUWXPWOBUTN-LLVKDONJSA-N 2 2 258.300 2.245 20 30 CEEDLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1C#N ZINC000369690421 373489626 /nfs/dbraw/zinc/48/96/26/373489626.db2.gz SWIOIBPUGDAXRO-OAHLLOKOSA-N 2 2 296.374 2.176 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272603594 373575909 /nfs/dbraw/zinc/57/59/09/373575909.db2.gz JIZUDKFLUNLRKJ-SJLPKXTDSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272603594 373575916 /nfs/dbraw/zinc/57/59/16/373575916.db2.gz JIZUDKFLUNLRKJ-SJLPKXTDSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272603594 373575922 /nfs/dbraw/zinc/57/59/22/373575922.db2.gz JIZUDKFLUNLRKJ-SJLPKXTDSA-N 2 2 284.403 2.225 20 30 CEEDLP C#CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272603594 373575928 /nfs/dbraw/zinc/57/59/28/373575928.db2.gz JIZUDKFLUNLRKJ-SJLPKXTDSA-N 2 2 284.403 2.225 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000272700205 373621887 /nfs/dbraw/zinc/62/18/87/373621887.db2.gz YMNLNHQUWLMRNR-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000272700205 373621896 /nfs/dbraw/zinc/62/18/96/373621896.db2.gz YMNLNHQUWLMRNR-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000272700205 373621901 /nfs/dbraw/zinc/62/19/01/373621901.db2.gz YMNLNHQUWLMRNR-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000272700205 373621906 /nfs/dbraw/zinc/62/19/06/373621906.db2.gz YMNLNHQUWLMRNR-GDBMZVCRSA-N 2 2 285.391 2.093 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000414114274 375795997 /nfs/dbraw/zinc/79/59/97/375795997.db2.gz LKZZFLGNEAFDHZ-ZDUSSCGKSA-N 2 2 262.401 2.111 20 30 CEEDLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+](C2CC2)CC1 ZINC000328711679 376882541 /nfs/dbraw/zinc/88/25/41/376882541.db2.gz CARZGBIIYMAYOM-LBPRGKRZSA-N 2 2 288.395 2.098 20 30 CEEDLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+](C2CC2)CC1 ZINC000328711679 376882552 /nfs/dbraw/zinc/88/25/52/376882552.db2.gz CARZGBIIYMAYOM-LBPRGKRZSA-N 2 2 288.395 2.098 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)CCC2 ZINC000328828477 376905998 /nfs/dbraw/zinc/90/59/98/376905998.db2.gz QRUBAHGYPQBAMO-QWHCGFSZSA-N 2 2 276.384 2.120 20 30 CEEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)CCC2 ZINC000328828477 376906004 /nfs/dbraw/zinc/90/60/04/376906004.db2.gz QRUBAHGYPQBAMO-QWHCGFSZSA-N 2 2 276.384 2.120 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000435726906 377809527 /nfs/dbraw/zinc/80/95/27/377809527.db2.gz CFLJAPVOYQJRHQ-NHIYQJMISA-N 2 2 264.413 2.182 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000435726906 377809532 /nfs/dbraw/zinc/80/95/32/377809532.db2.gz CFLJAPVOYQJRHQ-NHIYQJMISA-N 2 2 264.413 2.182 20 30 CEEDLP Cn1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C#N ZINC000190878885 130155784 /nfs/dbraw/zinc/15/57/84/130155784.db2.gz VMLSLDVDANKDMB-UHFFFAOYSA-N 2 2 293.374 2.495 20 30 CEEDLP Cc1[nH]c(C(=O)NC2CCC(C[NH+](C)C)CC2)c[nH+]1 ZINC000330435911 394608967 /nfs/dbraw/zinc/60/89/67/394608967.db2.gz AXEIWUIECXRTRO-UHFFFAOYSA-N 2 2 264.373 2.143 20 30 CEEDLP C#CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281906587 394873330 /nfs/dbraw/zinc/87/33/30/394873330.db2.gz BXXKDJCKIAKGMW-AWEZNQCLSA-N 2 2 257.381 2.422 20 30 CEEDLP C#CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281906587 394873331 /nfs/dbraw/zinc/87/33/31/394873331.db2.gz BXXKDJCKIAKGMW-AWEZNQCLSA-N 2 2 257.381 2.422 20 30 CEEDLP CC#CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282120113 394909505 /nfs/dbraw/zinc/90/95/05/394909505.db2.gz QOYVLLWTUCTEBQ-AWEZNQCLSA-N 2 2 257.381 2.422 20 30 CEEDLP CC#CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282120113 394909506 /nfs/dbraw/zinc/90/95/06/394909506.db2.gz QOYVLLWTUCTEBQ-AWEZNQCLSA-N 2 2 257.381 2.422 20 30 CEEDLP C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152407057 394996266 /nfs/dbraw/zinc/99/62/66/394996266.db2.gz OSDJWYLHMQVWJW-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152407057 394996267 /nfs/dbraw/zinc/99/62/67/394996267.db2.gz OSDJWYLHMQVWJW-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(F)cc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152407057 394996268 /nfs/dbraw/zinc/99/62/68/394996268.db2.gz OSDJWYLHMQVWJW-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(F)cc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152407057 394996269 /nfs/dbraw/zinc/99/62/69/394996269.db2.gz OSDJWYLHMQVWJW-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341883543 395008160 /nfs/dbraw/zinc/00/81/60/395008160.db2.gz FGYZACHJQHAPEC-JLZZUVOBSA-N 2 2 269.392 2.475 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341883543 395008164 /nfs/dbraw/zinc/00/81/64/395008164.db2.gz FGYZACHJQHAPEC-JLZZUVOBSA-N 2 2 269.392 2.475 20 30 CEEDLP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425205316 395052329 /nfs/dbraw/zinc/05/23/29/395052329.db2.gz IJBGWGFVXAXZRU-AWEZNQCLSA-N 2 2 260.385 2.072 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccccc1 ZINC000373819178 395066512 /nfs/dbraw/zinc/06/65/12/395066512.db2.gz UYEIJJBZDQLVFV-CEXWTWQISA-N 2 2 298.430 2.222 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccccc1 ZINC000373819178 395066516 /nfs/dbraw/zinc/06/65/16/395066516.db2.gz UYEIJJBZDQLVFV-CEXWTWQISA-N 2 2 298.430 2.222 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427106545 395092513 /nfs/dbraw/zinc/09/25/13/395092513.db2.gz FGNJEYYWICXXGN-ZBFHGGJFSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427106545 395092515 /nfs/dbraw/zinc/09/25/15/395092515.db2.gz FGNJEYYWICXXGN-ZBFHGGJFSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OC ZINC000347015480 395117435 /nfs/dbraw/zinc/11/74/35/395117435.db2.gz JNXHMVZIPVFQKR-CQSZACIVSA-N 2 2 276.380 2.183 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OC ZINC000347015480 395117441 /nfs/dbraw/zinc/11/74/41/395117441.db2.gz JNXHMVZIPVFQKR-CQSZACIVSA-N 2 2 276.380 2.183 20 30 CEEDLP N#CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000183183677 395253234 /nfs/dbraw/zinc/25/32/34/395253234.db2.gz BCUWANRFXZOCHE-UHFFFAOYSA-N 2 2 258.325 2.282 20 30 CEEDLP N#CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000183183677 395253238 /nfs/dbraw/zinc/25/32/38/395253238.db2.gz BCUWANRFXZOCHE-UHFFFAOYSA-N 2 2 258.325 2.282 20 30 CEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443955412 395406753 /nfs/dbraw/zinc/40/67/53/395406753.db2.gz CYEWISWVDBERTB-QGZVFWFLSA-N 2 2 287.407 2.067 20 30 CEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443955412 395406758 /nfs/dbraw/zinc/40/67/58/395406758.db2.gz CYEWISWVDBERTB-QGZVFWFLSA-N 2 2 287.407 2.067 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000444005911 395410904 /nfs/dbraw/zinc/41/09/04/395410904.db2.gz ZEADITFYUWCYCY-CXAGYDPISA-N 2 2 269.392 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1C#N ZINC000444005911 395410907 /nfs/dbraw/zinc/41/09/07/395410907.db2.gz ZEADITFYUWCYCY-CXAGYDPISA-N 2 2 269.392 2.439 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)CCCOC)C1 ZINC000651726303 401379054 /nfs/dbraw/zinc/37/90/54/401379054.db2.gz HYOANXVNKXQVAN-CABCVRRESA-N 2 2 254.418 2.289 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)CCCOC)C1 ZINC000651726303 401379057 /nfs/dbraw/zinc/37/90/57/401379057.db2.gz HYOANXVNKXQVAN-CABCVRRESA-N 2 2 254.418 2.289 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](CCOc1cccc(C#N)c1)CC2 ZINC000374984068 157034529 /nfs/dbraw/zinc/03/45/29/157034529.db2.gz WNGUNLVEWWMWCO-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](CCOc1cccc(C#N)c1)CC2 ZINC000374984068 157034534 /nfs/dbraw/zinc/03/45/34/157034534.db2.gz WNGUNLVEWWMWCO-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000037320412 173120642 /nfs/dbraw/zinc/12/06/42/173120642.db2.gz KABJXLYUWGWMOG-QWHCGFSZSA-N 2 2 254.337 2.494 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264101886 262871426 /nfs/dbraw/zinc/87/14/26/262871426.db2.gz OMLRVQYZOMHGSW-CMPLNLGQSA-N 2 2 268.430 2.054 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415070562 263259713 /nfs/dbraw/zinc/25/97/13/263259713.db2.gz QZABDHJJJVWIGT-OAHLLOKOSA-N 2 2 290.407 2.492 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357047047 266238649 /nfs/dbraw/zinc/23/86/49/266238649.db2.gz IYGVQNGBBXRKNY-GOEBONIOSA-N 2 2 272.392 2.293 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357047047 266238651 /nfs/dbraw/zinc/23/86/51/266238651.db2.gz IYGVQNGBBXRKNY-GOEBONIOSA-N 2 2 272.392 2.293 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000368028285 267138085 /nfs/dbraw/zinc/13/80/85/267138085.db2.gz CMFMDSHPMHDACD-MSOLQXFVSA-N 2 2 284.403 2.011 20 30 CEEDLP C#Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000368028285 267138087 /nfs/dbraw/zinc/13/80/87/267138087.db2.gz CMFMDSHPMHDACD-MSOLQXFVSA-N 2 2 284.403 2.011 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000368051487 267142998 /nfs/dbraw/zinc/14/29/98/267142998.db2.gz MZLHWLLGIRIVSQ-QGZVFWFLSA-N 2 2 271.408 2.293 20 30 CEEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368397910 267168961 /nfs/dbraw/zinc/16/89/61/267168961.db2.gz PTEFJIAQZDUYAJ-CQSZACIVSA-N 2 2 257.381 2.047 20 30 CEEDLP C=CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967200 267215240 /nfs/dbraw/zinc/21/52/40/267215240.db2.gz VRYVLGWUDUMUQQ-RISCZKNCSA-N 2 2 265.426 2.438 20 30 CEEDLP C=CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967200 267215242 /nfs/dbraw/zinc/21/52/42/267215242.db2.gz VRYVLGWUDUMUQQ-RISCZKNCSA-N 2 2 265.426 2.438 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423164506 267222250 /nfs/dbraw/zinc/22/22/50/267222250.db2.gz SRZJKOCGZSPYJZ-GJZGRUSLSA-N 2 2 261.344 2.318 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129498333 278306120 /nfs/dbraw/zinc/30/61/20/278306120.db2.gz GNXPJYLBNIYRPQ-NVXWUHKLSA-N 2 2 299.418 2.273 20 30 CEEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129498333 278306122 /nfs/dbraw/zinc/30/61/22/278306122.db2.gz GNXPJYLBNIYRPQ-NVXWUHKLSA-N 2 2 299.418 2.273 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535045060 298181776 /nfs/dbraw/zinc/18/17/76/298181776.db2.gz LDBRNZQUIHWUSY-OAHLLOKOSA-N 2 2 296.374 2.290 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535045060 298181778 /nfs/dbraw/zinc/18/17/78/298181778.db2.gz LDBRNZQUIHWUSY-OAHLLOKOSA-N 2 2 296.374 2.290 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000563417772 328063376 /nfs/dbraw/zinc/06/33/76/328063376.db2.gz LPFGJDWBFHMEKO-ZDUSSCGKSA-N 2 2 260.385 2.086 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449519379 330933314 /nfs/dbraw/zinc/93/33/14/330933314.db2.gz MDAFTZVWGKAZPL-KGLIPLIRSA-N 2 2 257.337 2.076 20 30 CEEDLP C#C[C@@H](CC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000491701684 332296017 /nfs/dbraw/zinc/29/60/17/332296017.db2.gz FOPVLCHDEAVMLI-NSHDSACASA-N 2 2 278.319 2.034 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)cc1 ZINC000491765429 332333922 /nfs/dbraw/zinc/33/39/22/332333922.db2.gz BWYUULUXKOJYQJ-KRWDZBQOSA-N 2 2 290.382 2.200 20 30 CEEDLP CC[C@H](CC#N)[NH2+]C[C@@H](C)C[NH2+][C@@H](CC)CC#N ZINC000580566958 335283514 /nfs/dbraw/zinc/28/35/14/335283514.db2.gz KTBVNURIUNZFRO-ZSOGYDGISA-N 2 2 250.390 2.186 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177697712 335379776 /nfs/dbraw/zinc/37/97/76/335379776.db2.gz NGUIFHCLVSCABF-UHFFFAOYSA-N 2 2 261.394 2.360 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC3)CC2)cc1 ZINC000181387622 526609803 /nfs/dbraw/zinc/60/98/03/526609803.db2.gz ONKAMQWOBSHZAU-UHFFFAOYSA-N 2 2 255.365 2.275 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000733328365 574664197 /nfs/dbraw/zinc/66/41/97/574664197.db2.gz PQYSNAVFJJRZJX-OAHLLOKOSA-N 2 2 270.376 2.025 20 30 CEEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000733328365 574664198 /nfs/dbraw/zinc/66/41/98/574664198.db2.gz PQYSNAVFJJRZJX-OAHLLOKOSA-N 2 2 270.376 2.025 20 30 CEEDLP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971789384 613286049 /nfs/dbraw/zinc/28/60/49/613286049.db2.gz MBHNMXGHZHPDEC-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971789384 613286051 /nfs/dbraw/zinc/28/60/51/613286051.db2.gz MBHNMXGHZHPDEC-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000069671193 622670506 /nfs/dbraw/zinc/67/05/06/622670506.db2.gz KYWQFFFNTYABOW-HUUCEWRRSA-N 2 2 287.407 2.147 20 30 CEEDLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903460187 635125944 /nfs/dbraw/zinc/12/59/44/635125944.db2.gz ZKCDEWIQUVUVRD-UHFFFAOYSA-N 2 2 251.761 2.253 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000178309028 627781685 /nfs/dbraw/zinc/78/16/85/627781685.db2.gz NQHLNVNUTPBLNQ-HNNXBMFYSA-N 2 2 272.392 2.445 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471976 634688068 /nfs/dbraw/zinc/68/80/68/634688068.db2.gz VZAIEFOWBZMXBI-QMCVQRASSA-N 2 2 267.376 2.418 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000925815030 628869806 /nfs/dbraw/zinc/86/98/06/628869806.db2.gz SJUWUCVEGIKCRJ-HUUCEWRRSA-N 2 2 261.344 2.447 20 30 CEEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000986279437 631224957 /nfs/dbraw/zinc/22/49/57/631224957.db2.gz KNQDUYDOBHNJFA-UKRRQHHQSA-N 2 2 298.390 2.021 20 30 CEEDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926961606 632388920 /nfs/dbraw/zinc/38/89/20/632388920.db2.gz JQWGLOGAALSEQH-XJKSGUPXSA-N 2 2 275.396 2.176 20 30 CEEDLP Nc1ccc2c(c1)C(=[NH+]NCC[NH+]1CCCCC1)CCC2 ZINC000814808951 632902181 /nfs/dbraw/zinc/90/21/81/632902181.db2.gz VRTOKQQEPCAKMA-UHFFFAOYSA-N 2 2 286.423 2.385 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000817949773 633794866 /nfs/dbraw/zinc/79/48/66/633794866.db2.gz MRXYCSFVOREPLS-GOEBONIOSA-N 2 2 272.392 2.491 20 30 CEEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819078306 634061381 /nfs/dbraw/zinc/06/13/81/634061381.db2.gz IOFRZCNASQCMNH-IRXDYDNUSA-N 2 2 287.407 2.056 20 30 CEEDLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903460187 635125941 /nfs/dbraw/zinc/12/59/41/635125941.db2.gz ZKCDEWIQUVUVRD-UHFFFAOYSA-N 2 2 251.761 2.253 20 30 CEEDLP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1(C[NH3+])CCOCC1 ZINC000903810013 635283680 /nfs/dbraw/zinc/28/36/80/635283680.db2.gz QPLJSRPRZAITPP-UHFFFAOYSA-N 2 2 293.798 2.151 20 30 CEEDLP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1(C[NH3+])CCOCC1 ZINC000903810013 635283682 /nfs/dbraw/zinc/28/36/82/635283682.db2.gz QPLJSRPRZAITPP-UHFFFAOYSA-N 2 2 293.798 2.151 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000828260061 636551875 /nfs/dbraw/zinc/55/18/75/636551875.db2.gz YXHOQNROAISFSB-UHFFFAOYSA-N 2 2 297.406 2.063 20 30 CEEDLP C#CC[N@H+](C)CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000828260061 636551879 /nfs/dbraw/zinc/55/18/79/636551879.db2.gz YXHOQNROAISFSB-UHFFFAOYSA-N 2 2 297.406 2.063 20 30 CEEDLP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842152947 639966962 /nfs/dbraw/zinc/96/69/62/639966962.db2.gz OCLLWMMFOXOWIP-KRWDZBQOSA-N 2 2 289.423 2.255 20 30 CEEDLP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842152947 639966963 /nfs/dbraw/zinc/96/69/63/639966963.db2.gz OCLLWMMFOXOWIP-KRWDZBQOSA-N 2 2 289.423 2.255 20 30 CEEDLP C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993510259 640651915 /nfs/dbraw/zinc/65/19/15/640651915.db2.gz UFKDCPXOPPJRAK-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC000993510259 640651917 /nfs/dbraw/zinc/65/19/17/640651917.db2.gz UFKDCPXOPPJRAK-OCCSQVGLSA-N 2 2 298.390 2.332 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000237575845 641353438 /nfs/dbraw/zinc/35/34/38/641353438.db2.gz MUJVGNFLCRHZAO-UKRRQHHQSA-N 2 2 273.380 2.161 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000237575845 641353444 /nfs/dbraw/zinc/35/34/44/641353444.db2.gz MUJVGNFLCRHZAO-UKRRQHHQSA-N 2 2 273.380 2.161 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000921689861 642534135 /nfs/dbraw/zinc/53/41/35/642534135.db2.gz IBKAXNOFLRDNJT-DLBZAZTESA-N 2 2 299.418 2.128 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000921689861 642534137 /nfs/dbraw/zinc/53/41/37/642534137.db2.gz IBKAXNOFLRDNJT-DLBZAZTESA-N 2 2 299.418 2.128 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000921689866 642534190 /nfs/dbraw/zinc/53/41/90/642534190.db2.gz IBKAXNOFLRDNJT-IRXDYDNUSA-N 2 2 299.418 2.128 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000921689866 642534194 /nfs/dbraw/zinc/53/41/94/642534194.db2.gz IBKAXNOFLRDNJT-IRXDYDNUSA-N 2 2 299.418 2.128 20 30 CEEDLP C#CCOCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000852014527 643266104 /nfs/dbraw/zinc/26/61/04/643266104.db2.gz DHMOVAXHPZIENO-OAHLLOKOSA-N 2 2 287.407 2.049 20 30 CEEDLP C#CCOCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000852014527 643266110 /nfs/dbraw/zinc/26/61/10/643266110.db2.gz DHMOVAXHPZIENO-OAHLLOKOSA-N 2 2 287.407 2.049 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858128156 645070103 /nfs/dbraw/zinc/07/01/03/645070103.db2.gz CIQRDJVIZFCWNA-UHFFFAOYSA-N 2 2 263.360 2.351 20 30 CEEDLP CCC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N)cc1 ZINC000863126985 646648046 /nfs/dbraw/zinc/64/80/46/646648046.db2.gz RRSNSVSZLJRCLB-UHFFFAOYSA-N 2 2 271.368 2.259 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000863542951 646752159 /nfs/dbraw/zinc/75/21/59/646752159.db2.gz IQCFMAWNFWFMGF-RRQGHBQHSA-N 2 2 272.392 2.490 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863546262 646754094 /nfs/dbraw/zinc/75/40/94/646754094.db2.gz HXERHXXRXTUEKG-DVOMOZLQSA-N 2 2 258.365 2.100 20 30 CEEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189035 647207678 /nfs/dbraw/zinc/20/76/78/647207678.db2.gz MELAJUQUTBUGMU-MRXNPFEDSA-N 2 2 295.386 2.390 20 30 CEEDLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866237754 647686911 /nfs/dbraw/zinc/68/69/11/647686911.db2.gz LJHURYRQMPJRGL-QWHCGFSZSA-N 2 2 273.380 2.256 20 30 CEEDLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866237754 647686913 /nfs/dbraw/zinc/68/69/13/647686913.db2.gz LJHURYRQMPJRGL-QWHCGFSZSA-N 2 2 273.380 2.256 20 30 CEEDLP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000872139847 649289786 /nfs/dbraw/zinc/28/97/86/649289786.db2.gz RBFLEFBBYMDBIU-ZOBUZTSGSA-N 2 2 276.424 2.021 20 30 CEEDLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000880472851 651446850 /nfs/dbraw/zinc/44/68/50/651446850.db2.gz GDGQOPUSTTVVGP-QGZVFWFLSA-N 2 2 299.418 2.152 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2nc1OC ZINC000883131220 652372794 /nfs/dbraw/zinc/37/27/94/652372794.db2.gz PHMCOEXEADVSDB-UHFFFAOYSA-N 2 2 297.402 2.288 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2nc1OC ZINC000883131220 652372796 /nfs/dbraw/zinc/37/27/96/652372796.db2.gz PHMCOEXEADVSDB-UHFFFAOYSA-N 2 2 297.402 2.288 20 30 CEEDLP C=C1CCC(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000724440825 803114826 /nfs/dbraw/zinc/11/48/26/803114826.db2.gz KPZHAZFABDJJDS-DZGCQCFKSA-N 2 2 252.402 2.089 20 30 CEEDLP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267203627 803229910 /nfs/dbraw/zinc/22/99/10/803229910.db2.gz HHHFTQGSKWSHLW-HNNXBMFYSA-N 2 2 292.427 2.094 20 30 CEEDLP C=C(C)C[N@H+](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267203627 803229915 /nfs/dbraw/zinc/22/99/15/803229915.db2.gz HHHFTQGSKWSHLW-HNNXBMFYSA-N 2 2 292.427 2.094 20 30 CEEDLP C#CCOc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236209365 808015681 /nfs/dbraw/zinc/01/56/81/808015681.db2.gz WUYCYJMJWNBHEE-QGZVFWFLSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CCOc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236209365 808015685 /nfs/dbraw/zinc/01/56/85/808015685.db2.gz WUYCYJMJWNBHEE-QGZVFWFLSA-N 2 2 272.392 2.273 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000701902822 809474185 /nfs/dbraw/zinc/47/41/85/809474185.db2.gz JTZQYPPGVAKBRX-LBPRGKRZSA-N 2 2 251.399 2.057 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000701902822 809474186 /nfs/dbraw/zinc/47/41/86/809474186.db2.gz JTZQYPPGVAKBRX-LBPRGKRZSA-N 2 2 251.399 2.057 20 30 CEEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001124 812524309 /nfs/dbraw/zinc/52/43/09/812524309.db2.gz CZSKQRTYWRIKTP-HNNXBMFYSA-N 2 2 292.427 2.142 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553761 813006060 /nfs/dbraw/zinc/00/60/60/813006060.db2.gz HZJNRIIRTQRMHB-CQSZACIVSA-N 2 2 298.390 2.105 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553761 813006067 /nfs/dbraw/zinc/00/60/67/813006067.db2.gz HZJNRIIRTQRMHB-CQSZACIVSA-N 2 2 298.390 2.105 20 30 CEEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169845 813979858 /nfs/dbraw/zinc/97/98/58/813979858.db2.gz ZOPKSDWCKAYNHX-MRXNPFEDSA-N 2 2 294.358 2.310 20 30 CEEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144169845 813979865 /nfs/dbraw/zinc/97/98/65/813979865.db2.gz ZOPKSDWCKAYNHX-MRXNPFEDSA-N 2 2 294.358 2.310 20 30 CEEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCn1cc[nH+]c1 ZINC001171176045 814059879 /nfs/dbraw/zinc/05/98/79/814059879.db2.gz OORASUCKTUKXOH-CQSZACIVSA-N 2 2 268.364 2.366 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206198627 815709006 /nfs/dbraw/zinc/70/90/06/815709006.db2.gz NBYKGMQCCBUCKX-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206198627 815709009 /nfs/dbraw/zinc/70/90/09/815709009.db2.gz NBYKGMQCCBUCKX-KGLIPLIRSA-N 2 2 281.762 2.473 20 30 CEEDLP C[N@@H+]1CCc2c(C#N)c(Nc3[nH]cc[nH+]3)sc2C1 ZINC001176079503 816335747 /nfs/dbraw/zinc/33/57/47/816335747.db2.gz KIUQFLJEYPZWIV-UHFFFAOYSA-N 2 2 259.338 2.074 20 30 CEEDLP C[N@H+]1CCc2c(C#N)c(Nc3[nH]cc[nH+]3)sc2C1 ZINC001176079503 816335753 /nfs/dbraw/zinc/33/57/53/816335753.db2.gz KIUQFLJEYPZWIV-UHFFFAOYSA-N 2 2 259.338 2.074 20 30 CEEDLP C=CCCOCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090884020 344145547 /nfs/dbraw/zinc/14/55/47/344145547.db2.gz MXJNFMZKXKOEFR-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506548 347060370 /nfs/dbraw/zinc/06/03/70/347060370.db2.gz DHFIMGYTOJCIAC-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506548 347060371 /nfs/dbraw/zinc/06/03/71/347060371.db2.gz DHFIMGYTOJCIAC-CABCVRRESA-N 2 2 279.428 2.159 20 30 CEEDLP C=CCOCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000348023547 344776358 /nfs/dbraw/zinc/77/63/58/344776358.db2.gz BCWPCWKJACKOEL-HNNXBMFYSA-N 2 2 263.385 2.249 20 30 CEEDLP C=CCOCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000348023547 344776360 /nfs/dbraw/zinc/77/63/60/344776360.db2.gz BCWPCWKJACKOEL-HNNXBMFYSA-N 2 2 263.385 2.249 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000531382348 344931121 /nfs/dbraw/zinc/93/11/21/344931121.db2.gz XGDBZVZNQIWYIF-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000531382348 344931126 /nfs/dbraw/zinc/93/11/26/344931126.db2.gz XGDBZVZNQIWYIF-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000531382348 344931128 /nfs/dbraw/zinc/93/11/28/344931128.db2.gz XGDBZVZNQIWYIF-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000531382348 344931132 /nfs/dbraw/zinc/93/11/32/344931132.db2.gz XGDBZVZNQIWYIF-HOTGVXAUSA-N 2 2 295.471 2.216 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596655874 346073270 /nfs/dbraw/zinc/07/32/70/346073270.db2.gz YYKDSGMSUCFXRA-PWZRNIHTSA-N 2 2 267.376 2.277 20 30 CEEDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598588429 346378532 /nfs/dbraw/zinc/37/85/32/346378532.db2.gz LQGWNTPUQBXIRL-HUUCEWRRSA-N 2 2 290.411 2.129 20 30 CEEDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598588429 346378535 /nfs/dbraw/zinc/37/85/35/346378535.db2.gz LQGWNTPUQBXIRL-HUUCEWRRSA-N 2 2 290.411 2.129 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000611243826 347757525 /nfs/dbraw/zinc/75/75/25/347757525.db2.gz ZXAUIENWLQOCNB-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000611243826 347757529 /nfs/dbraw/zinc/75/75/29/347757529.db2.gz ZXAUIENWLQOCNB-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404256654 233192410 /nfs/dbraw/zinc/19/24/10/233192410.db2.gz OOKSUJBFNNWJTC-LLVKDONJSA-N 2 2 258.300 2.072 20 30 CEEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271318693 191070799 /nfs/dbraw/zinc/07/07/99/191070799.db2.gz STCSVJRYVNDXCI-KKUMJFAQSA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271318693 191070802 /nfs/dbraw/zinc/07/08/02/191070802.db2.gz STCSVJRYVNDXCI-KKUMJFAQSA-N 2 2 263.385 2.093 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629393777 351347908 /nfs/dbraw/zinc/34/79/08/351347908.db2.gz BWXCWCHWECGOLN-HIFRSBDPSA-N 2 2 260.381 2.482 20 30 CEEDLP CCCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131500644 366060173 /nfs/dbraw/zinc/06/01/73/366060173.db2.gz FOIIOPUDPCHTAW-INIZCTEOSA-N 2 2 295.471 2.371 20 30 CEEDLP CCCCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131500644 366060178 /nfs/dbraw/zinc/06/01/78/366060178.db2.gz FOIIOPUDPCHTAW-INIZCTEOSA-N 2 2 295.471 2.371 20 30 CEEDLP N#Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(F)c1 ZINC000083430282 363772999 /nfs/dbraw/zinc/77/29/99/363772999.db2.gz HTUQEYXEYQSROC-UHFFFAOYSA-N 2 2 258.300 2.074 20 30 CEEDLP CC#CCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000155080828 366806927 /nfs/dbraw/zinc/80/69/27/366806927.db2.gz DNUUKUYQFMUECN-UHFFFAOYSA-N 2 2 286.423 2.444 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245445260 370821418 /nfs/dbraw/zinc/82/14/18/370821418.db2.gz KFORVRABSIWZRD-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245445260 370821421 /nfs/dbraw/zinc/82/14/21/370821421.db2.gz KFORVRABSIWZRD-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245445260 370821423 /nfs/dbraw/zinc/82/14/23/370821423.db2.gz KFORVRABSIWZRD-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245445260 370821426 /nfs/dbraw/zinc/82/14/26/370821426.db2.gz KFORVRABSIWZRD-CVEARBPZSA-N 2 2 295.471 2.073 20 30 CEEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648785 367793479 /nfs/dbraw/zinc/79/34/79/367793479.db2.gz ZRDKDPZEYVLWHL-OAHLLOKOSA-N 2 2 269.392 2.476 20 30 CEEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648785 367793483 /nfs/dbraw/zinc/79/34/83/367793483.db2.gz ZRDKDPZEYVLWHL-OAHLLOKOSA-N 2 2 269.392 2.476 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174362915 368014853 /nfs/dbraw/zinc/01/48/53/368014853.db2.gz FSRSENNTTFBWBS-UHFFFAOYSA-N 2 2 285.391 2.307 20 30 CEEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000346692805 368774527 /nfs/dbraw/zinc/77/45/27/368774527.db2.gz JCFFEDNXAQQUDA-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000346692805 368774530 /nfs/dbraw/zinc/77/45/30/368774530.db2.gz JCFFEDNXAQQUDA-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348048238 368874081 /nfs/dbraw/zinc/87/40/81/368874081.db2.gz KTLPYSGNXHYRAG-GJZGRUSLSA-N 2 2 263.385 2.359 20 30 CEEDLP C=CCOCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348048238 368874086 /nfs/dbraw/zinc/87/40/86/368874086.db2.gz KTLPYSGNXHYRAG-GJZGRUSLSA-N 2 2 263.385 2.359 20 30 CEEDLP N#Cc1csc(C[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000352804309 369885770 /nfs/dbraw/zinc/88/57/70/369885770.db2.gz WNISHYQNGHCYIH-UHFFFAOYSA-N 2 2 273.365 2.002 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000234979013 370552219 /nfs/dbraw/zinc/55/22/19/370552219.db2.gz IAKDFHLTJAYSDZ-WFASDCNBSA-N 2 2 273.380 2.126 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1C#N ZINC000234979013 370552221 /nfs/dbraw/zinc/55/22/21/370552221.db2.gz IAKDFHLTJAYSDZ-WFASDCNBSA-N 2 2 273.380 2.126 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000638523539 370590563 /nfs/dbraw/zinc/59/05/63/370590563.db2.gz BXAKFGNXPVAMHH-UHFFFAOYSA-N 2 2 251.399 2.273 20 30 CEEDLP C=C(CC)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000358516447 371099880 /nfs/dbraw/zinc/09/98/80/371099880.db2.gz ZZXDUCAFAXACQS-UHFFFAOYSA-N 2 2 261.369 2.178 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+](C)C ZINC000264062289 371959324 /nfs/dbraw/zinc/95/93/24/371959324.db2.gz DCOFBHBQDOMNGV-LLVKDONJSA-N 2 2 268.430 2.055 20 30 CEEDLP C[NH+]=C(NCCCn1c(C)[nH+]c2ccccc21)NC1CC1 ZINC000264070274 371960870 /nfs/dbraw/zinc/96/08/70/371960870.db2.gz RKFJULULSBNTSH-UHFFFAOYSA-N 2 2 285.395 2.062 20 30 CEEDLP CCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264069299 371961128 /nfs/dbraw/zinc/96/11/28/371961128.db2.gz FYXLOKKYZLZZCN-ZDUSSCGKSA-N 2 2 278.400 2.121 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264075182 371962757 /nfs/dbraw/zinc/96/27/57/371962757.db2.gz HDQPLDHZZUGDCL-ZDUSSCGKSA-N 2 2 285.395 2.134 20 30 CEEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264101889 371970643 /nfs/dbraw/zinc/97/06/43/371970643.db2.gz OMLRVQYZOMHGSW-PWSUYJOCSA-N 2 2 268.430 2.054 20 30 CEEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264124058 371973641 /nfs/dbraw/zinc/97/36/41/371973641.db2.gz RTPZSHBUDPNGRL-AWEZNQCLSA-N 2 2 292.427 2.367 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000365494029 372873020 /nfs/dbraw/zinc/87/30/20/372873020.db2.gz PWLQYHOYKYRBDR-KSZLIROESA-N 2 2 299.418 2.462 20 30 CEEDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000365494029 372873029 /nfs/dbraw/zinc/87/30/29/372873029.db2.gz PWLQYHOYKYRBDR-KSZLIROESA-N 2 2 299.418 2.462 20 30 CEEDLP C#CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000274112975 373814783 /nfs/dbraw/zinc/81/47/83/373814783.db2.gz FSQRSIADEOLVDR-INIZCTEOSA-N 2 2 297.402 2.112 20 30 CEEDLP C#CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000274112975 373814794 /nfs/dbraw/zinc/81/47/94/373814794.db2.gz FSQRSIADEOLVDR-INIZCTEOSA-N 2 2 297.402 2.112 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274350632 373890917 /nfs/dbraw/zinc/89/09/17/373890917.db2.gz KNVLNTOVGAAAOY-KBAYOESNSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000274350632 373890925 /nfs/dbraw/zinc/89/09/25/373890925.db2.gz KNVLNTOVGAAAOY-KBAYOESNSA-N 2 2 288.435 2.424 20 30 CEEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]CCC#N)CC2)c1 ZINC000566106571 377726942 /nfs/dbraw/zinc/72/69/42/377726942.db2.gz UHFLDWRDSKMYRX-UHFFFAOYSA-N 2 2 286.423 2.010 20 30 CEEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000566117891 377728440 /nfs/dbraw/zinc/72/84/40/377728440.db2.gz XUEPVNZYZGNTFT-ZIAGYGMSSA-N 2 2 264.417 2.386 20 30 CEEDLP N#C[C@@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000333067182 377752529 /nfs/dbraw/zinc/75/25/29/377752529.db2.gz JNVJSNAGYWCIMW-OLZOCXBDSA-N 2 2 258.369 2.044 20 30 CEEDLP C[N@H+](CCCCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000444629217 378077008 /nfs/dbraw/zinc/07/70/08/378077008.db2.gz VSDSFLFWMSBUMR-UHFFFAOYSA-N 2 2 281.444 2.095 20 30 CEEDLP C[N@@H+](CCCCC(C)(C)C#N)C1CC[NH+](CCO)CC1 ZINC000444629217 378077017 /nfs/dbraw/zinc/07/70/17/378077017.db2.gz VSDSFLFWMSBUMR-UHFFFAOYSA-N 2 2 281.444 2.095 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000299189802 378928722 /nfs/dbraw/zinc/92/87/22/378928722.db2.gz CKCIRBBXOKKOPB-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000299189802 378928731 /nfs/dbraw/zinc/92/87/31/378928731.db2.gz CKCIRBBXOKKOPB-ZBFHGGJFSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000520833184 379508494 /nfs/dbraw/zinc/50/84/94/379508494.db2.gz NUSQLBQGIOUVMN-CYBMUJFWSA-N 2 2 281.363 2.165 20 30 CEEDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1F ZINC000423370834 394904521 /nfs/dbraw/zinc/90/45/21/394904521.db2.gz UQLZYOFUONZTBU-ZETOZRRWSA-N 2 2 261.344 2.346 20 30 CEEDLP C=CCC[C@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285756024 394963275 /nfs/dbraw/zinc/96/32/75/394963275.db2.gz RXHITLHTLQZHSU-HNNXBMFYSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285756024 394963278 /nfs/dbraw/zinc/96/32/78/394963278.db2.gz RXHITLHTLQZHSU-HNNXBMFYSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285756024 394963281 /nfs/dbraw/zinc/96/32/81/394963281.db2.gz RXHITLHTLQZHSU-HNNXBMFYSA-N 2 2 280.412 2.360 20 30 CEEDLP C=CCC[C@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285756024 394963283 /nfs/dbraw/zinc/96/32/83/394963283.db2.gz RXHITLHTLQZHSU-HNNXBMFYSA-N 2 2 280.412 2.360 20 30 CEEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000373187139 395056159 /nfs/dbraw/zinc/05/61/59/395056159.db2.gz KHWHAHZKVOFKFW-NCOADZHNSA-N 2 2 291.439 2.159 20 30 CEEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289634257 395082059 /nfs/dbraw/zinc/08/20/59/395082059.db2.gz FHLRKUPXHDWLMI-AWEZNQCLSA-N 2 2 294.826 2.441 20 30 CEEDLP C[N@H+](CCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372519220 395043144 /nfs/dbraw/zinc/04/31/44/395043144.db2.gz ADLLFAKYIDPXFZ-HOTGVXAUSA-N 2 2 272.396 2.310 20 30 CEEDLP C[N@@H+](CCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372519220 395043148 /nfs/dbraw/zinc/04/31/48/395043148.db2.gz ADLLFAKYIDPXFZ-HOTGVXAUSA-N 2 2 272.396 2.310 20 30 CEEDLP C[NH+](CCCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372519220 395043150 /nfs/dbraw/zinc/04/31/50/395043150.db2.gz ADLLFAKYIDPXFZ-HOTGVXAUSA-N 2 2 272.396 2.310 20 30 CEEDLP C[NH+](CCCC#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372519220 395043152 /nfs/dbraw/zinc/04/31/52/395043152.db2.gz ADLLFAKYIDPXFZ-HOTGVXAUSA-N 2 2 272.396 2.310 20 30 CEEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1OC ZINC000346995644 395116504 /nfs/dbraw/zinc/11/65/04/395116504.db2.gz CDZAMPNYSLVTHO-UHFFFAOYSA-N 2 2 290.407 2.444 20 30 CEEDLP CC(C[NH+]1CCC(C#N)CC1)C[NH+]1CCC(C#N)CC1 ZINC000408191028 395293374 /nfs/dbraw/zinc/29/33/74/395293374.db2.gz CIEZHAJDMSTVNH-UHFFFAOYSA-N 2 2 274.412 2.094 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000534579644 395463051 /nfs/dbraw/zinc/46/30/51/395463051.db2.gz ZFAMXVLCTQMYAN-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000534579644 395463054 /nfs/dbraw/zinc/46/30/54/395463054.db2.gz ZFAMXVLCTQMYAN-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC000192137003 153205362 /nfs/dbraw/zinc/20/53/62/153205362.db2.gz OBSJNMKGFREPDS-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)c(F)c1 ZINC000192137003 153205365 /nfs/dbraw/zinc/20/53/65/153205365.db2.gz OBSJNMKGFREPDS-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C=CCCn1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)nn1 ZINC000657433566 414934565 /nfs/dbraw/zinc/93/45/65/414934565.db2.gz VITOYIJUXPFGHQ-OAHLLOKOSA-N 2 2 291.443 2.208 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000078507061 177348213 /nfs/dbraw/zinc/34/82/13/177348213.db2.gz KGVYXTMWOYAERU-GASCZTMLSA-N 2 2 287.407 2.147 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000078507061 177348214 /nfs/dbraw/zinc/34/82/14/177348214.db2.gz KGVYXTMWOYAERU-GASCZTMLSA-N 2 2 287.407 2.147 20 30 CEEDLP C=C(Cl)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000163372329 262399767 /nfs/dbraw/zinc/39/97/67/262399767.db2.gz YMRKQEFZMGHPJM-UHFFFAOYSA-N 2 2 251.761 2.393 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414942145 263151902 /nfs/dbraw/zinc/15/19/02/263151902.db2.gz ZKXMQWNKZMEXMJ-HIFRSBDPSA-N 2 2 290.407 2.348 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000414945887 263155080 /nfs/dbraw/zinc/15/50/80/263155080.db2.gz RESUVUKIWHTJPI-JTQLQIEISA-N 2 2 254.761 2.342 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000414843998 328234196 /nfs/dbraw/zinc/23/41/96/328234196.db2.gz KJRQUCUDHKXTKX-CQSZACIVSA-N 2 2 276.380 2.102 20 30 CEEDLP C#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000378000631 329036764 /nfs/dbraw/zinc/03/67/64/329036764.db2.gz JQFMCLRZDRGNKK-NVXWUHKLSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000378000631 329036766 /nfs/dbraw/zinc/03/67/66/329036766.db2.gz JQFMCLRZDRGNKK-NVXWUHKLSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000378000631 329036768 /nfs/dbraw/zinc/03/67/68/329036768.db2.gz JQFMCLRZDRGNKK-NVXWUHKLSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000378000631 329036770 /nfs/dbraw/zinc/03/67/70/329036770.db2.gz JQFMCLRZDRGNKK-NVXWUHKLSA-N 2 2 256.393 2.462 20 30 CEEDLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000360055903 329070683 /nfs/dbraw/zinc/07/06/83/329070683.db2.gz GCYCVXHYUWYKJQ-QXSJWSMHSA-N 2 2 279.428 2.158 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000121275237 330399233 /nfs/dbraw/zinc/39/92/33/330399233.db2.gz BSQSYLIVNFAWPK-HOCLYGCPSA-N 2 2 266.429 2.289 20 30 CEEDLP C=C(CC)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728214 333453736 /nfs/dbraw/zinc/45/37/36/333453736.db2.gz ZLEYVKLDQIOSSC-UHFFFAOYSA-N 2 2 252.402 2.139 20 30 CEEDLP Cc1[nH+]ccn1CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865356 334177460 /nfs/dbraw/zinc/17/74/60/334177460.db2.gz DWCZUBYHFDRMSQ-UHFFFAOYSA-N 2 2 295.390 2.144 20 30 CEEDLP CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000573250103 334921661 /nfs/dbraw/zinc/92/16/61/334921661.db2.gz ZJVOWYLCXAWPJO-HOTGVXAUSA-N 2 2 257.381 2.373 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@H](C)O)C(C)C ZINC000577502877 335360639 /nfs/dbraw/zinc/36/06/39/335360639.db2.gz IASSPXGCHDPYPD-RBSFLKMASA-N 2 2 254.418 2.044 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(C#N)cc1 ZINC000177345022 527899608 /nfs/dbraw/zinc/89/96/08/527899608.db2.gz HTHSRBWBUXPZFO-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(C#N)cc1 ZINC000177345022 527899617 /nfs/dbraw/zinc/89/96/17/527899617.db2.gz HTHSRBWBUXPZFO-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000177345022 527899626 /nfs/dbraw/zinc/89/96/26/527899626.db2.gz HTHSRBWBUXPZFO-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(C#N)cc1 ZINC000177345022 527899632 /nfs/dbraw/zinc/89/96/32/527899632.db2.gz HTHSRBWBUXPZFO-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP C=C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000750045002 575244631 /nfs/dbraw/zinc/24/46/31/575244631.db2.gz LHWYQOIDMNEKMT-UHFFFAOYSA-N 2 2 254.337 2.419 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364987 634619637 /nfs/dbraw/zinc/61/96/37/634619637.db2.gz VZFHNWACOWZVQP-INIZCTEOSA-N 3 2 279.472 2.395 20 30 CEEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCN1c1cc[nH+]cc1 ZINC000895556598 630247359 /nfs/dbraw/zinc/24/73/59/630247359.db2.gz LIGZGNLIKGJIHI-CQSZACIVSA-N 2 2 293.374 2.059 20 30 CEEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCN1c1cc[nH+]cc1 ZINC000895556598 630247361 /nfs/dbraw/zinc/24/73/61/630247361.db2.gz LIGZGNLIKGJIHI-CQSZACIVSA-N 2 2 293.374 2.059 20 30 CEEDLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902728528 634798178 /nfs/dbraw/zinc/79/81/78/634798178.db2.gz VZINQEHBWHPJSJ-CYBMUJFWSA-N 2 2 272.396 2.478 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742542 634806282 /nfs/dbraw/zinc/80/62/82/634806282.db2.gz RXNWABRRUZKSJV-TZMCWYRMSA-N 2 2 270.380 2.088 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(C#N)ccn1 ZINC000902742542 634806285 /nfs/dbraw/zinc/80/62/85/634806285.db2.gz RXNWABRRUZKSJV-TZMCWYRMSA-N 2 2 270.380 2.088 20 30 CEEDLP C#Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000809603456 632109122 /nfs/dbraw/zinc/10/91/22/632109122.db2.gz PNZSYBYPLQRGMB-IYBDPMFKSA-N 2 2 286.419 2.257 20 30 CEEDLP C#Cc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000809603456 632109127 /nfs/dbraw/zinc/10/91/27/632109127.db2.gz PNZSYBYPLQRGMB-IYBDPMFKSA-N 2 2 286.419 2.257 20 30 CEEDLP C=CC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814171650 632797671 /nfs/dbraw/zinc/79/76/71/632797671.db2.gz SOOFADOTIMTGLC-UHFFFAOYSA-N 2 2 298.434 2.340 20 30 CEEDLP C=CC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814171650 632797675 /nfs/dbraw/zinc/79/76/75/632797675.db2.gz SOOFADOTIMTGLC-UHFFFAOYSA-N 2 2 298.434 2.340 20 30 CEEDLP C#C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000848912792 642187380 /nfs/dbraw/zinc/18/73/80/642187380.db2.gz VXZLGFAANUKDPP-JKSUJKDBSA-N 2 2 278.440 2.267 20 30 CEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000877634267 650824758 /nfs/dbraw/zinc/82/47/58/650824758.db2.gz GRJYYUWTXHLPSC-UHFFFAOYSA-N 2 2 287.432 2.228 20 30 CEEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744580 650890076 /nfs/dbraw/zinc/89/00/76/650890076.db2.gz VQLUQAOORMBKQP-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744580 650890079 /nfs/dbraw/zinc/89/00/79/650890079.db2.gz VQLUQAOORMBKQP-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744580 650890082 /nfs/dbraw/zinc/89/00/82/650890082.db2.gz VQLUQAOORMBKQP-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000877744580 650890084 /nfs/dbraw/zinc/89/00/84/650890084.db2.gz VQLUQAOORMBKQP-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CC[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862447726 646465695 /nfs/dbraw/zinc/46/56/95/646465695.db2.gz PKXNYYZWEVLQPQ-LBPRGKRZSA-N 2 2 263.410 2.050 20 30 CEEDLP C#CC[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862447726 646465700 /nfs/dbraw/zinc/46/57/00/646465700.db2.gz PKXNYYZWEVLQPQ-LBPRGKRZSA-N 2 2 263.410 2.050 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000863543404 646751771 /nfs/dbraw/zinc/75/17/71/646751771.db2.gz OBDSEPMCRQBZPJ-VBNZEHGJSA-N 2 2 273.380 2.380 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866263929 647702430 /nfs/dbraw/zinc/70/24/30/647702430.db2.gz VLCOHLDZIQFCEZ-CHWSQXEVSA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866263929 647702433 /nfs/dbraw/zinc/70/24/33/647702433.db2.gz VLCOHLDZIQFCEZ-CHWSQXEVSA-N 2 2 273.380 2.256 20 30 CEEDLP C#C[C@](C)(CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878661192 651156368 /nfs/dbraw/zinc/15/63/68/651156368.db2.gz ZVCGJBHGWJWPHM-QZTJIDSGSA-N 2 2 286.419 2.015 20 30 CEEDLP C#C[C@](C)(CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878661192 651156370 /nfs/dbraw/zinc/15/63/70/651156370.db2.gz ZVCGJBHGWJWPHM-QZTJIDSGSA-N 2 2 286.419 2.015 20 30 CEEDLP C#C[C@@](C)(CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878661194 651156539 /nfs/dbraw/zinc/15/65/39/651156539.db2.gz ZVCGJBHGWJWPHM-ZWKOTPCHSA-N 2 2 286.419 2.015 20 30 CEEDLP C#C[C@@](C)(CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878661194 651156541 /nfs/dbraw/zinc/15/65/41/651156541.db2.gz ZVCGJBHGWJWPHM-ZWKOTPCHSA-N 2 2 286.419 2.015 20 30 CEEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206523 651401528 /nfs/dbraw/zinc/40/15/28/651401528.db2.gz HAIGFNIZCNYDJX-OAHLLOKOSA-N 2 2 252.402 2.186 20 30 CEEDLP C=C(C)CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206523 651401529 /nfs/dbraw/zinc/40/15/29/651401529.db2.gz HAIGFNIZCNYDJX-OAHLLOKOSA-N 2 2 252.402 2.186 20 30 CEEDLP C=CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001268211419 804545233 /nfs/dbraw/zinc/54/52/33/804545233.db2.gz MKEGMHQYHWELMA-OAHLLOKOSA-N 2 2 286.379 2.093 20 30 CEEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272081 809568827 /nfs/dbraw/zinc/56/88/27/809568827.db2.gz RCDNLDFYUHDPLN-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272081 809568832 /nfs/dbraw/zinc/56/88/32/809568832.db2.gz RCDNLDFYUHDPLN-AWEZNQCLSA-N 2 2 298.390 2.333 20 30 CEEDLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000706252325 809810859 /nfs/dbraw/zinc/81/08/59/809810859.db2.gz DXNIGKUJABTAMY-CALCHBBNSA-N 2 2 269.392 2.332 20 30 CEEDLP C[N@H+]1C[C@]2(C)C[NH+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000706252325 809810865 /nfs/dbraw/zinc/81/08/65/809810865.db2.gz DXNIGKUJABTAMY-CALCHBBNSA-N 2 2 269.392 2.332 20 30 CEEDLP C[NH+]1C[C@]2(C)C[N@H+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000706252325 809810872 /nfs/dbraw/zinc/81/08/72/809810872.db2.gz DXNIGKUJABTAMY-CALCHBBNSA-N 2 2 269.392 2.332 20 30 CEEDLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000706252325 809810875 /nfs/dbraw/zinc/81/08/75/809810875.db2.gz DXNIGKUJABTAMY-CALCHBBNSA-N 2 2 269.392 2.332 20 30 CEEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441657 812241075 /nfs/dbraw/zinc/24/10/75/812241075.db2.gz METOGXHIOUYDKV-INIZCTEOSA-N 2 2 295.471 2.073 20 30 CEEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144086417 813947184 /nfs/dbraw/zinc/94/71/84/813947184.db2.gz SBTIHWHFOONDHO-MRXNPFEDSA-N 2 2 294.358 2.310 20 30 CEEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144086417 813947188 /nfs/dbraw/zinc/94/71/88/813947188.db2.gz SBTIHWHFOONDHO-MRXNPFEDSA-N 2 2 294.358 2.310 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152633 814000348 /nfs/dbraw/zinc/00/03/48/814000348.db2.gz RGCQOSUYOLZVQB-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152633 814000357 /nfs/dbraw/zinc/00/03/57/814000357.db2.gz RGCQOSUYOLZVQB-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001171178578 814059253 /nfs/dbraw/zinc/05/92/53/814059253.db2.gz HFISRFZKKLRYLZ-XJKSGUPXSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001171178578 814059262 /nfs/dbraw/zinc/05/92/62/814059262.db2.gz HFISRFZKKLRYLZ-XJKSGUPXSA-N 2 2 257.381 2.173 20 30 CEEDLP C[C@@H](Cc1cccc(C#N)c1)n1cc[nH+]c1CC[NH3+] ZINC001171181201 814067965 /nfs/dbraw/zinc/06/79/65/814067965.db2.gz HTBGACBQKFDMKI-LBPRGKRZSA-N 2 2 254.337 2.060 20 30 CEEDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(C#N)c3)C[C@@H]2C1 ZINC001139727469 816096519 /nfs/dbraw/zinc/09/65/19/816096519.db2.gz RUIBPHQEVBIWOU-CALCHBBNSA-N 2 2 269.392 2.250 20 30 CEEDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(C#N)c3)C[C@@H]2C1 ZINC001139727469 816096527 /nfs/dbraw/zinc/09/65/27/816096527.db2.gz RUIBPHQEVBIWOU-CALCHBBNSA-N 2 2 269.392 2.250 20 30 CEEDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]2C1 ZINC001139727469 816096530 /nfs/dbraw/zinc/09/65/30/816096530.db2.gz RUIBPHQEVBIWOU-CALCHBBNSA-N 2 2 269.392 2.250 20 30 CEEDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]2C1 ZINC001139727469 816096538 /nfs/dbraw/zinc/09/65/38/816096538.db2.gz RUIBPHQEVBIWOU-CALCHBBNSA-N 2 2 269.392 2.250 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)ccc1F ZINC000124390949 187135737 /nfs/dbraw/zinc/13/57/37/187135737.db2.gz ARWLCQDVMCHTRY-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C#N)ccc1F ZINC000124390949 187135738 /nfs/dbraw/zinc/13/57/38/187135738.db2.gz ARWLCQDVMCHTRY-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000601968581 346946178 /nfs/dbraw/zinc/94/61/78/346946178.db2.gz OUQLSAGAKBQSLG-GOEBONIOSA-N 2 2 257.381 2.258 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000601968581 346946180 /nfs/dbraw/zinc/94/61/80/346946180.db2.gz OUQLSAGAKBQSLG-GOEBONIOSA-N 2 2 257.381 2.258 20 30 CEEDLP N#Cc1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCC2)cc1 ZINC000602023619 346963616 /nfs/dbraw/zinc/96/36/16/346963616.db2.gz YSWFYYIKOWZXEL-UHFFFAOYSA-N 2 2 267.376 2.279 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000602570969 347082709 /nfs/dbraw/zinc/08/27/09/347082709.db2.gz VMPXSYBMFXKLFN-RBSFLKMASA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000602570969 347082711 /nfs/dbraw/zinc/08/27/11/347082711.db2.gz VMPXSYBMFXKLFN-RBSFLKMASA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693387 345522124 /nfs/dbraw/zinc/52/21/24/345522124.db2.gz WZVJUDQUBWXAHN-RDTXWAMCSA-N 2 2 299.418 2.290 20 30 CEEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000594504401 345639745 /nfs/dbraw/zinc/63/97/45/345639745.db2.gz MJNHHBWEAIEJJA-RDTXWAMCSA-N 2 2 299.418 2.462 20 30 CEEDLP CC1(C#N)CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000594993797 345723267 /nfs/dbraw/zinc/72/32/67/345723267.db2.gz QRHLMJIPDNHGFR-ARWYELJZSA-N 2 2 291.439 2.302 20 30 CEEDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890737 345907566 /nfs/dbraw/zinc/90/75/66/345907566.db2.gz FITAHWQVPYGPAV-VIFPVBQESA-N 2 2 271.286 2.356 20 30 CEEDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890737 345907568 /nfs/dbraw/zinc/90/75/68/345907568.db2.gz FITAHWQVPYGPAV-VIFPVBQESA-N 2 2 271.286 2.356 20 30 CEEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596655873 346073462 /nfs/dbraw/zinc/07/34/62/346073462.db2.gz YYKDSGMSUCFXRA-BLDCVEFLSA-N 2 2 267.376 2.277 20 30 CEEDLP N#CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597176956 346142093 /nfs/dbraw/zinc/14/20/93/346142093.db2.gz KBIAUGMJGNOYOX-AWEZNQCLSA-N 2 2 281.363 2.393 20 30 CEEDLP N#CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597176956 346142095 /nfs/dbraw/zinc/14/20/95/346142095.db2.gz KBIAUGMJGNOYOX-AWEZNQCLSA-N 2 2 281.363 2.393 20 30 CEEDLP C[N@@H+](Cc1cccc(OCCCC#N)c1)CC1C[NH+](C)C1 ZINC000597203789 346148397 /nfs/dbraw/zinc/14/83/97/346148397.db2.gz XGJODBCXNBICKD-UHFFFAOYSA-N 2 2 287.407 2.363 20 30 CEEDLP C[N@H+](Cc1cccc(OCCCC#N)c1)CC1C[NH+](C)C1 ZINC000597203789 346148400 /nfs/dbraw/zinc/14/84/00/346148400.db2.gz XGJODBCXNBICKD-UHFFFAOYSA-N 2 2 287.407 2.363 20 30 CEEDLP C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000598598795 346381469 /nfs/dbraw/zinc/38/14/69/346381469.db2.gz VWSOIBSXOMHMCJ-KFWWJZLASA-N 2 2 290.411 2.067 20 30 CEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000598598795 346381473 /nfs/dbraw/zinc/38/14/73/346381473.db2.gz VWSOIBSXOMHMCJ-KFWWJZLASA-N 2 2 290.411 2.067 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000600721015 346678162 /nfs/dbraw/zinc/67/81/62/346678162.db2.gz JWRDGPBWZQSCRW-CYBMUJFWSA-N 2 2 298.390 2.140 20 30 CEEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713701 347166451 /nfs/dbraw/zinc/16/64/51/347166451.db2.gz QCLQGGAQPBKUJJ-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602713701 347166455 /nfs/dbraw/zinc/16/64/55/347166455.db2.gz QCLQGGAQPBKUJJ-HUUCEWRRSA-N 2 2 279.428 2.159 20 30 CEEDLP N#Cc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)nc1 ZINC000602905752 347243766 /nfs/dbraw/zinc/24/37/66/347243766.db2.gz ALEHKWHVOPXFMY-UHFFFAOYSA-N 2 2 295.390 2.419 20 30 CEEDLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000603432528 347369221 /nfs/dbraw/zinc/36/92/21/347369221.db2.gz MWEHVXKXSVHPOK-KRWDZBQOSA-N 2 2 289.423 2.049 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1C1CC1 ZINC000404674751 233194334 /nfs/dbraw/zinc/19/43/34/233194334.db2.gz FSQCJKDBSBOUEC-SMDDNHRTSA-N 2 2 273.355 2.412 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1C1CC1 ZINC000404674751 233194336 /nfs/dbraw/zinc/19/43/36/233194336.db2.gz FSQCJKDBSBOUEC-SMDDNHRTSA-N 2 2 273.355 2.412 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629393445 351348014 /nfs/dbraw/zinc/34/80/14/351348014.db2.gz AHINRMPLXHHKSZ-DZGCQCFKSA-N 2 2 290.407 2.490 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064104 198149723 /nfs/dbraw/zinc/14/97/23/198149723.db2.gz CXHWVSUDYLOMSD-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064104 198149724 /nfs/dbraw/zinc/14/97/24/198149724.db2.gz CXHWVSUDYLOMSD-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064104 198149725 /nfs/dbraw/zinc/14/97/25/198149725.db2.gz CXHWVSUDYLOMSD-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064104 198149727 /nfs/dbraw/zinc/14/97/27/198149727.db2.gz CXHWVSUDYLOMSD-MRXNPFEDSA-N 2 2 273.355 2.225 20 30 CEEDLP C#CCSCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000152927833 188053676 /nfs/dbraw/zinc/05/36/76/188053676.db2.gz SJQFVAANTGQUJV-UHFFFAOYSA-N 2 2 271.389 2.328 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000152990327 188057720 /nfs/dbraw/zinc/05/77/20/188057720.db2.gz JIUMKTPYJQTNRX-ZDUSSCGKSA-N 2 2 262.401 2.111 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000177914033 189079144 /nfs/dbraw/zinc/07/91/44/189079144.db2.gz FZYNBGOXOSMQDS-OAHLLOKOSA-N 2 2 274.412 2.038 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093693154 364217315 /nfs/dbraw/zinc/21/73/15/364217315.db2.gz XURMHACIKUSYJI-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093693154 364217321 /nfs/dbraw/zinc/21/73/21/364217321.db2.gz XURMHACIKUSYJI-ZDUSSCGKSA-N 2 2 261.369 2.315 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000335661013 212378713 /nfs/dbraw/zinc/37/87/13/212378713.db2.gz RTTQDKBJKSNSJU-LBPRGKRZSA-N 2 2 272.377 2.343 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000335661013 212378715 /nfs/dbraw/zinc/37/87/15/212378715.db2.gz RTTQDKBJKSNSJU-LBPRGKRZSA-N 2 2 272.377 2.343 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179430 364583635 /nfs/dbraw/zinc/58/36/35/364583635.db2.gz SPJMFSYLCQZIHZ-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179430 364583641 /nfs/dbraw/zinc/58/36/41/364583641.db2.gz SPJMFSYLCQZIHZ-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179430 364583645 /nfs/dbraw/zinc/58/36/45/364583645.db2.gz SPJMFSYLCQZIHZ-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000335179430 364583653 /nfs/dbraw/zinc/58/36/53/364583653.db2.gz SPJMFSYLCQZIHZ-BLLLJJGKSA-N 2 2 275.371 2.469 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356870595 370799404 /nfs/dbraw/zinc/79/94/04/370799404.db2.gz OGAUOAWJVILAJQ-KBPBESRZSA-N 2 2 252.402 2.042 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340885270 367073976 /nfs/dbraw/zinc/07/39/76/367073976.db2.gz XSBJTLXMMMDDAZ-LBPRGKRZSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340885270 367073982 /nfs/dbraw/zinc/07/39/82/367073982.db2.gz XSBJTLXMMMDDAZ-LBPRGKRZSA-N 2 2 261.344 2.081 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1C1CC1 ZINC000341470892 367348259 /nfs/dbraw/zinc/34/82/59/367348259.db2.gz BUJGPEMLDMMFMJ-CJNGLKHVSA-N 2 2 269.392 2.316 20 30 CEEDLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000341470892 367348267 /nfs/dbraw/zinc/34/82/67/367348267.db2.gz BUJGPEMLDMMFMJ-CJNGLKHVSA-N 2 2 269.392 2.316 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186691219 369020955 /nfs/dbraw/zinc/02/09/55/369020955.db2.gz NOTORWOLNVQAAS-DLBZAZTESA-N 2 2 274.408 2.178 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186691219 369020957 /nfs/dbraw/zinc/02/09/57/369020957.db2.gz NOTORWOLNVQAAS-DLBZAZTESA-N 2 2 274.408 2.178 20 30 CEEDLP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000191400758 369709918 /nfs/dbraw/zinc/70/99/18/369709918.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000191400758 369709921 /nfs/dbraw/zinc/70/99/21/369709921.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N ZINC000191400758 369709927 /nfs/dbraw/zinc/70/99/27/369709927.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 2 274.412 2.203 20 30 CEEDLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000191400758 369709930 /nfs/dbraw/zinc/70/99/30/369709930.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 2 274.412 2.203 20 30 CEEDLP CCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000233074665 370516663 /nfs/dbraw/zinc/51/66/63/370516663.db2.gz YGEFMXVBAOPFNF-HNNXBMFYSA-N 2 2 273.380 2.141 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000233074665 370516665 /nfs/dbraw/zinc/51/66/65/370516665.db2.gz YGEFMXVBAOPFNF-HNNXBMFYSA-N 2 2 273.380 2.141 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000268657982 372170577 /nfs/dbraw/zinc/17/05/77/372170577.db2.gz HSVXYVJSZGIGKG-KRWDZBQOSA-N 2 2 296.374 2.125 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367614175 373167395 /nfs/dbraw/zinc/16/73/95/373167395.db2.gz HOYAOVPERZQTRN-HNNXBMFYSA-N 2 2 274.412 2.417 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613433 373168304 /nfs/dbraw/zinc/16/83/04/373168304.db2.gz FNHXZXSCENXGGJ-RCCFBDPRSA-N 3 2 291.483 2.489 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613433 373168313 /nfs/dbraw/zinc/16/83/13/373168313.db2.gz FNHXZXSCENXGGJ-RCCFBDPRSA-N 3 2 291.483 2.489 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1C#N ZINC000371292702 373834793 /nfs/dbraw/zinc/83/47/93/373834793.db2.gz DCWRWGUUZQZHNL-SQNIBIBYSA-N 2 2 299.418 2.242 20 30 CEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C#N ZINC000371292702 373834806 /nfs/dbraw/zinc/83/48/06/373834806.db2.gz DCWRWGUUZQZHNL-SQNIBIBYSA-N 2 2 299.418 2.242 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274350629 373891054 /nfs/dbraw/zinc/89/10/54/373891054.db2.gz KNVLNTOVGAAAOY-CGTJXYLNSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000274350629 373891059 /nfs/dbraw/zinc/89/10/59/373891059.db2.gz KNVLNTOVGAAAOY-CGTJXYLNSA-N 2 2 288.435 2.424 20 30 CEEDLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1C#N ZINC000282443421 375484597 /nfs/dbraw/zinc/48/45/97/375484597.db2.gz UQZVIIJIBNRIHL-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1C#N ZINC000282443421 375484599 /nfs/dbraw/zinc/48/45/99/375484599.db2.gz UQZVIIJIBNRIHL-UHFFFAOYSA-N 2 2 287.407 2.485 20 30 CEEDLP C[C@H](C#N)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897483 376733702 /nfs/dbraw/zinc/73/37/02/376733702.db2.gz AXAWKUHSMIWOPP-OAHLLOKOSA-N 2 2 287.407 2.110 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412751 542133997 /nfs/dbraw/zinc/13/39/97/542133997.db2.gz RKNGXRMGIXGMHA-LJQANCHMSA-N 2 2 298.430 2.225 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412751 542134000 /nfs/dbraw/zinc/13/40/00/542134000.db2.gz RKNGXRMGIXGMHA-LJQANCHMSA-N 2 2 298.430 2.225 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000562925262 377024255 /nfs/dbraw/zinc/02/42/55/377024255.db2.gz FGZXVOKQSFEKEY-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000562925262 377024259 /nfs/dbraw/zinc/02/42/59/377024259.db2.gz FGZXVOKQSFEKEY-CJNGLKHVSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000562925263 377024343 /nfs/dbraw/zinc/02/43/43/377024343.db2.gz FGZXVOKQSFEKEY-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000562925263 377024351 /nfs/dbraw/zinc/02/43/51/377024351.db2.gz FGZXVOKQSFEKEY-CZUORRHYSA-N 2 2 281.363 2.233 20 30 CEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292888125 377333213 /nfs/dbraw/zinc/33/32/13/377333213.db2.gz FMCSUKXQBUBHOB-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC000292888125 377333217 /nfs/dbraw/zinc/33/32/17/377333217.db2.gz FMCSUKXQBUBHOB-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000292888125 377333220 /nfs/dbraw/zinc/33/32/20/377333220.db2.gz FMCSUKXQBUBHOB-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC000292888125 377333227 /nfs/dbraw/zinc/33/32/27/377333227.db2.gz FMCSUKXQBUBHOB-QGZVFWFLSA-N 2 2 269.392 2.476 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000566017291 377711868 /nfs/dbraw/zinc/71/18/68/377711868.db2.gz JEHYJNQHLKMEMO-MRXNPFEDSA-N 2 2 280.375 2.476 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000566017291 377711872 /nfs/dbraw/zinc/71/18/72/377711872.db2.gz JEHYJNQHLKMEMO-MRXNPFEDSA-N 2 2 280.375 2.476 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875752 378011013 /nfs/dbraw/zinc/01/10/13/378011013.db2.gz PIFQQOZHEKHPQP-WLIAPVHPSA-N 2 2 261.413 2.389 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442875752 378011017 /nfs/dbraw/zinc/01/10/17/378011017.db2.gz PIFQQOZHEKHPQP-WLIAPVHPSA-N 2 2 261.413 2.389 20 30 CEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354196 /nfs/dbraw/zinc/35/41/96/380354196.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 2 261.394 2.146 20 30 CEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354204 /nfs/dbraw/zinc/35/42/04/380354204.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354208 /nfs/dbraw/zinc/35/42/08/380354208.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 2 261.394 2.146 20 30 CEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354212 /nfs/dbraw/zinc/35/42/12/380354212.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 2 261.394 2.146 20 30 CEEDLP Cc1[nH]c(C(=O)NCC[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000330441740 394610131 /nfs/dbraw/zinc/61/01/31/394610131.db2.gz DVHMVSWMDNQQEZ-UHFFFAOYSA-N 2 2 264.373 2.287 20 30 CEEDLP Cc1[nH]c(C(=O)NCC[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000330441740 394610135 /nfs/dbraw/zinc/61/01/35/394610135.db2.gz DVHMVSWMDNQQEZ-UHFFFAOYSA-N 2 2 264.373 2.287 20 30 CEEDLP CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000267440990 394679011 /nfs/dbraw/zinc/67/90/11/394679011.db2.gz PDAICSOAXHSEML-CQSZACIVSA-N 2 2 294.830 2.229 20 30 CEEDLP CNC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000267440990 394679016 /nfs/dbraw/zinc/67/90/16/394679016.db2.gz PDAICSOAXHSEML-CQSZACIVSA-N 2 2 294.830 2.229 20 30 CEEDLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000414127135 394710472 /nfs/dbraw/zinc/71/04/72/394710472.db2.gz PPEYSGFAURKWAH-NSHDSACASA-N 2 2 272.327 2.324 20 30 CEEDLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1F ZINC000414129881 394711583 /nfs/dbraw/zinc/71/15/83/394711583.db2.gz VYJRBYMTYPQFKA-LLVKDONJSA-N 2 2 272.327 2.324 20 30 CEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335498673 394770754 /nfs/dbraw/zinc/77/07/54/394770754.db2.gz SLKCZYAGMBZART-GOEBONIOSA-N 2 2 255.365 2.277 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339056683 394939235 /nfs/dbraw/zinc/93/92/35/394939235.db2.gz QBNQUDXLOPABLW-SOUVJXGZSA-N 2 2 272.396 2.367 20 30 CEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339056683 394939238 /nfs/dbraw/zinc/93/92/38/394939238.db2.gz QBNQUDXLOPABLW-SOUVJXGZSA-N 2 2 272.396 2.367 20 30 CEEDLP C=CCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000569899639 395580892 /nfs/dbraw/zinc/58/08/92/395580892.db2.gz GMLNRHMDSLDYQA-IRXDYDNUSA-N 2 2 279.472 2.301 20 30 CEEDLP C=CCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000569899639 395580894 /nfs/dbraw/zinc/58/08/94/395580894.db2.gz GMLNRHMDSLDYQA-IRXDYDNUSA-N 2 2 279.472 2.301 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000651818796 401398688 /nfs/dbraw/zinc/39/86/88/401398688.db2.gz FUIAAAQCFZOZAR-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000651818796 401398690 /nfs/dbraw/zinc/39/86/90/401398690.db2.gz FUIAAAQCFZOZAR-BZUAXINKSA-N 2 2 266.429 2.168 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccccc1C#N)CC2 ZINC000374985977 157035775 /nfs/dbraw/zinc/03/57/75/157035775.db2.gz HGJQRMJDHKFFOZ-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](CCOc1ccccc1C#N)CC2 ZINC000374985977 157035776 /nfs/dbraw/zinc/03/57/76/157035776.db2.gz HGJQRMJDHKFFOZ-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C=CC[C@@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC[NH2+]1 ZINC000662818216 414758938 /nfs/dbraw/zinc/75/89/38/414758938.db2.gz RUQHVHBJDHHPBB-INIZCTEOSA-N 2 2 273.380 2.013 20 30 CEEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCCC)CC2)nn1 ZINC000657334860 414867144 /nfs/dbraw/zinc/86/71/44/414867144.db2.gz CXEQZAVCZWXTMQ-UHFFFAOYSA-N 2 2 291.443 2.208 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657353348 414878931 /nfs/dbraw/zinc/87/89/31/414878931.db2.gz QOMFQQFNXPLBKB-UHFFFAOYSA-N 3 2 297.406 2.007 20 30 CEEDLP C=CCN1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657353348 414878936 /nfs/dbraw/zinc/87/89/36/414878936.db2.gz QOMFQQFNXPLBKB-UHFFFAOYSA-N 2 2 297.406 2.007 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657354178 414880638 /nfs/dbraw/zinc/88/06/38/414880638.db2.gz ZCAYPXIJFVTXIS-UHFFFAOYSA-N 2 2 288.439 2.428 20 30 CEEDLP C=CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293914 415300052 /nfs/dbraw/zinc/30/00/52/415300052.db2.gz KBAFWEKJWYRQCV-ZFWWWQNUSA-N 2 2 252.402 2.184 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000662322222 415777648 /nfs/dbraw/zinc/77/76/48/415777648.db2.gz GHTKYJPEJMKTEZ-SFHVURJKSA-N 2 2 286.419 2.081 20 30 CEEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000662322222 415777653 /nfs/dbraw/zinc/77/76/53/415777653.db2.gz GHTKYJPEJMKTEZ-SFHVURJKSA-N 2 2 286.419 2.081 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000666943544 419485544 /nfs/dbraw/zinc/48/55/44/419485544.db2.gz XMVVNCZZSMOESK-KBPBESRZSA-N 2 2 294.370 2.050 20 30 CEEDLP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000185790592 262071569 /nfs/dbraw/zinc/07/15/69/262071569.db2.gz VEZSAJOTMAMSJJ-HUUCEWRRSA-N 2 2 299.422 2.328 20 30 CEEDLP CC1(C#N)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000272552880 263006633 /nfs/dbraw/zinc/00/66/33/263006633.db2.gz RREPNQCPWSMFTH-UHFFFAOYSA-N 2 2 254.337 2.460 20 30 CEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000278503804 263048342 /nfs/dbraw/zinc/04/83/42/263048342.db2.gz APWGJYSMYMTRIC-TUVASFSCSA-N 2 2 258.369 2.458 20 30 CEEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000278503804 263048343 /nfs/dbraw/zinc/04/83/43/263048343.db2.gz APWGJYSMYMTRIC-TUVASFSCSA-N 2 2 258.369 2.458 20 30 CEEDLP C#C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)C ZINC000281136716 264466959 /nfs/dbraw/zinc/46/69/59/264466959.db2.gz ZHZYVCLIOPFGOW-CQSZACIVSA-N 2 2 292.346 2.280 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368967201 267214854 /nfs/dbraw/zinc/21/48/54/267214854.db2.gz VRYVLGWUDUMUQQ-SMDDNHRTSA-N 2 2 265.426 2.438 20 30 CEEDLP C=CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368967201 267214859 /nfs/dbraw/zinc/21/48/59/267214859.db2.gz VRYVLGWUDUMUQQ-SMDDNHRTSA-N 2 2 265.426 2.438 20 30 CEEDLP N#CCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000370209039 267299100 /nfs/dbraw/zinc/29/91/00/267299100.db2.gz CUNWOXFAUARCDJ-UHFFFAOYSA-N 2 2 284.407 2.329 20 30 CEEDLP CCC(CC)[C@H](CNc1cc(C)[nH+]cc1C#N)[NH+](C)C ZINC000425201883 271138878 /nfs/dbraw/zinc/13/88/78/271138878.db2.gz BSDDCVZOUMTTBZ-INIZCTEOSA-N 2 2 274.412 2.462 20 30 CEEDLP COc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1 ZINC000170905223 327749180 /nfs/dbraw/zinc/74/91/80/327749180.db2.gz ZCYNUKGUFKHCJL-UHFFFAOYSA-N 2 2 299.378 2.319 20 30 CEEDLP CC(C)c1cccc(NC(=[NH2+])NCc2c[nH+]cn2C)c1 ZINC000262298644 328148228 /nfs/dbraw/zinc/14/82/28/328148228.db2.gz NAYAPBZATQJUJV-UHFFFAOYSA-N 2 2 271.368 2.470 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580694814 322335578 /nfs/dbraw/zinc/33/55/78/322335578.db2.gz JLDXNEVKMUMGTA-AWEZNQCLSA-N 2 2 296.374 2.290 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000378547069 329054683 /nfs/dbraw/zinc/05/46/83/329054683.db2.gz RPWMHQAHPITRIW-RDJZCZTQSA-N 2 2 289.423 2.084 20 30 CEEDLP C=CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000378547069 329054685 /nfs/dbraw/zinc/05/46/85/329054685.db2.gz RPWMHQAHPITRIW-RDJZCZTQSA-N 2 2 289.423 2.084 20 30 CEEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359878290 329642966 /nfs/dbraw/zinc/64/29/66/329642966.db2.gz QPOWBLQFCZDEHI-CQSZACIVSA-N 2 2 257.381 2.047 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978674 330162211 /nfs/dbraw/zinc/16/22/11/330162211.db2.gz KBQCSGPHINXIIK-HOTGVXAUSA-N 3 2 265.445 2.147 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978673 330162290 /nfs/dbraw/zinc/16/22/90/330162290.db2.gz KBQCSGPHINXIIK-CVEARBPZSA-N 3 2 265.445 2.147 20 30 CEEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000424158999 330305815 /nfs/dbraw/zinc/30/58/15/330305815.db2.gz RVTLXHIIZVJGTH-CYBMUJFWSA-N 2 2 283.335 2.036 20 30 CEEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000424161741 330307357 /nfs/dbraw/zinc/30/73/57/330307357.db2.gz WAEVZJPCRGCWFV-ZDUSSCGKSA-N 2 2 283.335 2.036 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000328080597 330311898 /nfs/dbraw/zinc/31/18/98/330311898.db2.gz GPUSRSOWZHCZSS-AWEZNQCLSA-N 2 2 263.360 2.217 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000328080597 330311899 /nfs/dbraw/zinc/31/18/99/330311899.db2.gz GPUSRSOWZHCZSS-AWEZNQCLSA-N 2 2 263.360 2.217 20 30 CEEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442707059 330779961 /nfs/dbraw/zinc/77/99/61/330779961.db2.gz FPHQOXXIOBLNHH-IKGGRYGDSA-N 2 2 271.408 2.441 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453258569 331108467 /nfs/dbraw/zinc/10/84/67/331108467.db2.gz HVDFQBMMYRHBJS-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453258569 331108468 /nfs/dbraw/zinc/10/84/68/331108468.db2.gz HVDFQBMMYRHBJS-HZPDHXFCSA-N 2 2 266.429 2.168 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497928 334160791 /nfs/dbraw/zinc/16/07/91/334160791.db2.gz DSNJATZULRJUES-OAHLLOKOSA-N 2 2 283.350 2.400 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000548497928 334160793 /nfs/dbraw/zinc/16/07/93/334160793.db2.gz DSNJATZULRJUES-OAHLLOKOSA-N 2 2 283.350 2.400 20 30 CEEDLP C=C(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615717 336112866 /nfs/dbraw/zinc/11/28/66/336112866.db2.gz QMCZBGHEAXUVEY-CJNGLKHVSA-N 2 2 298.377 2.484 20 30 CEEDLP C=C(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccc(F)c(F)c1 ZINC000581615717 336112867 /nfs/dbraw/zinc/11/28/67/336112867.db2.gz QMCZBGHEAXUVEY-CJNGLKHVSA-N 2 2 298.377 2.484 20 30 CEEDLP C=CC[C@@H](CO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344320378 527077809 /nfs/dbraw/zinc/07/78/09/527077809.db2.gz DBHBSQKORNJRQV-GFCCVEGCSA-N 2 2 277.393 2.208 20 30 CEEDLP CCC(CC)C[N@H+](CCC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000749117985 575205995 /nfs/dbraw/zinc/20/59/95/575205995.db2.gz UYWPNJBOSMQXJL-INIZCTEOSA-N 2 2 281.444 2.095 20 30 CEEDLP CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000749117985 575205996 /nfs/dbraw/zinc/20/59/96/575205996.db2.gz UYWPNJBOSMQXJL-INIZCTEOSA-N 2 2 281.444 2.095 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000328034572 627768962 /nfs/dbraw/zinc/76/89/62/627768962.db2.gz WAMBFUPXJRNXFH-DZGCQCFKSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000328034572 627768965 /nfs/dbraw/zinc/76/89/65/627768965.db2.gz WAMBFUPXJRNXFH-DZGCQCFKSA-N 2 2 260.381 2.448 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000328099119 627820701 /nfs/dbraw/zinc/82/07/01/627820701.db2.gz KOHCJQQTAKDOMS-UHFFFAOYSA-N 2 2 284.407 2.101 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000328099119 627820705 /nfs/dbraw/zinc/82/07/05/627820705.db2.gz KOHCJQQTAKDOMS-UHFFFAOYSA-N 2 2 284.407 2.101 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892880761 627827945 /nfs/dbraw/zinc/82/79/45/627827945.db2.gz IQEPNSYSUJZGTA-UHFFFAOYSA-N 2 2 276.409 2.136 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000817973477 633816495 /nfs/dbraw/zinc/81/64/95/633816495.db2.gz UGEVALHMNZNVFP-ZIAGYGMSSA-N 2 2 260.381 2.347 20 30 CEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903191910 635005117 /nfs/dbraw/zinc/00/51/17/635005117.db2.gz GQJJQVPQECEWOY-LQDVMPOASA-N 2 2 259.397 2.428 20 30 CEEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903191910 635005122 /nfs/dbraw/zinc/00/51/22/635005122.db2.gz GQJJQVPQECEWOY-LQDVMPOASA-N 2 2 259.397 2.428 20 30 CEEDLP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903394582 635090337 /nfs/dbraw/zinc/09/03/37/635090337.db2.gz DYGLIMZSMYFBGX-KBXCAEBGSA-N 2 2 299.418 2.147 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000903420522 635121582 /nfs/dbraw/zinc/12/15/82/635121582.db2.gz ANPFHKDBVZESDP-HNNXBMFYSA-N 2 2 257.381 2.488 20 30 CEEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000903420522 635121585 /nfs/dbraw/zinc/12/15/85/635121585.db2.gz ANPFHKDBVZESDP-HNNXBMFYSA-N 2 2 257.381 2.488 20 30 CEEDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC000903425037 635123871 /nfs/dbraw/zinc/12/38/71/635123871.db2.gz PDMCLESTAUSGMI-HNNXBMFYSA-N 2 2 257.381 2.359 20 30 CEEDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000903425037 635123878 /nfs/dbraw/zinc/12/38/78/635123878.db2.gz PDMCLESTAUSGMI-HNNXBMFYSA-N 2 2 257.381 2.359 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000237569255 641350719 /nfs/dbraw/zinc/35/07/19/641350719.db2.gz YAVHFSVHCIDVCA-CQSZACIVSA-N 2 2 284.363 2.354 20 30 CEEDLP CCc1ccc([C@@H](CNC(NC2CC2)=[NH+]C)[NH+](C)C)cc1 ZINC000848981463 642204173 /nfs/dbraw/zinc/20/41/73/642204173.db2.gz AVQCWGCZQFXHSY-MRXNPFEDSA-N 2 2 288.439 2.179 20 30 CEEDLP C=C(C)CNC(=[NH2+])NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000849026989 642240217 /nfs/dbraw/zinc/24/02/17/642240217.db2.gz RQOUBDPDPPQZFN-CHWSQXEVSA-N 2 2 278.400 2.399 20 30 CEEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(C#N)c2)CCCO1 ZINC000922063862 642861538 /nfs/dbraw/zinc/86/15/38/642861538.db2.gz KEAFMUGDPFXADE-CYBMUJFWSA-N 2 2 293.436 2.210 20 30 CEEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(C#N)c2)CCCO1 ZINC000922063862 642861540 /nfs/dbraw/zinc/86/15/40/642861540.db2.gz KEAFMUGDPFXADE-CYBMUJFWSA-N 2 2 293.436 2.210 20 30 CEEDLP C#CCCCOc1ccc[nH+]c1NC[C@H](C)C[NH+](C)C ZINC000853642905 643843418 /nfs/dbraw/zinc/84/34/18/643843418.db2.gz NSZUDANPZQHLSK-AWEZNQCLSA-N 2 2 275.396 2.483 20 30 CEEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000863543403 646751637 /nfs/dbraw/zinc/75/16/37/646751637.db2.gz OBDSEPMCRQBZPJ-UHOFOFEASA-N 2 2 273.380 2.380 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778187625 647206697 /nfs/dbraw/zinc/20/66/97/647206697.db2.gz AZTBPIWVMWLWDU-HIFRSBDPSA-N 2 2 296.374 2.279 20 30 CEEDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000779063743 647284668 /nfs/dbraw/zinc/28/46/68/647284668.db2.gz DJAHHOGDCBRAJA-ZFWWWQNUSA-N 2 2 296.374 2.451 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@@H+]1C ZINC000865475310 647313550 /nfs/dbraw/zinc/31/35/50/647313550.db2.gz KMVDAIPSSHSJFT-BBRMVZONSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@H+]1C ZINC000865475310 647313557 /nfs/dbraw/zinc/31/35/57/647313557.db2.gz KMVDAIPSSHSJFT-BBRMVZONSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866250273 647694835 /nfs/dbraw/zinc/69/48/35/647694835.db2.gz XWEHCVRODNQTCS-RYUDHWBXSA-N 2 2 261.369 2.255 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000873281034 649623856 /nfs/dbraw/zinc/62/38/56/649623856.db2.gz XBQIKCUYFBGOJT-CABCVRRESA-N 2 2 266.429 2.335 20 30 CEEDLP Cn1c[nH+]cc1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433097 651303130 /nfs/dbraw/zinc/30/31/30/651303130.db2.gz STQUCGBCZRBJCP-UHFFFAOYSA-N 2 2 268.364 2.009 20 30 CEEDLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433097 651303131 /nfs/dbraw/zinc/30/31/31/651303131.db2.gz STQUCGBCZRBJCP-UHFFFAOYSA-N 2 2 268.364 2.009 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000128133857 651374762 /nfs/dbraw/zinc/37/47/62/651374762.db2.gz BWOBGTIPPNPBNI-SMDDNHRTSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000128133857 651374764 /nfs/dbraw/zinc/37/47/64/651374764.db2.gz BWOBGTIPPNPBNI-SMDDNHRTSA-N 2 2 261.344 2.270 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@H]1CCCO1 ZINC000883194919 652396421 /nfs/dbraw/zinc/39/64/21/652396421.db2.gz GJJCFJIKTHJADI-HRCADAONSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@H]1CCCO1 ZINC000883194919 652396423 /nfs/dbraw/zinc/39/64/23/652396423.db2.gz GJJCFJIKTHJADI-HRCADAONSA-N 2 2 266.429 2.432 20 30 CEEDLP CN(CC1CC[NH+](C)CC1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001165043069 721935822 /nfs/dbraw/zinc/93/58/22/721935822.db2.gz NGPDSAMBDITTAU-UHFFFAOYSA-N 2 2 283.379 2.213 20 30 CEEDLP C=CC[N@@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001272076039 806438491 /nfs/dbraw/zinc/43/84/91/806438491.db2.gz PNZZWXPXFSBART-UHFFFAOYSA-N 2 2 298.390 2.062 20 30 CEEDLP C=CC[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001272076039 806438498 /nfs/dbraw/zinc/43/84/98/806438498.db2.gz PNZZWXPXFSBART-UHFFFAOYSA-N 2 2 298.390 2.062 20 30 CEEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106317695 807720900 /nfs/dbraw/zinc/72/09/00/807720900.db2.gz ORDCTLHBTZMOHU-TZMCWYRMSA-N 2 2 298.390 2.047 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001120026705 815189691 /nfs/dbraw/zinc/18/96/91/815189691.db2.gz VHHOTCCAGGFPMU-IBGZPJMESA-N 2 2 298.430 2.271 20 30 CEEDLP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120497589 815230565 /nfs/dbraw/zinc/23/05/65/815230565.db2.gz XDWZOEXLNPNFKS-UONOGXRCSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC001120497589 815230568 /nfs/dbraw/zinc/23/05/68/815230568.db2.gz XDWZOEXLNPNFKS-UONOGXRCSA-N 2 2 262.401 2.140 20 30 CEEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001034671224 809656222 /nfs/dbraw/zinc/65/62/22/809656222.db2.gz KFOYOZQULROTQR-HDJSIYSDSA-N 2 2 298.390 2.380 20 30 CEEDLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(CC#N)cc[nH+]1 ZINC001155033415 810930832 /nfs/dbraw/zinc/93/08/32/810930832.db2.gz SMECBPWZRFPOKS-TZMCWYRMSA-N 2 2 258.369 2.195 20 30 CEEDLP CC[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC001169262181 811451645 /nfs/dbraw/zinc/45/16/45/811451645.db2.gz VQBVFLLVGRNEFQ-UHFFFAOYSA-N 2 2 298.434 2.165 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227218 813235677 /nfs/dbraw/zinc/23/56/77/813235677.db2.gz CKWJZWVNGUDIQN-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134732048 813320962 /nfs/dbraw/zinc/32/09/62/813320962.db2.gz CIHBXBZLWWPFMM-NEPJUHHUSA-N 2 2 286.379 2.235 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135915 813373844 /nfs/dbraw/zinc/37/38/44/813373844.db2.gz DBNCEERCJWAKTC-HUUCEWRRSA-N 2 2 292.427 2.112 20 30 CEEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031771 813589864 /nfs/dbraw/zinc/58/98/64/813589864.db2.gz PUDNCQKAIVBBMH-OLZOCXBDSA-N 2 2 292.427 2.100 20 30 CEEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246086340 813676529 /nfs/dbraw/zinc/67/65/29/813676529.db2.gz KQRXTPVBZJJBSE-RRFJBIMHSA-N 2 2 256.434 2.438 20 30 CEEDLP CCCCCCC[C@@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246091757 813679945 /nfs/dbraw/zinc/67/99/45/813679945.db2.gz AAGSBZBJOKHWDU-CQSZACIVSA-N 2 2 256.434 2.440 20 30 CEEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246086338 813677062 /nfs/dbraw/zinc/67/70/62/813677062.db2.gz KQRXTPVBZJJBSE-RBSFLKMASA-N 2 2 256.434 2.438 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cccc1CC ZINC001171067374 813798344 /nfs/dbraw/zinc/79/83/44/813798344.db2.gz ASMFHAKRMIFDLL-AWEZNQCLSA-N 2 2 291.395 2.283 20 30 CEEDLP CC1CCN(C(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000122463112 365628124 /nfs/dbraw/zinc/62/81/24/365628124.db2.gz ZRUJDNNCATZBAJ-INIZCTEOSA-N 2 2 288.439 2.336 20 30 CEEDLP C[C@@H]([NH2+]CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657273 365752012 /nfs/dbraw/zinc/75/20/12/365752012.db2.gz POQLDWGYIKMRRO-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@@H]([NH2+]CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657273 365752015 /nfs/dbraw/zinc/75/20/15/365752015.db2.gz POQLDWGYIKMRRO-GDBMZVCRSA-N 2 2 257.381 2.400 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000602010018 346957672 /nfs/dbraw/zinc/95/76/72/346957672.db2.gz AAQNXLIYXMJBQA-AAEUAGOBSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CC[N@H+]1C ZINC000602010018 346957675 /nfs/dbraw/zinc/95/76/75/346957675.db2.gz AAQNXLIYXMJBQA-AAEUAGOBSA-N 2 2 261.344 2.270 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000602483941 347055393 /nfs/dbraw/zinc/05/53/93/347055393.db2.gz KHJJMYWPIPJFKI-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000602483941 347055396 /nfs/dbraw/zinc/05/53/96/347055396.db2.gz KHJJMYWPIPJFKI-XJKSGUPXSA-N 2 2 281.363 2.233 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000237278248 344601127 /nfs/dbraw/zinc/60/11/27/344601127.db2.gz ZDCYXHVVROXEJE-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000237278248 344601130 /nfs/dbraw/zinc/60/11/30/344601130.db2.gz ZDCYXHVVROXEJE-OAHLLOKOSA-N 2 2 290.407 2.444 20 30 CEEDLP COC1CC[NH+](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589340911 345078629 /nfs/dbraw/zinc/07/86/29/345078629.db2.gz VTYKPTYGCSRSNU-SFHVURJKSA-N 2 2 299.418 2.246 20 30 CEEDLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1C ZINC000591413651 345248678 /nfs/dbraw/zinc/24/86/78/345248678.db2.gz IPQXLYBJOISGGE-INIZCTEOSA-N 2 2 295.390 2.135 20 30 CEEDLP Cc1cccn2cc(CC[NH2+]C[C@H](C#N)CCC#N)[nH+]c12 ZINC000591748248 345277210 /nfs/dbraw/zinc/27/72/10/345277210.db2.gz ABKBDUODHIWNHA-AWEZNQCLSA-N 2 2 281.363 2.218 20 30 CEEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CO1 ZINC000593691495 345521358 /nfs/dbraw/zinc/52/13/58/345521358.db2.gz ATYALBSKFIVWDK-KBXCAEBGSA-N 2 2 299.418 2.290 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232880 346156895 /nfs/dbraw/zinc/15/68/95/346156895.db2.gz XMUJISOSGQESHV-MRXNPFEDSA-N 2 2 281.363 2.311 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232880 346156898 /nfs/dbraw/zinc/15/68/98/346156898.db2.gz XMUJISOSGQESHV-MRXNPFEDSA-N 2 2 281.363 2.311 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630320 346549022 /nfs/dbraw/zinc/54/90/22/346549022.db2.gz MJOAFWLDXMUFNV-KRWDZBQOSA-N 2 2 299.418 2.248 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630320 346549024 /nfs/dbraw/zinc/54/90/24/346549024.db2.gz MJOAFWLDXMUFNV-KRWDZBQOSA-N 2 2 299.418 2.248 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C#N ZINC000600709565 346674897 /nfs/dbraw/zinc/67/48/97/346674897.db2.gz LAVLDXQQHBJHGG-HOTGVXAUSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C#N ZINC000600709565 346674899 /nfs/dbraw/zinc/67/48/99/346674899.db2.gz LAVLDXQQHBJHGG-HOTGVXAUSA-N 2 2 255.365 2.180 20 30 CEEDLP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433097 215165325 /nfs/dbraw/zinc/16/53/25/215165325.db2.gz JITVFDAFQJZVAG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433097 215165328 /nfs/dbraw/zinc/16/53/28/215165328.db2.gz JITVFDAFQJZVAG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433097 215165330 /nfs/dbraw/zinc/16/53/30/215165330.db2.gz JITVFDAFQJZVAG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1ccc(C#N)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433097 215165334 /nfs/dbraw/zinc/16/53/34/215165334.db2.gz JITVFDAFQJZVAG-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1OC ZINC000619770964 349234553 /nfs/dbraw/zinc/23/45/53/349234553.db2.gz CZSGFOYPDBOBGC-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000619770964 349234555 /nfs/dbraw/zinc/23/45/55/349234555.db2.gz CZSGFOYPDBOBGC-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000628212230 351007446 /nfs/dbraw/zinc/00/74/46/351007446.db2.gz ZAARVVJKUJGHMU-UHFFFAOYSA-N 2 2 263.385 2.422 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292200293 198200050 /nfs/dbraw/zinc/20/00/50/198200050.db2.gz SENOEGPTXKQPII-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000292200293 198200051 /nfs/dbraw/zinc/20/00/51/198200051.db2.gz SENOEGPTXKQPII-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000292200293 198200053 /nfs/dbraw/zinc/20/00/53/198200053.db2.gz SENOEGPTXKQPII-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000292200293 198200055 /nfs/dbraw/zinc/20/00/55/198200055.db2.gz SENOEGPTXKQPII-KRWDZBQOSA-N 2 2 285.391 2.094 20 30 CEEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132224057 366128222 /nfs/dbraw/zinc/12/82/22/366128222.db2.gz GQUIDANDASOIKP-RDJZCZTQSA-N 2 2 256.393 2.305 20 30 CEEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132224057 366128226 /nfs/dbraw/zinc/12/82/26/366128226.db2.gz GQUIDANDASOIKP-RDJZCZTQSA-N 2 2 256.393 2.305 20 30 CEEDLP N#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000135149002 366402776 /nfs/dbraw/zinc/40/27/76/366402776.db2.gz LVHHGOCPNWORLY-UHFFFAOYSA-N 2 2 282.347 2.305 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000177909737 189078578 /nfs/dbraw/zinc/07/85/78/189078578.db2.gz SANPOCYAWILODC-ZDUSSCGKSA-N 2 2 262.401 2.204 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000675828514 540876875 /nfs/dbraw/zinc/87/68/75/540876875.db2.gz QYRWLAUIPXPCCP-UHFFFAOYSA-N 3 2 265.445 2.101 20 30 CEEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093042799 364132854 /nfs/dbraw/zinc/13/28/54/364132854.db2.gz XOSXCYBQQRQEBU-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093042799 364132856 /nfs/dbraw/zinc/13/28/56/364132856.db2.gz XOSXCYBQQRQEBU-INIZCTEOSA-N 2 2 293.455 2.361 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000093644171 364207279 /nfs/dbraw/zinc/20/72/79/364207279.db2.gz HHPUWMUQUQUALS-HIFRSBDPSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000093644171 364207281 /nfs/dbraw/zinc/20/72/81/364207281.db2.gz HHPUWMUQUQUALS-HIFRSBDPSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644171 364207283 /nfs/dbraw/zinc/20/72/83/364207283.db2.gz HHPUWMUQUQUALS-HIFRSBDPSA-N 2 2 297.406 2.120 20 30 CEEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC[NH+]1C ZINC000093644171 364207287 /nfs/dbraw/zinc/20/72/87/364207287.db2.gz HHPUWMUQUQUALS-HIFRSBDPSA-N 2 2 297.406 2.120 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748370 364925641 /nfs/dbraw/zinc/92/56/41/364925641.db2.gz UOHIWRFKEOSECP-CQSZACIVSA-N 2 2 284.338 2.420 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083854 /nfs/dbraw/zinc/08/38/54/367083854.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083857 /nfs/dbraw/zinc/08/38/57/367083857.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083860 /nfs/dbraw/zinc/08/38/60/367083860.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083865 /nfs/dbraw/zinc/08/38/65/367083865.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 2 275.371 2.471 20 30 CEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000344289589 368118854 /nfs/dbraw/zinc/11/88/54/368118854.db2.gz LGJHHDSELPSOQM-CABCVRRESA-N 2 2 287.407 2.320 20 30 CEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181105706 368422806 /nfs/dbraw/zinc/42/28/06/368422806.db2.gz WUFHTBFANMXIFQ-HNNXBMFYSA-N 2 2 292.427 2.018 20 30 CEEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000574338229 335012076 /nfs/dbraw/zinc/01/20/76/335012076.db2.gz SXJOIPVWQWOCOG-GDBMZVCRSA-N 2 2 284.407 2.328 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683014111 541751774 /nfs/dbraw/zinc/75/17/74/541751774.db2.gz NANJAAMFRBKYMU-UHFFFAOYSA-N 2 2 277.371 2.255 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000246449268 370962557 /nfs/dbraw/zinc/96/25/57/370962557.db2.gz NQRUMYIVNHJWJK-SWLSCSKDSA-N 2 2 270.336 2.431 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000246449268 370962561 /nfs/dbraw/zinc/96/25/61/370962561.db2.gz NQRUMYIVNHJWJK-SWLSCSKDSA-N 2 2 270.336 2.431 20 30 CEEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191425947 369711639 /nfs/dbraw/zinc/71/16/39/369711639.db2.gz UVMUGEDTAGHKOE-OAHLLOKOSA-N 2 2 283.379 2.066 20 30 CEEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191425947 369711645 /nfs/dbraw/zinc/71/16/45/369711645.db2.gz UVMUGEDTAGHKOE-OAHLLOKOSA-N 2 2 283.379 2.066 20 30 CEEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000264122909 371973943 /nfs/dbraw/zinc/97/39/43/371973943.db2.gz RHVYNJIGIHORQD-OAHLLOKOSA-N 2 2 274.412 2.136 20 30 CEEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263680473 371946054 /nfs/dbraw/zinc/94/60/54/371946054.db2.gz IFXOJKOAICVPNJ-ZDUSSCGKSA-N 2 2 254.337 2.464 20 30 CEEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263680473 371946064 /nfs/dbraw/zinc/94/60/64/371946064.db2.gz IFXOJKOAICVPNJ-ZDUSSCGKSA-N 2 2 254.337 2.464 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000641769421 372712057 /nfs/dbraw/zinc/71/20/57/372712057.db2.gz VKVPDXNRLMYTAS-KBAYOESNSA-N 2 2 286.419 2.186 20 30 CEEDLP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000641769421 372712063 /nfs/dbraw/zinc/71/20/63/372712063.db2.gz VKVPDXNRLMYTAS-KBAYOESNSA-N 2 2 286.419 2.186 20 30 CEEDLP CC(C)[NH2+]CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373367575 374337500 /nfs/dbraw/zinc/33/75/00/374337500.db2.gz CGAYHYIZURSVAN-UHFFFAOYSA-N 2 2 286.423 2.068 20 30 CEEDLP CC(C)[NH2+]CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373367575 374337506 /nfs/dbraw/zinc/33/75/06/374337506.db2.gz CGAYHYIZURSVAN-UHFFFAOYSA-N 2 2 286.423 2.068 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000277168962 374426250 /nfs/dbraw/zinc/42/62/50/374426250.db2.gz KPVRLXLFHIKRNC-KRWDZBQOSA-N 2 2 256.393 2.454 20 30 CEEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000277168962 374426255 /nfs/dbraw/zinc/42/62/55/374426255.db2.gz KPVRLXLFHIKRNC-KRWDZBQOSA-N 2 2 256.393 2.454 20 30 CEEDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000374584804 374604780 /nfs/dbraw/zinc/60/47/80/374604780.db2.gz JCOYOMVZVDLXJX-QGZVFWFLSA-N 2 2 299.418 2.152 20 30 CEEDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000374584804 374604784 /nfs/dbraw/zinc/60/47/84/374604784.db2.gz JCOYOMVZVDLXJX-QGZVFWFLSA-N 2 2 299.418 2.152 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000420321817 376684491 /nfs/dbraw/zinc/68/44/91/376684491.db2.gz RVQKCWBAFOVIOU-IUODEOHRSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000420321817 376684504 /nfs/dbraw/zinc/68/45/04/376684504.db2.gz RVQKCWBAFOVIOU-IUODEOHRSA-N 2 2 289.423 2.143 20 30 CEEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000562925261 377024106 /nfs/dbraw/zinc/02/41/06/377024106.db2.gz FGZXVOKQSFEKEY-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000562925261 377024112 /nfs/dbraw/zinc/02/41/12/377024112.db2.gz FGZXVOKQSFEKEY-BBRMVZONSA-N 2 2 281.363 2.233 20 30 CEEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926740 377355601 /nfs/dbraw/zinc/35/56/01/377355601.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926740 377355607 /nfs/dbraw/zinc/35/56/07/377355607.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292926740 377355612 /nfs/dbraw/zinc/35/56/12/377355612.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926740 377355618 /nfs/dbraw/zinc/35/56/18/377355618.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 2 299.418 2.485 20 30 CEEDLP N#C[C@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000333067184 377752393 /nfs/dbraw/zinc/75/23/93/377752393.db2.gz JNVJSNAGYWCIMW-QWHCGFSZSA-N 2 2 258.369 2.044 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000294894006 378026857 /nfs/dbraw/zinc/02/68/57/378026857.db2.gz FDALZXRXUNPZJB-ZDUSSCGKSA-N 2 2 273.355 2.303 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000294894006 378026861 /nfs/dbraw/zinc/02/68/61/378026861.db2.gz FDALZXRXUNPZJB-ZDUSSCGKSA-N 2 2 273.355 2.303 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449394010 378210979 /nfs/dbraw/zinc/21/09/79/378210979.db2.gz DJJQZIYZBWVRHF-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449394010 378210983 /nfs/dbraw/zinc/21/09/83/378210983.db2.gz DJJQZIYZBWVRHF-RRFJBIMHSA-N 2 2 254.418 2.024 20 30 CEEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450459088 378428836 /nfs/dbraw/zinc/42/88/36/378428836.db2.gz ZNYZHRVZIWDABA-HNNXBMFYSA-N 2 2 261.413 2.344 20 30 CEEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450459088 378428842 /nfs/dbraw/zinc/42/88/42/378428842.db2.gz ZNYZHRVZIWDABA-HNNXBMFYSA-N 2 2 261.413 2.344 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450459088 378428851 /nfs/dbraw/zinc/42/88/51/378428851.db2.gz ZNYZHRVZIWDABA-HNNXBMFYSA-N 2 2 261.413 2.344 20 30 CEEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450459088 378428855 /nfs/dbraw/zinc/42/88/55/378428855.db2.gz ZNYZHRVZIWDABA-HNNXBMFYSA-N 2 2 261.413 2.344 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000281826635 195398445 /nfs/dbraw/zinc/39/84/45/195398445.db2.gz XIHJKJBTXAPPKY-DOMZBBRYSA-N 2 2 285.391 2.282 20 30 CEEDLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000281826635 195398446 /nfs/dbraw/zinc/39/84/46/195398446.db2.gz XIHJKJBTXAPPKY-DOMZBBRYSA-N 2 2 285.391 2.282 20 30 CEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)Cn1cc[nH+]c1 ZINC000421328154 394500941 /nfs/dbraw/zinc/50/09/41/394500941.db2.gz RZIKVVBOKIMNLD-LBPRGKRZSA-N 2 2 272.327 2.320 20 30 CEEDLP CC[NH+]=C(NCC1CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931076 394609250 /nfs/dbraw/zinc/60/92/50/394609250.db2.gz BJSIDCUMNNCLLB-ZFWWWQNUSA-N 2 2 289.427 2.142 20 30 CEEDLP N#CCSCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266774792 394669032 /nfs/dbraw/zinc/66/90/32/394669032.db2.gz TVHPPUOKEHEIIL-UHFFFAOYSA-N 2 2 264.398 2.167 20 30 CEEDLP CCc1cccc(NC(=[NH2+])NCC[NH+]2CCSCC2)c1 ZINC000267473193 394681275 /nfs/dbraw/zinc/68/12/75/394681275.db2.gz YMWPQBYVKSCRMM-UHFFFAOYSA-N 2 2 292.452 2.024 20 30 CEEDLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC000415058192 394868926 /nfs/dbraw/zinc/86/89/26/394868926.db2.gz UQWFUQNFKJFFJK-AWEZNQCLSA-N 2 2 261.369 2.030 20 30 CEEDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCSC1 ZINC000361432522 394829069 /nfs/dbraw/zinc/82/90/69/394829069.db2.gz PIOWDPULKLJTMX-IHRRRGAJSA-N 2 2 267.442 2.096 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339201050 394950215 /nfs/dbraw/zinc/95/02/15/394950215.db2.gz IDNRFNBJAJZDEK-NVXWUHKLSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000339201050 394950218 /nfs/dbraw/zinc/95/02/18/394950218.db2.gz IDNRFNBJAJZDEK-NVXWUHKLSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339201050 394950221 /nfs/dbraw/zinc/95/02/21/394950221.db2.gz IDNRFNBJAJZDEK-NVXWUHKLSA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000339201050 394950223 /nfs/dbraw/zinc/95/02/23/394950223.db2.gz IDNRFNBJAJZDEK-NVXWUHKLSA-N 2 2 288.439 2.148 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000342860335 395025167 /nfs/dbraw/zinc/02/51/67/395025167.db2.gz IJKGEZHPRGDCIA-OAHLLOKOSA-N 2 2 281.444 2.263 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000342860335 395025175 /nfs/dbraw/zinc/02/51/75/395025175.db2.gz IJKGEZHPRGDCIA-OAHLLOKOSA-N 2 2 281.444 2.263 20 30 CEEDLP C[C@@H]1CC[N@H+](CCCSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136083827 394969572 /nfs/dbraw/zinc/96/95/72/394969572.db2.gz TXTCJIAOXDORRU-KGLIPLIRSA-N 2 2 278.425 2.413 20 30 CEEDLP C[C@@H]1CC[N@@H+](CCCSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000136083827 394969575 /nfs/dbraw/zinc/96/95/75/394969575.db2.gz TXTCJIAOXDORRU-KGLIPLIRSA-N 2 2 278.425 2.413 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289775828 395086672 /nfs/dbraw/zinc/08/66/72/395086672.db2.gz KPSCTFAVKAGWNO-GOSISDBHSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289775828 395086675 /nfs/dbraw/zinc/08/66/75/395086675.db2.gz KPSCTFAVKAGWNO-GOSISDBHSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289775828 395086677 /nfs/dbraw/zinc/08/66/77/395086677.db2.gz KPSCTFAVKAGWNO-GOSISDBHSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289775828 395086679 /nfs/dbraw/zinc/08/66/79/395086679.db2.gz KPSCTFAVKAGWNO-GOSISDBHSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OC ZINC000347015479 395117060 /nfs/dbraw/zinc/11/70/60/395117060.db2.gz JNXHMVZIPVFQKR-AWEZNQCLSA-N 2 2 276.380 2.183 20 30 CEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OC ZINC000347015479 395117065 /nfs/dbraw/zinc/11/70/65/395117065.db2.gz JNXHMVZIPVFQKR-AWEZNQCLSA-N 2 2 276.380 2.183 20 30 CEEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411427575 395328761 /nfs/dbraw/zinc/32/87/61/395328761.db2.gz OCZAGJLZHOPSTF-KGLIPLIRSA-N 2 2 260.385 2.367 20 30 CEEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411427575 395328766 /nfs/dbraw/zinc/32/87/66/395328766.db2.gz OCZAGJLZHOPSTF-KGLIPLIRSA-N 2 2 260.385 2.367 20 30 CEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857961 395536641 /nfs/dbraw/zinc/53/66/41/395536641.db2.gz QVQXZCKAQFXKNV-GUYCJALGSA-N 2 2 269.392 2.325 20 30 CEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000567857961 395536643 /nfs/dbraw/zinc/53/66/43/395536643.db2.gz QVQXZCKAQFXKNV-GUYCJALGSA-N 2 2 269.392 2.325 20 30 CEEDLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1C#N ZINC000367414340 156183039 /nfs/dbraw/zinc/18/30/39/156183039.db2.gz CFVQGLLUEMVWSG-UHFFFAOYSA-N 2 2 296.374 2.389 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672859 174371135 /nfs/dbraw/zinc/37/11/35/174371135.db2.gz GBSISCWVGFQLBZ-DZGCQCFKSA-N 2 2 273.380 2.334 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000040672859 174371136 /nfs/dbraw/zinc/37/11/36/174371136.db2.gz GBSISCWVGFQLBZ-DZGCQCFKSA-N 2 2 273.380 2.334 20 30 CEEDLP C=CCCn1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)nn1 ZINC000657433565 414933511 /nfs/dbraw/zinc/93/35/11/414933511.db2.gz VITOYIJUXPFGHQ-HNNXBMFYSA-N 2 2 291.443 2.208 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655730668 415419067 /nfs/dbraw/zinc/41/90/67/415419067.db2.gz KUHIANWESNFWGE-UHFFFAOYSA-N 2 2 288.439 2.350 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000662322219 415776857 /nfs/dbraw/zinc/77/68/57/415776857.db2.gz GHTKYJPEJMKTEZ-GOSISDBHSA-N 2 2 286.419 2.081 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000662322219 415776860 /nfs/dbraw/zinc/77/68/60/415776860.db2.gz GHTKYJPEJMKTEZ-GOSISDBHSA-N 2 2 286.419 2.081 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)O1 ZINC000364288464 262195513 /nfs/dbraw/zinc/19/55/13/262195513.db2.gz FBXNHRYCRKLGIU-QBPKDAKJSA-N 2 2 291.439 2.302 20 30 CEEDLP C=CCOc1ccccc1C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414944120 263154123 /nfs/dbraw/zinc/15/41/23/263154123.db2.gz NNMHOVKIKJMJDR-QGZVFWFLSA-N 2 2 290.407 2.110 20 30 CEEDLP C=CCOCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340595418 263216256 /nfs/dbraw/zinc/21/62/56/263216256.db2.gz KPUGEOVNGOSHMU-UHFFFAOYSA-N 2 2 275.396 2.105 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341308152 263332875 /nfs/dbraw/zinc/33/28/75/263332875.db2.gz WVBKUXWZQKOIDV-RYQLBKOJSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341308152 263332878 /nfs/dbraw/zinc/33/28/78/263332878.db2.gz WVBKUXWZQKOIDV-RYQLBKOJSA-N 2 2 288.435 2.424 20 30 CEEDLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423422865 267221620 /nfs/dbraw/zinc/22/16/20/267221620.db2.gz ZILXJHNEISALAM-IRXDYDNUSA-N 2 2 287.407 2.368 20 30 CEEDLP Cc1cc(NCC[NH+](C(C)C)C(C)C)c(C#N)c[nH+]1 ZINC000399478632 267299689 /nfs/dbraw/zinc/29/96/89/267299689.db2.gz YIMVAOJTOGZOIM-UHFFFAOYSA-N 2 2 260.385 2.214 20 30 CEEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1C#N ZINC000428296746 271255640 /nfs/dbraw/zinc/25/56/40/271255640.db2.gz YQRYTLGUXPUFBN-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1C#N ZINC000428296746 271255643 /nfs/dbraw/zinc/25/56/43/271255643.db2.gz YQRYTLGUXPUFBN-UHFFFAOYSA-N 2 2 272.327 2.416 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000336565666 278387913 /nfs/dbraw/zinc/38/79/13/278387913.db2.gz GCOUAGUNMHYZBY-RISCZKNCSA-N 2 2 266.348 2.489 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000336565666 278387915 /nfs/dbraw/zinc/38/79/15/278387915.db2.gz GCOUAGUNMHYZBY-RISCZKNCSA-N 2 2 266.348 2.489 20 30 CEEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NCC1CCC1 ZINC000262219222 330001877 /nfs/dbraw/zinc/00/18/77/330001877.db2.gz FOZKSSJRUHWHPI-UHFFFAOYSA-N 2 2 285.395 2.049 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827687 330156633 /nfs/dbraw/zinc/15/66/33/330156633.db2.gz FAWXOZPRSLGXSB-BZUAXINKSA-N 3 2 265.445 2.154 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422913489 330160439 /nfs/dbraw/zinc/16/04/39/330160439.db2.gz YONMZZZXDMUSOS-UKRRQHHQSA-N 2 2 260.381 2.339 20 30 CEEDLP C=C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423025122 330165949 /nfs/dbraw/zinc/16/59/49/330165949.db2.gz KQUPECHIFASLCG-SJORKVTESA-N 2 2 272.392 2.056 20 30 CEEDLP C=CCC1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000423151171 330172980 /nfs/dbraw/zinc/17/29/80/330172980.db2.gz CUAPOKCPTKWADV-CABCVRRESA-N 2 2 266.429 2.480 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000451682458 331038975 /nfs/dbraw/zinc/03/89/75/331038975.db2.gz PIRMKFASWGNRSQ-SJORKVTESA-N 2 2 274.408 2.442 20 30 CEEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000451682458 331038976 /nfs/dbraw/zinc/03/89/76/331038976.db2.gz PIRMKFASWGNRSQ-SJORKVTESA-N 2 2 274.408 2.442 20 30 CEEDLP C=CCCCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000487884367 331982944 /nfs/dbraw/zinc/98/29/44/331982944.db2.gz FDBZWCSUKLTIPF-UHFFFAOYSA-N 2 2 276.428 2.284 20 30 CEEDLP C#CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000491770560 332337464 /nfs/dbraw/zinc/33/74/64/332337464.db2.gz QFYKULNIJZFFNT-UHFFFAOYSA-N 2 2 284.403 2.116 20 30 CEEDLP C#CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000491770560 332337466 /nfs/dbraw/zinc/33/74/66/332337466.db2.gz QFYKULNIJZFFNT-UHFFFAOYSA-N 2 2 284.403 2.116 20 30 CEEDLP CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181523109 519967174 /nfs/dbraw/zinc/96/71/74/519967174.db2.gz UUCRYLLLAJEFPA-UHFFFAOYSA-N 2 2 287.407 2.149 20 30 CEEDLP C[NH+](C)CC1CCC(/[NH+]=C\c2ccc(O)c(O)c2O)CC1 ZINC000749582570 575226277 /nfs/dbraw/zinc/22/62/77/575226277.db2.gz PBURUJVUPJRIQL-MFOYZWKCSA-N 2 2 292.379 2.343 20 30 CEEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000925214886 631176964 /nfs/dbraw/zinc/17/69/64/631176964.db2.gz NQKJVDIHRPBMAU-JSGCOSHPSA-N 2 2 269.458 2.342 20 30 CEEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000069671189 622670587 /nfs/dbraw/zinc/67/05/87/622670587.db2.gz KYWQFFFNTYABOW-GJZGRUSLSA-N 2 2 287.407 2.147 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1sccc1Cl ZINC000328280866 627873884 /nfs/dbraw/zinc/87/38/84/627873884.db2.gz POHRUEXJWIVJDC-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1sccc1Cl ZINC000328280866 627873886 /nfs/dbraw/zinc/87/38/86/627873886.db2.gz POHRUEXJWIVJDC-UHFFFAOYSA-N 2 2 256.802 2.446 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894638814 629568103 /nfs/dbraw/zinc/56/81/03/629568103.db2.gz HCKPOQXBYBNTHG-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894638814 629568107 /nfs/dbraw/zinc/56/81/07/629568107.db2.gz HCKPOQXBYBNTHG-UHFFFAOYSA-N 2 2 266.772 2.090 20 30 CEEDLP C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+]1CCCC1 ZINC000902756331 634812127 /nfs/dbraw/zinc/81/21/27/634812127.db2.gz XIALNPSMAVDPAB-KGLIPLIRSA-N 2 2 272.396 2.336 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC(C)(C)C#N)cc1 ZINC000799961494 631094271 /nfs/dbraw/zinc/09/42/71/631094271.db2.gz PHSZAYRPGSXZCW-UHFFFAOYSA-N 2 2 288.395 2.325 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000989033865 631717827 /nfs/dbraw/zinc/71/78/27/631717827.db2.gz AXIRNOSURPPFPA-GXTWGEPZSA-N 2 2 298.390 2.332 20 30 CEEDLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1C#N ZINC000817915254 633774920 /nfs/dbraw/zinc/77/49/20/633774920.db2.gz JUKBTGSAUIMKDZ-SWLSCSKDSA-N 2 2 273.380 2.187 20 30 CEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000817941995 633789566 /nfs/dbraw/zinc/78/95/66/633789566.db2.gz VLZVZIPLMHETJK-HIFRSBDPSA-N 2 2 258.365 2.101 20 30 CEEDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817983893 633827542 /nfs/dbraw/zinc/82/75/42/633827542.db2.gz KZMOYEUYJKGDBJ-DZGCQCFKSA-N 2 2 273.380 2.382 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819023834 634043807 /nfs/dbraw/zinc/04/38/07/634043807.db2.gz KBUNEMKFGBDFBF-INIZCTEOSA-N 2 2 278.371 2.099 20 30 CEEDLP C#Cc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000825226885 635594686 /nfs/dbraw/zinc/59/46/86/635594686.db2.gz NUCZZIVMNDQKAH-UHFFFAOYSA-N 2 2 285.416 2.476 20 30 CEEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000827570203 636357513 /nfs/dbraw/zinc/35/75/13/636357513.db2.gz JFARREYODJLHFA-SFHVURJKSA-N 2 2 295.386 2.390 20 30 CEEDLP COc1cccc(/C=[NH+]\C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756199 641413620 /nfs/dbraw/zinc/41/36/20/641413620.db2.gz HIANDLGWTWXGIF-XZWZMMNPSA-N 2 2 262.353 2.160 20 30 CEEDLP CN(C)C(NCc1ccccc1)=[NH+]CCCCn1cc[nH+]c1 ZINC000848995630 642215927 /nfs/dbraw/zinc/21/59/27/642215927.db2.gz XJNIUPURYBYFMH-UHFFFAOYSA-N 2 2 299.422 2.371 20 30 CEEDLP C=CCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001003294015 642923822 /nfs/dbraw/zinc/92/38/22/642923822.db2.gz URZBBRLVMPLTMH-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP C#C[C@](C)(CC)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000852103390 643309107 /nfs/dbraw/zinc/30/91/07/643309107.db2.gz GMTAFTOMWYOSMU-GOSISDBHSA-N 2 2 286.419 2.410 20 30 CEEDLP C=CC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005582414 643422563 /nfs/dbraw/zinc/42/25/63/643422563.db2.gz CTKQJEWJEADMHC-UHFFFAOYSA-N 2 2 298.390 2.285 20 30 CEEDLP C#CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000922997916 643505285 /nfs/dbraw/zinc/50/52/85/643505285.db2.gz ODQJPUPWSYTNDK-UHFFFAOYSA-N 2 2 263.410 2.240 20 30 CEEDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742177 650885810 /nfs/dbraw/zinc/88/58/10/650885810.db2.gz CFOGTNBDRMWDET-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742177 650885814 /nfs/dbraw/zinc/88/58/14/650885814.db2.gz CFOGTNBDRMWDET-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742177 650885817 /nfs/dbraw/zinc/88/58/17/650885817.db2.gz CFOGTNBDRMWDET-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@H]21 ZINC000877742177 650885821 /nfs/dbraw/zinc/88/58/21/650885821.db2.gz CFOGTNBDRMWDET-HZPDHXFCSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742175 650886170 /nfs/dbraw/zinc/88/61/70/650886170.db2.gz CFOGTNBDRMWDET-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742175 650886172 /nfs/dbraw/zinc/88/61/72/650886172.db2.gz CFOGTNBDRMWDET-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742175 650886175 /nfs/dbraw/zinc/88/61/75/650886175.db2.gz CFOGTNBDRMWDET-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC000877742175 650886181 /nfs/dbraw/zinc/88/61/81/650886181.db2.gz CFOGTNBDRMWDET-HOTGVXAUSA-N 2 2 255.365 2.084 20 30 CEEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000764416691 645637816 /nfs/dbraw/zinc/63/78/16/645637816.db2.gz MLSYWDMROGVFOQ-UHFFFAOYSA-N 2 2 288.326 2.068 20 30 CEEDLP C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000873280716 649623446 /nfs/dbraw/zinc/62/34/46/649623446.db2.gz VJIOYHXVMVOMBZ-UONOGXRCSA-N 2 2 254.418 2.335 20 30 CEEDLP C=CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001266602366 802758920 /nfs/dbraw/zinc/75/89/20/802758920.db2.gz CZSMPSLCWLCOQL-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP C=CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001266602366 802758924 /nfs/dbraw/zinc/75/89/24/802758924.db2.gz CZSMPSLCWLCOQL-UHFFFAOYSA-N 2 2 298.390 2.105 20 30 CEEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429319 802803106 /nfs/dbraw/zinc/80/31/06/802803106.db2.gz RPGPLVJUOZTXOR-GJZGRUSLSA-N 2 2 292.427 2.285 20 30 CEEDLP C#CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC001118635001 815032383 /nfs/dbraw/zinc/03/23/83/815032383.db2.gz UEPQOPNEECLIMN-UHFFFAOYSA-N 2 2 266.348 2.113 20 30 CEEDLP C#CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC001118635001 815032388 /nfs/dbraw/zinc/03/23/88/815032388.db2.gz UEPQOPNEECLIMN-UHFFFAOYSA-N 2 2 266.348 2.113 20 30 CEEDLP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268747804 804958301 /nfs/dbraw/zinc/95/83/01/804958301.db2.gz CIMSGMYFPHADOS-HUUCEWRRSA-N 2 2 292.427 2.237 20 30 CEEDLP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268747804 804958306 /nfs/dbraw/zinc/95/83/06/804958306.db2.gz CIMSGMYFPHADOS-HUUCEWRRSA-N 2 2 292.427 2.237 20 30 CEEDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052906 815192612 /nfs/dbraw/zinc/19/26/12/815192612.db2.gz AYFIEOCFNKJIRN-DOTOQJQBSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052906 815192615 /nfs/dbraw/zinc/19/26/15/815192615.db2.gz AYFIEOCFNKJIRN-DOTOQJQBSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC#Cc1ccccc1 ZINC001120052906 815192618 /nfs/dbraw/zinc/19/26/18/815192618.db2.gz AYFIEOCFNKJIRN-DOTOQJQBSA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC001120052906 815192621 /nfs/dbraw/zinc/19/26/21/815192621.db2.gz AYFIEOCFNKJIRN-DOTOQJQBSA-N 2 2 256.393 2.310 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680183 /nfs/dbraw/zinc/68/01/83/815680183.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 2 261.413 2.485 20 30 CEEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680185 /nfs/dbraw/zinc/68/01/85/815680185.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680189 /nfs/dbraw/zinc/68/01/89/815680189.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 2 261.413 2.485 20 30 CEEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680193 /nfs/dbraw/zinc/68/01/93/815680193.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 2 261.413 2.485 20 30 CEEDLP C=CCn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC001139771311 816112108 /nfs/dbraw/zinc/11/21/08/816112108.db2.gz WQKWXFGUSGNBRZ-MRXNPFEDSA-N 2 2 284.363 2.117 20 30 CEEDLP C=CCn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC001139771311 816112112 /nfs/dbraw/zinc/11/21/12/816112112.db2.gz WQKWXFGUSGNBRZ-MRXNPFEDSA-N 2 2 284.363 2.117 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037157777 361900171 /nfs/dbraw/zinc/90/01/71/361900171.db2.gz UGNWNMXXYHOGEP-STQMWFEESA-N 2 2 254.337 2.494 20 30 CEEDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037644948 361918415 /nfs/dbraw/zinc/91/84/15/361918415.db2.gz FKKXOVFGRBMPPI-ZDUSSCGKSA-N 2 2 261.344 2.129 20 30 CEEDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037644948 361918420 /nfs/dbraw/zinc/91/84/20/361918420.db2.gz FKKXOVFGRBMPPI-ZDUSSCGKSA-N 2 2 261.344 2.129 20 30 CEEDLP CC1(C)CCC[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329535330 539241565 /nfs/dbraw/zinc/24/15/65/539241565.db2.gz ZGGDXNSCPDIKGZ-UHFFFAOYSA-N 2 2 278.400 2.421 20 30 CEEDLP CC1(C)CCC[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329535330 539241566 /nfs/dbraw/zinc/24/15/66/539241566.db2.gz ZGGDXNSCPDIKGZ-UHFFFAOYSA-N 2 2 278.400 2.421 20 30 CEEDLP CC1(C)CCC[N@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329535330 539241567 /nfs/dbraw/zinc/24/15/67/539241567.db2.gz ZGGDXNSCPDIKGZ-UHFFFAOYSA-N 2 2 278.400 2.421 20 30 CEEDLP CC1(C)CCC[N@@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329535330 539241568 /nfs/dbraw/zinc/24/15/68/539241568.db2.gz ZGGDXNSCPDIKGZ-UHFFFAOYSA-N 2 2 278.400 2.421 20 30 CEEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004421 344133596 /nfs/dbraw/zinc/13/35/96/344133596.db2.gz PKGVBQPVQHHCBU-LSDHHAIUSA-N 2 2 277.412 2.002 20 30 CEEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004421 344133597 /nfs/dbraw/zinc/13/35/97/344133597.db2.gz PKGVBQPVQHHCBU-LSDHHAIUSA-N 2 2 277.412 2.002 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602473595 347048022 /nfs/dbraw/zinc/04/80/22/347048022.db2.gz BLXNCCWJICRPCA-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602473595 347048024 /nfs/dbraw/zinc/04/80/24/347048024.db2.gz BLXNCCWJICRPCA-AWEZNQCLSA-N 2 2 272.396 2.117 20 30 CEEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000491815153 344914867 /nfs/dbraw/zinc/91/48/67/344914867.db2.gz KPZWQHDKCBZIHZ-AWEZNQCLSA-N 2 2 257.381 2.047 20 30 CEEDLP N#Cc1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)cc1 ZINC000594033363 345570011 /nfs/dbraw/zinc/57/00/11/345570011.db2.gz NVTOLQYWJIOKAL-UHFFFAOYSA-N 2 2 252.321 2.450 20 30 CEEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917267 345701442 /nfs/dbraw/zinc/70/14/42/345701442.db2.gz IQBULHOZUQGESI-INIZCTEOSA-N 2 2 269.392 2.426 20 30 CEEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917267 345701444 /nfs/dbraw/zinc/70/14/44/345701444.db2.gz IQBULHOZUQGESI-INIZCTEOSA-N 2 2 269.392 2.426 20 30 CEEDLP C=CCCSCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000595058322 345736812 /nfs/dbraw/zinc/73/68/12/345736812.db2.gz HNKLYKVVAIDCHF-OCCSQVGLSA-N 2 2 254.443 2.368 20 30 CEEDLP C=CCCSCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000595058322 345736814 /nfs/dbraw/zinc/73/68/14/345736814.db2.gz HNKLYKVVAIDCHF-OCCSQVGLSA-N 2 2 254.443 2.368 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000595907192 345911145 /nfs/dbraw/zinc/91/11/45/345911145.db2.gz SJEGCHRLEJJZLB-CYBMUJFWSA-N 2 2 293.436 2.162 20 30 CEEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000595907192 345911150 /nfs/dbraw/zinc/91/11/50/345911150.db2.gz SJEGCHRLEJJZLB-CYBMUJFWSA-N 2 2 293.436 2.162 20 30 CEEDLP CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000600705594 346674273 /nfs/dbraw/zinc/67/42/73/346674273.db2.gz SEBAXQUXSMVGSR-MRXNPFEDSA-N 2 2 257.381 2.441 20 30 CEEDLP CCC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000600705594 346674275 /nfs/dbraw/zinc/67/42/75/346674275.db2.gz SEBAXQUXSMVGSR-MRXNPFEDSA-N 2 2 257.381 2.441 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000600752832 346684137 /nfs/dbraw/zinc/68/41/37/346684137.db2.gz ZQSAJKGPPAUKCE-HZPDHXFCSA-N 2 2 291.439 2.038 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000600752832 346684143 /nfs/dbraw/zinc/68/41/43/346684143.db2.gz ZQSAJKGPPAUKCE-HZPDHXFCSA-N 2 2 291.439 2.038 20 30 CEEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000610412797 347680149 /nfs/dbraw/zinc/68/01/49/347680149.db2.gz NEUOFLPLKXCLFF-ZDUSSCGKSA-N 2 2 255.431 2.096 20 30 CEEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000610412797 347680151 /nfs/dbraw/zinc/68/01/51/347680151.db2.gz NEUOFLPLKXCLFF-ZDUSSCGKSA-N 2 2 255.431 2.096 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730219 /nfs/dbraw/zinc/73/02/19/347730219.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730221 /nfs/dbraw/zinc/73/02/21/347730221.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730224 /nfs/dbraw/zinc/73/02/24/347730224.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730226 /nfs/dbraw/zinc/73/02/26/347730226.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 2 272.396 2.258 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623889168 350135324 /nfs/dbraw/zinc/13/53/24/350135324.db2.gz GDPCMLXDBDTBBT-ZFWWWQNUSA-N 2 2 252.402 2.184 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)noc2C)CC1 ZINC000106245876 186105198 /nfs/dbraw/zinc/10/51/98/186105198.db2.gz QIIZGUMICQAACG-UHFFFAOYSA-N 2 2 263.385 2.422 20 30 CEEDLP C=CCc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(OC)c1O ZINC000629395846 351349465 /nfs/dbraw/zinc/34/94/65/351349465.db2.gz GLPHPVRTQVYHJL-DOMZBBRYSA-N 2 2 290.407 2.359 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123418448 187090546 /nfs/dbraw/zinc/09/05/46/187090546.db2.gz WRHFVWZPCAHATD-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123418448 187090547 /nfs/dbraw/zinc/09/05/47/187090547.db2.gz WRHFVWZPCAHATD-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418448 187090548 /nfs/dbraw/zinc/09/05/48/187090548.db2.gz WRHFVWZPCAHATD-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1C ZINC000123418448 187090549 /nfs/dbraw/zinc/09/05/49/187090549.db2.gz WRHFVWZPCAHATD-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H](C)C1 ZINC000072894709 363179360 /nfs/dbraw/zinc/17/93/60/363179360.db2.gz HPWQLWZCSCMCCK-ZDUSSCGKSA-N 2 2 289.427 2.027 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1C#N ZINC000336382941 213237179 /nfs/dbraw/zinc/23/71/79/213237179.db2.gz GALSBDJGVALQSU-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1C#N ZINC000336382941 213237180 /nfs/dbraw/zinc/23/71/80/213237180.db2.gz GALSBDJGVALQSU-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000336382941 213237182 /nfs/dbraw/zinc/23/71/82/213237182.db2.gz GALSBDJGVALQSU-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1C#N ZINC000336382941 213237185 /nfs/dbraw/zinc/23/71/85/213237185.db2.gz GALSBDJGVALQSU-DOTOQJQBSA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000336382944 213237050 /nfs/dbraw/zinc/23/70/50/213237050.db2.gz GALSBDJGVALQSU-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000336382944 213237052 /nfs/dbraw/zinc/23/70/52/213237052.db2.gz GALSBDJGVALQSU-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000336382944 213237055 /nfs/dbraw/zinc/23/70/55/213237055.db2.gz GALSBDJGVALQSU-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000336382944 213237057 /nfs/dbraw/zinc/23/70/57/213237057.db2.gz GALSBDJGVALQSU-WBVHZDCISA-N 2 2 269.392 2.393 20 30 CEEDLP C#CCOc1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000273554699 192202184 /nfs/dbraw/zinc/20/21/84/192202184.db2.gz DBMQFLBZRKSTIG-UHFFFAOYSA-N 2 2 295.386 2.449 20 30 CEEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000339053052 366631401 /nfs/dbraw/zinc/63/14/01/366631401.db2.gz COBBYVIIRQYZAZ-UHFFFAOYSA-N 2 2 291.358 2.242 20 30 CEEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC000237880237 370756035 /nfs/dbraw/zinc/75/60/35/370756035.db2.gz INFACCZHOPBFDM-HNNXBMFYSA-N 2 2 266.348 2.168 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000335997517 365270838 /nfs/dbraw/zinc/27/08/38/365270838.db2.gz CDVOQFNMUUZTEU-NSHDSACASA-N 2 2 272.377 2.343 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000335997517 365270841 /nfs/dbraw/zinc/27/08/41/365270841.db2.gz CDVOQFNMUUZTEU-NSHDSACASA-N 2 2 272.377 2.343 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120921679 365495121 /nfs/dbraw/zinc/49/51/21/365495121.db2.gz DEHNVJBSTLAWFD-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120921679 365495125 /nfs/dbraw/zinc/49/51/25/365495125.db2.gz DEHNVJBSTLAWFD-CYBMUJFWSA-N 2 2 261.344 2.081 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972665 366984579 /nfs/dbraw/zinc/98/45/79/366984579.db2.gz OBHJQLYZMKZFKE-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972665 366984580 /nfs/dbraw/zinc/98/45/80/366984580.db2.gz OBHJQLYZMKZFKE-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972665 366984582 /nfs/dbraw/zinc/98/45/82/366984582.db2.gz OBHJQLYZMKZFKE-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000582972665 366984584 /nfs/dbraw/zinc/98/45/84/366984584.db2.gz OBHJQLYZMKZFKE-BBRMVZONSA-N 2 2 272.396 2.115 20 30 CEEDLP C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000340880809 367070851 /nfs/dbraw/zinc/07/08/51/367070851.db2.gz CMLCPNKEPKYVRE-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000340880809 367070856 /nfs/dbraw/zinc/07/08/56/367070856.db2.gz CMLCPNKEPKYVRE-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@H]1CCC[N@H+](C)C1 ZINC000340880809 367070858 /nfs/dbraw/zinc/07/08/58/367070858.db2.gz CMLCPNKEPKYVRE-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000340880809 367070863 /nfs/dbraw/zinc/07/08/63/367070863.db2.gz CMLCPNKEPKYVRE-ZDUSSCGKSA-N 2 2 275.371 2.471 20 30 CEEDLP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000682533881 541678150 /nfs/dbraw/zinc/67/81/50/541678150.db2.gz ILVHCBXLQAIMLZ-GOEBONIOSA-N 2 2 259.397 2.458 20 30 CEEDLP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000682533881 541678153 /nfs/dbraw/zinc/67/81/53/541678153.db2.gz ILVHCBXLQAIMLZ-GOEBONIOSA-N 2 2 259.397 2.458 20 30 CEEDLP C=CC[NH+](CC=C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634637675 368790711 /nfs/dbraw/zinc/79/07/11/368790711.db2.gz ZALHZUBZPAPIKO-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](CC=C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637675 368790716 /nfs/dbraw/zinc/79/07/16/368790716.db2.gz ZALHZUBZPAPIKO-GOSISDBHSA-N 2 2 286.419 2.297 20 30 CEEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343676 369702951 /nfs/dbraw/zinc/70/29/51/369702951.db2.gz LNVXQJVYVFPWLC-OAHLLOKOSA-N 2 2 297.406 2.493 20 30 CEEDLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261637830 371687704 /nfs/dbraw/zinc/68/77/04/371687704.db2.gz IAKDFHLTJAYSDZ-SWLSCSKDSA-N 2 2 273.380 2.126 20 30 CEEDLP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1C#N ZINC000261637830 371687711 /nfs/dbraw/zinc/68/77/11/371687711.db2.gz IAKDFHLTJAYSDZ-SWLSCSKDSA-N 2 2 273.380 2.126 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000264063453 371959608 /nfs/dbraw/zinc/95/96/08/371959608.db2.gz AFTDWIMZOYOYJZ-LBPRGKRZSA-N 2 2 294.468 2.199 20 30 CEEDLP CCCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000264063453 371959610 /nfs/dbraw/zinc/95/96/10/371959610.db2.gz AFTDWIMZOYOYJZ-LBPRGKRZSA-N 2 2 294.468 2.199 20 30 CEEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000268732123 372198523 /nfs/dbraw/zinc/19/85/23/372198523.db2.gz XPDCGUXMJCGCDF-INIZCTEOSA-N 2 2 296.374 2.194 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274351714 373890587 /nfs/dbraw/zinc/89/05/87/373890587.db2.gz KNVLNTOVGAAAOY-NXHRZFHOSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000274351714 373890590 /nfs/dbraw/zinc/89/05/90/373890590.db2.gz KNVLNTOVGAAAOY-NXHRZFHOSA-N 2 2 288.435 2.424 20 30 CEEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000371834839 373989300 /nfs/dbraw/zinc/98/93/00/373989300.db2.gz NRWCWNOCTFVBHF-QGZVFWFLSA-N 2 2 292.398 2.317 20 30 CEEDLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000282244643 375437382 /nfs/dbraw/zinc/43/73/82/375437382.db2.gz JFWAKWOIOKYULI-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1C#N ZINC000282244643 375437388 /nfs/dbraw/zinc/43/73/88/375437388.db2.gz JFWAKWOIOKYULI-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1C#N ZINC000282244643 375437395 /nfs/dbraw/zinc/43/73/95/375437395.db2.gz JFWAKWOIOKYULI-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1C#N ZINC000282244643 375437402 /nfs/dbraw/zinc/43/74/02/375437402.db2.gz JFWAKWOIOKYULI-HOCLYGCPSA-N 2 2 285.391 2.093 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000420321816 376684040 /nfs/dbraw/zinc/68/40/40/376684040.db2.gz RVQKCWBAFOVIOU-DOMZBBRYSA-N 2 2 289.423 2.143 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000420321816 376684049 /nfs/dbraw/zinc/68/40/49/376684049.db2.gz RVQKCWBAFOVIOU-DOMZBBRYSA-N 2 2 289.423 2.143 20 30 CEEDLP C=C(C)[C@@H](CO)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000685579654 542162715 /nfs/dbraw/zinc/16/27/15/542162715.db2.gz BJGMWXUDEHBYOS-OAHLLOKOSA-N 2 2 276.380 2.170 20 30 CEEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C[NH2+]C ZINC000521446595 379530949 /nfs/dbraw/zinc/53/09/49/379530949.db2.gz GTIHQZGTEJFSBJ-CYBMUJFWSA-N 2 2 288.844 2.360 20 30 CEEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C[NH2+]C ZINC000521446595 379530960 /nfs/dbraw/zinc/53/09/60/379530960.db2.gz GTIHQZGTEJFSBJ-CYBMUJFWSA-N 2 2 288.844 2.360 20 30 CEEDLP CC(C)(C#N)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726670 380067211 /nfs/dbraw/zinc/06/72/11/380067211.db2.gz KEOSAZYHJNCLLU-UHFFFAOYSA-N 2 2 279.428 2.113 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000404696945 533444037 /nfs/dbraw/zinc/44/40/37/533444037.db2.gz WKMNTLWTFSDNNO-ABAIWWIYSA-N 2 2 261.344 2.318 20 30 CEEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCCC1 ZINC000303866019 394480821 /nfs/dbraw/zinc/48/08/21/394480821.db2.gz CDHCEABELGDVGH-UHFFFAOYSA-N 2 2 283.379 2.173 20 30 CEEDLP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328919917 394557363 /nfs/dbraw/zinc/55/73/63/394557363.db2.gz LPJXQVAURKHDSK-ZDUSSCGKSA-N 2 2 290.411 2.275 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248488396 394541738 /nfs/dbraw/zinc/54/17/38/394541738.db2.gz GTKPGHAWOMRMND-HYVNUMGLSA-N 2 2 274.408 2.349 20 30 CEEDLP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248488396 394541743 /nfs/dbraw/zinc/54/17/43/394541743.db2.gz GTKPGHAWOMRMND-HYVNUMGLSA-N 2 2 274.408 2.349 20 30 CEEDLP N#CCC[C@H](C#N)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267487269 394680927 /nfs/dbraw/zinc/68/09/27/394680927.db2.gz MEDLXJDUYVXWNJ-GFCCVEGCSA-N 2 2 257.341 2.033 20 30 CEEDLP CC(C)CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000104178787 394718750 /nfs/dbraw/zinc/71/87/50/394718750.db2.gz WNKGWVIKUKOTHY-UHFFFAOYSA-N 2 2 289.358 2.072 20 30 CEEDLP C=CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284253130 394941952 /nfs/dbraw/zinc/94/19/52/394941952.db2.gz WJXCKOWKGLGNIX-QGZVFWFLSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284253130 394941956 /nfs/dbraw/zinc/94/19/56/394941956.db2.gz WJXCKOWKGLGNIX-QGZVFWFLSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284253130 394941958 /nfs/dbraw/zinc/94/19/58/394941958.db2.gz WJXCKOWKGLGNIX-QGZVFWFLSA-N 2 2 274.408 2.395 20 30 CEEDLP C=CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284253130 394941962 /nfs/dbraw/zinc/94/19/62/394941962.db2.gz WJXCKOWKGLGNIX-QGZVFWFLSA-N 2 2 274.408 2.395 20 30 CEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000342860334 395025370 /nfs/dbraw/zinc/02/53/70/395025370.db2.gz IJKGEZHPRGDCIA-HNNXBMFYSA-N 2 2 281.444 2.263 20 30 CEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000342860334 395025373 /nfs/dbraw/zinc/02/53/73/395025373.db2.gz IJKGEZHPRGDCIA-HNNXBMFYSA-N 2 2 281.444 2.263 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373812843 395066044 /nfs/dbraw/zinc/06/60/44/395066044.db2.gz PIZUELRYTBCXLP-QRVBRYPASA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373812843 395066047 /nfs/dbraw/zinc/06/60/47/395066047.db2.gz PIZUELRYTBCXLP-QRVBRYPASA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373812843 395066051 /nfs/dbraw/zinc/06/60/51/395066051.db2.gz PIZUELRYTBCXLP-QRVBRYPASA-N 2 2 280.415 2.454 20 30 CEEDLP C(#Cc1ccccc1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373812843 395066055 /nfs/dbraw/zinc/06/60/55/395066055.db2.gz PIZUELRYTBCXLP-QRVBRYPASA-N 2 2 280.415 2.454 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000293053462 395215936 /nfs/dbraw/zinc/21/59/36/395215936.db2.gz SHFMZPMTOGBRDF-UHFFFAOYSA-N 2 2 298.381 2.278 20 30 CEEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000567693498 395534898 /nfs/dbraw/zinc/53/48/98/395534898.db2.gz UUXBZFKFDPBEMM-IAGOWNOFSA-N 2 2 287.407 2.027 20 30 CEEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC#N ZINC000567693498 395534900 /nfs/dbraw/zinc/53/49/00/395534900.db2.gz UUXBZFKFDPBEMM-IAGOWNOFSA-N 2 2 287.407 2.027 20 30 CEEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383142 395666216 /nfs/dbraw/zinc/66/62/16/395666216.db2.gz FLDVBEJRYDBSQF-UHFFFAOYSA-N 2 2 299.334 2.185 20 30 CEEDLP C=CCOCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000658210285 415259262 /nfs/dbraw/zinc/25/92/62/415259262.db2.gz PHVBNDOAXYTDFH-UHFFFAOYSA-N 2 2 289.423 2.228 20 30 CEEDLP N#CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002296 /nfs/dbraw/zinc/00/22/96/260002296.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002298 /nfs/dbraw/zinc/00/22/98/260002298.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002300 /nfs/dbraw/zinc/00/23/00/260002300.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 2 269.392 2.354 20 30 CEEDLP N#CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002301 /nfs/dbraw/zinc/00/23/01/260002301.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 2 269.392 2.354 20 30 CEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCOCCC#N)CC1 ZINC000294165661 263156792 /nfs/dbraw/zinc/15/67/92/263156792.db2.gz PSCLENGISZHBLR-UHFFFAOYSA-N 2 2 289.379 2.164 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368219339 267152836 /nfs/dbraw/zinc/15/28/36/267152836.db2.gz BVNARUBNFXGYGD-AWEZNQCLSA-N 2 2 281.359 2.069 20 30 CEEDLP C#CCOc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368219339 267152838 /nfs/dbraw/zinc/15/28/38/267152838.db2.gz BVNARUBNFXGYGD-AWEZNQCLSA-N 2 2 281.359 2.069 20 30 CEEDLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000459542618 267278384 /nfs/dbraw/zinc/27/83/84/267278384.db2.gz ARRPWZCNPPUQMY-UHFFFAOYSA-N 2 2 275.396 2.257 20 30 CEEDLP N#CC1(c2ccccn2)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000370307707 267307545 /nfs/dbraw/zinc/30/75/45/267307545.db2.gz IUXMZFBALXVWIJ-UHFFFAOYSA-N 2 2 298.434 2.425 20 30 CEEDLP Cc1cc(N(C)CC2CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000399553416 267331913 /nfs/dbraw/zinc/33/19/13/267331913.db2.gz COHFYHFFUQCIBL-UHFFFAOYSA-N 2 2 258.369 2.040 20 30 CEEDLP Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425231139 271141898 /nfs/dbraw/zinc/14/18/98/271141898.db2.gz MUXYSEYVPWKZRI-HNNXBMFYSA-N 2 2 284.407 2.430 20 30 CEEDLP Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425231139 271141906 /nfs/dbraw/zinc/14/19/06/271141906.db2.gz MUXYSEYVPWKZRI-HNNXBMFYSA-N 2 2 284.407 2.430 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000535045173 298181508 /nfs/dbraw/zinc/18/15/08/298181508.db2.gz ABJCIBUMGPCUOL-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000535045173 298181512 /nfs/dbraw/zinc/18/15/12/298181512.db2.gz ABJCIBUMGPCUOL-CYBMUJFWSA-N 2 2 284.338 2.420 20 30 CEEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000378391190 329048640 /nfs/dbraw/zinc/04/86/40/329048640.db2.gz WIZMSOAVJDPBEN-UHFFFAOYSA-N 2 2 254.337 2.418 20 30 CEEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000378391190 329048642 /nfs/dbraw/zinc/04/86/42/329048642.db2.gz WIZMSOAVJDPBEN-UHFFFAOYSA-N 2 2 254.337 2.418 20 30 CEEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000184090582 329256118 /nfs/dbraw/zinc/25/61/18/329256118.db2.gz NPDWRTOIYVTADG-HNNXBMFYSA-N 2 2 272.396 2.328 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422913683 330160292 /nfs/dbraw/zinc/16/02/92/330160292.db2.gz ZCRNOBSHASKFJX-ZFWWWQNUSA-N 2 2 260.381 2.482 20 30 CEEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422994475 330163237 /nfs/dbraw/zinc/16/32/37/330163237.db2.gz HUGTWPZWBDYCJJ-PVAVHDDUSA-N 2 2 287.407 2.388 20 30 CEEDLP C=C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423025121 330165890 /nfs/dbraw/zinc/16/58/90/330165890.db2.gz KQUPECHIFASLCG-IRXDYDNUSA-N 2 2 272.392 2.056 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C1CC1 ZINC000120909643 330394008 /nfs/dbraw/zinc/39/40/08/330394008.db2.gz RVBSHCNQXXIIIE-HOTGVXAUSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C1CC1 ZINC000120909643 330394009 /nfs/dbraw/zinc/39/40/09/330394009.db2.gz RVBSHCNQXXIIIE-HOTGVXAUSA-N 2 2 266.429 2.432 20 30 CEEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000121275719 330399130 /nfs/dbraw/zinc/39/91/30/330399130.db2.gz BSQSYLIVNFAWPK-GDBMZVCRSA-N 2 2 266.429 2.289 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+](CCCCC#N)CC2)c1 ZINC000166127631 331306558 /nfs/dbraw/zinc/30/65/58/331306558.db2.gz CNFFXRRXPFZMFU-UHFFFAOYSA-N 2 2 258.369 2.206 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159139 /nfs/dbraw/zinc/15/91/39/332159139.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159140 /nfs/dbraw/zinc/15/91/40/332159140.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159141 /nfs/dbraw/zinc/15/91/41/332159141.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 3 2 299.462 2.367 20 30 CEEDLP C#CC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159142 /nfs/dbraw/zinc/15/91/42/332159142.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 3 2 299.462 2.367 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174781839 333007354 /nfs/dbraw/zinc/00/73/54/333007354.db2.gz FYWXRQGDQNVUFS-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174781839 333007356 /nfs/dbraw/zinc/00/73/56/333007356.db2.gz FYWXRQGDQNVUFS-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174781839 333007357 /nfs/dbraw/zinc/00/73/57/333007357.db2.gz FYWXRQGDQNVUFS-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174781839 333007359 /nfs/dbraw/zinc/00/73/59/333007359.db2.gz FYWXRQGDQNVUFS-HZPDHXFCSA-N 2 2 295.471 2.073 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000183272286 518858891 /nfs/dbraw/zinc/85/88/91/518858891.db2.gz KEGNOCBJRXWACN-HNNXBMFYSA-N 2 2 274.412 2.111 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353687030 526901382 /nfs/dbraw/zinc/90/13/82/526901382.db2.gz LKBNPFBJEHEWKI-RDJZCZTQSA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353687030 526901391 /nfs/dbraw/zinc/90/13/91/526901391.db2.gz LKBNPFBJEHEWKI-RDJZCZTQSA-N 2 2 272.392 2.435 20 30 CEEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(C#N)c1 ZINC000177326698 527899670 /nfs/dbraw/zinc/89/96/70/527899670.db2.gz HTXUVPVGUGIWIU-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(C#N)c1 ZINC000177326698 527899672 /nfs/dbraw/zinc/89/96/72/527899672.db2.gz HTXUVPVGUGIWIU-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(C#N)c1 ZINC000177326698 527899678 /nfs/dbraw/zinc/89/96/78/527899678.db2.gz HTXUVPVGUGIWIU-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(C#N)c1 ZINC000177326698 527899680 /nfs/dbraw/zinc/89/96/80/527899680.db2.gz HTXUVPVGUGIWIU-SJORKVTESA-N 2 2 299.418 2.496 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682252 574490698 /nfs/dbraw/zinc/49/06/98/574490698.db2.gz YIYPGGPQAAGKAM-UKRRQHHQSA-N 2 2 285.391 2.304 20 30 CEEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682252 574490699 /nfs/dbraw/zinc/49/06/99/574490699.db2.gz YIYPGGPQAAGKAM-UKRRQHHQSA-N 2 2 285.391 2.304 20 30 CEEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OC ZINC000729681651 574490792 /nfs/dbraw/zinc/49/07/92/574490792.db2.gz GZXHAEIVHBJXLG-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729681651 574490793 /nfs/dbraw/zinc/49/07/93/574490793.db2.gz GZXHAEIVHBJXLG-HNNXBMFYSA-N 2 2 290.407 2.444 20 30 CEEDLP C[NH+](C)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000733610414 574682564 /nfs/dbraw/zinc/68/25/64/574682564.db2.gz UXOCLJDXLMEXGL-UHFFFAOYSA-N 2 2 273.380 2.115 20 30 CEEDLP C#CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000747528010 575171730 /nfs/dbraw/zinc/17/17/30/575171730.db2.gz HOIGGDOMVMTDPE-PKOBYXMFSA-N 2 2 298.430 2.066 20 30 CEEDLP C#CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000747528010 575171731 /nfs/dbraw/zinc/17/17/31/575171731.db2.gz HOIGGDOMVMTDPE-PKOBYXMFSA-N 2 2 298.430 2.066 20 30 CEEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450396 613789290 /nfs/dbraw/zinc/78/92/90/613789290.db2.gz TZSSMSWVKQMIGG-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450396 613789292 /nfs/dbraw/zinc/78/92/92/613789292.db2.gz TZSSMSWVKQMIGG-JSGCOSHPSA-N 2 2 298.390 2.332 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926609810 625276938 /nfs/dbraw/zinc/27/69/38/625276938.db2.gz BAFKXTKTNGSZNQ-JJXSEGSLSA-N 2 2 264.413 2.184 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926609810 625276949 /nfs/dbraw/zinc/27/69/49/625276949.db2.gz BAFKXTKTNGSZNQ-JJXSEGSLSA-N 2 2 264.413 2.184 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924986421 629322797 /nfs/dbraw/zinc/32/27/97/629322797.db2.gz MAGPSAZAIFRCCX-ZDUSSCGKSA-N 2 2 260.385 2.168 20 30 CEEDLP C#CC[NH+]1CCC(Nc2cc(CC)[nH+]c(CC)n2)CC1 ZINC000895811403 630357977 /nfs/dbraw/zinc/35/79/77/630357977.db2.gz QLCDQBWVXNEUJU-UHFFFAOYSA-N 2 2 272.396 2.111 20 30 CEEDLP C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+]1CCCC1 ZINC000902756329 634811623 /nfs/dbraw/zinc/81/16/23/634811623.db2.gz XIALNPSMAVDPAB-KBPBESRZSA-N 2 2 272.396 2.336 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034137 632025820 /nfs/dbraw/zinc/02/58/20/632025820.db2.gz JAFMCMJUJQREAY-HNNXBMFYSA-N 2 2 293.455 2.407 20 30 CEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034137 632025827 /nfs/dbraw/zinc/02/58/27/632025827.db2.gz JAFMCMJUJQREAY-HNNXBMFYSA-N 2 2 293.455 2.407 20 30 CEEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000827566188 636355967 /nfs/dbraw/zinc/35/59/67/636355967.db2.gz SYQWNHZZGSLJLW-QGZVFWFLSA-N 2 2 299.418 2.068 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000848557540 642051794 /nfs/dbraw/zinc/05/17/94/642051794.db2.gz KKPAXUOVXNLHMH-UHFFFAOYSA-N 2 2 286.423 2.219 20 30 CEEDLP N#Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000921550188 642231126 /nfs/dbraw/zinc/23/11/26/642231126.db2.gz PXATYFQPZJYHOX-QWHCGFSZSA-N 2 2 261.394 2.336 20 30 CEEDLP N#Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000921550188 642231130 /nfs/dbraw/zinc/23/11/30/642231130.db2.gz PXATYFQPZJYHOX-QWHCGFSZSA-N 2 2 261.394 2.336 20 30 CEEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858127390 645069276 /nfs/dbraw/zinc/06/92/76/645069276.db2.gz DOOKGZXWEQDUDM-JTQLQIEISA-N 2 2 261.207 2.357 20 30 CEEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858127390 645069279 /nfs/dbraw/zinc/06/92/79/645069279.db2.gz DOOKGZXWEQDUDM-JTQLQIEISA-N 2 2 261.207 2.357 20 30 CEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000863544686 646753216 /nfs/dbraw/zinc/75/32/16/646753216.db2.gz BIMFEJSSUAQOOY-OFQRWUPVSA-N 2 2 272.392 2.490 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775574787 646967957 /nfs/dbraw/zinc/96/79/57/646967957.db2.gz RSNMTYIOFACGMH-RBUKOAKNSA-N 2 2 298.430 2.421 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@@H+]1C ZINC000865475311 647314229 /nfs/dbraw/zinc/31/42/29/647314229.db2.gz KMVDAIPSSHSJFT-CJNGLKHVSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC[N@H+]1C ZINC000865475311 647314234 /nfs/dbraw/zinc/31/42/34/647314234.db2.gz KMVDAIPSSHSJFT-CJNGLKHVSA-N 2 2 286.423 2.197 20 30 CEEDLP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866384166 647766594 /nfs/dbraw/zinc/76/65/94/647766594.db2.gz IFXSUXRTSPHUEX-BZPMIXESSA-N 2 2 273.380 2.255 20 30 CEEDLP C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000871787328 649185880 /nfs/dbraw/zinc/18/58/80/649185880.db2.gz VHHLRWQEMLKVHX-DTWKUNHWSA-N 2 2 258.753 2.258 20 30 CEEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135410 651389075 /nfs/dbraw/zinc/38/90/75/651389075.db2.gz VJRMJDZKHMNYLF-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1cccc(C#N)c1 ZINC000880135410 651389076 /nfs/dbraw/zinc/38/90/76/651389076.db2.gz VJRMJDZKHMNYLF-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000880135410 651389077 /nfs/dbraw/zinc/38/90/77/651389077.db2.gz VJRMJDZKHMNYLF-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCOc1cccc(C#N)c1 ZINC000880135410 651389078 /nfs/dbraw/zinc/38/90/78/651389078.db2.gz VJRMJDZKHMNYLF-ROUUACIJSA-N 2 2 299.418 2.496 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000883131304 652372750 /nfs/dbraw/zinc/37/27/50/652372750.db2.gz VKRSNBZARRZAGP-UHFFFAOYSA-N 2 2 290.382 2.412 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000883131304 652372752 /nfs/dbraw/zinc/37/27/52/652372752.db2.gz VKRSNBZARRZAGP-UHFFFAOYSA-N 2 2 290.382 2.412 20 30 CEEDLP C#CC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000883362731 652444883 /nfs/dbraw/zinc/44/48/83/652444883.db2.gz MCGPQDLJLMXEKB-UHFFFAOYSA-N 2 2 263.410 2.240 20 30 CEEDLP C=C(C)C[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883400325 652456829 /nfs/dbraw/zinc/45/68/29/652456829.db2.gz JNGUJNLKKWKOOB-GFCCVEGCSA-N 2 2 277.393 2.351 20 30 CEEDLP C=C(C)CC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266743737 802874856 /nfs/dbraw/zinc/87/48/56/802874856.db2.gz KWDRSNUUBVASKX-UHFFFAOYSA-N 2 2 286.379 2.191 20 30 CEEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267050221 803078472 /nfs/dbraw/zinc/07/84/72/803078472.db2.gz NTDUJTWSSUDRSS-INIZCTEOSA-N 2 2 299.418 2.082 20 30 CEEDLP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027884449 804318171 /nfs/dbraw/zinc/31/81/71/804318171.db2.gz ZYMVKJQCLXJKEK-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027884449 804318180 /nfs/dbraw/zinc/31/81/80/804318180.db2.gz ZYMVKJQCLXJKEK-OAHLLOKOSA-N 2 2 298.390 2.023 20 30 CEEDLP C=CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001268211418 804545126 /nfs/dbraw/zinc/54/51/26/804545126.db2.gz MKEGMHQYHWELMA-HNNXBMFYSA-N 2 2 286.379 2.093 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977770 805512709 /nfs/dbraw/zinc/51/27/09/805512709.db2.gz JCDJZISWBPVDOR-UONOGXRCSA-N 2 2 292.427 2.039 20 30 CEEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977770 805512712 /nfs/dbraw/zinc/51/27/12/805512712.db2.gz JCDJZISWBPVDOR-UONOGXRCSA-N 2 2 292.427 2.039 20 30 CEEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001120026706 815189828 /nfs/dbraw/zinc/18/98/28/815189828.db2.gz VHHOTCCAGGFPMU-LJQANCHMSA-N 2 2 298.430 2.271 20 30 CEEDLP C#CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050852 809490224 /nfs/dbraw/zinc/49/02/24/809490224.db2.gz ICAKSXNNOJFEJR-DLBZAZTESA-N 2 2 254.377 2.074 20 30 CEEDLP C#CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050852 809490229 /nfs/dbraw/zinc/49/02/29/809490229.db2.gz ICAKSXNNOJFEJR-DLBZAZTESA-N 2 2 254.377 2.074 20 30 CEEDLP C#CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050852 809490235 /nfs/dbraw/zinc/49/02/35/809490235.db2.gz ICAKSXNNOJFEJR-DLBZAZTESA-N 2 2 254.377 2.074 20 30 CEEDLP C#CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000702050852 809490240 /nfs/dbraw/zinc/49/02/40/809490240.db2.gz ICAKSXNNOJFEJR-DLBZAZTESA-N 2 2 254.377 2.074 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548243 813285634 /nfs/dbraw/zinc/28/56/34/813285634.db2.gz FSRDDLHMCOYEQP-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548243 813285641 /nfs/dbraw/zinc/28/56/41/813285641.db2.gz FSRDDLHMCOYEQP-KGLIPLIRSA-N 2 2 292.427 2.181 20 30 CEEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c(C)cc[nH+]c1C ZINC001171069204 813797713 /nfs/dbraw/zinc/79/77/13/813797713.db2.gz BWFBBOQHMALMIQ-AWEZNQCLSA-N 2 2 291.395 2.337 20 30 CEEDLP C=CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001091154720 814098700 /nfs/dbraw/zinc/09/87/00/814098700.db2.gz MNPKOHPIRJMICA-UHFFFAOYSA-N 2 2 287.407 2.291 20 30 CEEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H](F)C[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246576261 814121453 /nfs/dbraw/zinc/12/14/53/814121453.db2.gz FNBBCNXCELDBQL-NLXYCFSDSA-N 2 2 252.377 2.492 20 30 CEEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H](F)C[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001246576261 814121458 /nfs/dbraw/zinc/12/14/58/814121458.db2.gz FNBBCNXCELDBQL-NLXYCFSDSA-N 2 2 252.377 2.492 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Cl)c1 ZINC001206213910 815800440 /nfs/dbraw/zinc/80/04/40/815800440.db2.gz WOACVKZZBXRVHX-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Cl)c1 ZINC001206213910 815800449 /nfs/dbraw/zinc/80/04/49/815800449.db2.gz WOACVKZZBXRVHX-ZIAGYGMSSA-N 2 2 281.762 2.473 20 30 CEEDLP CC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000125229461 187175217 /nfs/dbraw/zinc/17/52/17/187175217.db2.gz SNYNHLXHFYFSLG-UHFFFAOYSA-N 2 2 297.406 2.122 20 30 CEEDLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000125229461 187175218 /nfs/dbraw/zinc/17/52/18/187175218.db2.gz SNYNHLXHFYFSLG-UHFFFAOYSA-N 2 2 297.406 2.122 20 30 CEEDLP N#Cc1ccccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000052441605 343560729 /nfs/dbraw/zinc/56/07/29/343560729.db2.gz MFNFCLZIZPHJAJ-UHFFFAOYSA-N 2 2 299.418 2.497 20 30 CEEDLP C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093090476 344214213 /nfs/dbraw/zinc/21/42/13/344214213.db2.gz VSCQOMNEQWHMHY-CQSZACIVSA-N 2 2 275.396 2.361 20 30 CEEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093090476 344214214 /nfs/dbraw/zinc/21/42/14/344214214.db2.gz VSCQOMNEQWHMHY-CQSZACIVSA-N 2 2 275.396 2.361 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470811 347045922 /nfs/dbraw/zinc/04/59/22/347045922.db2.gz IBIVKOYUBPUQKG-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470811 347045924 /nfs/dbraw/zinc/04/59/24/347045924.db2.gz IBIVKOYUBPUQKG-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470811 347045925 /nfs/dbraw/zinc/04/59/25/347045925.db2.gz IBIVKOYUBPUQKG-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602470811 347045927 /nfs/dbraw/zinc/04/59/27/347045927.db2.gz IBIVKOYUBPUQKG-BBRMVZONSA-N 2 2 272.396 2.258 20 30 CEEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000589504412 345085382 /nfs/dbraw/zinc/08/53/82/345085382.db2.gz UJJQGVMORILMEE-CHWSQXEVSA-N 2 2 295.308 2.228 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728149 345275864 /nfs/dbraw/zinc/27/58/64/345275864.db2.gz LAWBKPXDSYIXGW-HUUCEWRRSA-N 2 2 262.401 2.140 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728149 345275866 /nfs/dbraw/zinc/27/58/66/345275866.db2.gz LAWBKPXDSYIXGW-HUUCEWRRSA-N 2 2 262.401 2.140 20 30 CEEDLP N#CCC[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000591736721 345276609 /nfs/dbraw/zinc/27/66/09/345276609.db2.gz JOCPZSRSYHPVHC-UHFFFAOYSA-N 2 2 267.442 2.241 20 30 CEEDLP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693386 345522202 /nfs/dbraw/zinc/52/22/02/345522202.db2.gz WZVJUDQUBWXAHN-KSSFIOAISA-N 2 2 299.418 2.290 20 30 CEEDLP N#CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000595089233 345740651 /nfs/dbraw/zinc/74/06/51/345740651.db2.gz FZIIPXUZQBPFOK-MRXNPFEDSA-N 2 2 291.439 2.303 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595870164 345902344 /nfs/dbraw/zinc/90/23/44/345902344.db2.gz YFEDWIMMYBYPNJ-KBXCAEBGSA-N 2 2 299.418 2.150 20 30 CEEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595870164 345902346 /nfs/dbraw/zinc/90/23/46/345902346.db2.gz YFEDWIMMYBYPNJ-KBXCAEBGSA-N 2 2 299.418 2.150 20 30 CEEDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C#N ZINC000600709567 346675207 /nfs/dbraw/zinc/67/52/07/346675207.db2.gz LAVLDXQQHBJHGG-HZPDHXFCSA-N 2 2 255.365 2.180 20 30 CEEDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C#N ZINC000600709567 346675208 /nfs/dbraw/zinc/67/52/08/346675208.db2.gz LAVLDXQQHBJHGG-HZPDHXFCSA-N 2 2 255.365 2.180 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000619771195 349234580 /nfs/dbraw/zinc/23/45/80/349234580.db2.gz UZOHCTXUDBUMEM-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000619771195 349234583 /nfs/dbraw/zinc/23/45/83/349234583.db2.gz UZOHCTXUDBUMEM-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064099 198149608 /nfs/dbraw/zinc/14/96/08/198149608.db2.gz CXHWVSUDYLOMSD-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064099 198149610 /nfs/dbraw/zinc/14/96/10/198149610.db2.gz CXHWVSUDYLOMSD-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064099 198149612 /nfs/dbraw/zinc/14/96/12/198149612.db2.gz CXHWVSUDYLOMSD-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292064099 198149613 /nfs/dbraw/zinc/14/96/13/198149613.db2.gz CXHWVSUDYLOMSD-INIZCTEOSA-N 2 2 273.355 2.225 20 30 CEEDLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1C ZINC000571179932 299298555 /nfs/dbraw/zinc/29/85/55/299298555.db2.gz YQOPGGBRWYMMCR-UHFFFAOYSA-N 2 2 266.348 2.379 20 30 CEEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180045170 189234216 /nfs/dbraw/zinc/23/42/16/189234216.db2.gz SJLCRZKEMJZJAH-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180045170 189234217 /nfs/dbraw/zinc/23/42/17/189234217.db2.gz SJLCRZKEMJZJAH-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000180045170 189234218 /nfs/dbraw/zinc/23/42/18/189234218.db2.gz SJLCRZKEMJZJAH-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180045170 189234219 /nfs/dbraw/zinc/23/42/19/189234219.db2.gz SJLCRZKEMJZJAH-GFCCVEGCSA-N 2 2 263.410 2.393 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000580710407 366779869 /nfs/dbraw/zinc/77/98/69/366779869.db2.gz YDWQTAJNEIZFCU-CYBMUJFWSA-N 2 2 260.385 2.036 20 30 CEEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683544 364214136 /nfs/dbraw/zinc/21/41/36/364214136.db2.gz WTOGRHSOMYPZOK-AWEZNQCLSA-N 2 2 273.380 2.459 20 30 CEEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683544 364214141 /nfs/dbraw/zinc/21/41/41/364214141.db2.gz WTOGRHSOMYPZOK-AWEZNQCLSA-N 2 2 273.380 2.459 20 30 CEEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093770655 364225014 /nfs/dbraw/zinc/22/50/14/364225014.db2.gz IDVKHPTYJIRRBS-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093770655 364225019 /nfs/dbraw/zinc/22/50/19/364225019.db2.gz IDVKHPTYJIRRBS-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093770655 364225021 /nfs/dbraw/zinc/22/50/21/364225021.db2.gz IDVKHPTYJIRRBS-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093770655 364225025 /nfs/dbraw/zinc/22/50/25/364225025.db2.gz IDVKHPTYJIRRBS-LBPRGKRZSA-N 2 2 263.410 2.393 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158556835 366858598 /nfs/dbraw/zinc/85/85/98/366858598.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158556835 366858600 /nfs/dbraw/zinc/85/86/00/366858600.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158556835 366858602 /nfs/dbraw/zinc/85/86/02/366858602.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158556835 366858606 /nfs/dbraw/zinc/85/86/06/366858606.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 2 273.218 2.311 20 30 CEEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000118843369 365184096 /nfs/dbraw/zinc/18/40/96/365184096.db2.gz MTTWHMFKROXVRK-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000118843369 365184103 /nfs/dbraw/zinc/18/41/03/365184103.db2.gz MTTWHMFKROXVRK-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000118843369 365184108 /nfs/dbraw/zinc/18/41/08/365184108.db2.gz MTTWHMFKROXVRK-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843369 365184117 /nfs/dbraw/zinc/18/41/17/365184117.db2.gz MTTWHMFKROXVRK-AWEZNQCLSA-N 2 2 275.371 2.471 20 30 CEEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972666 366984936 /nfs/dbraw/zinc/98/49/36/366984936.db2.gz OBHJQLYZMKZFKE-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972666 366984939 /nfs/dbraw/zinc/98/49/39/366984939.db2.gz OBHJQLYZMKZFKE-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972666 366984942 /nfs/dbraw/zinc/98/49/42/366984942.db2.gz OBHJQLYZMKZFKE-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000582972666 366984945 /nfs/dbraw/zinc/98/49/45/366984945.db2.gz OBHJQLYZMKZFKE-CJNGLKHVSA-N 2 2 272.396 2.115 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000631838290 367579317 /nfs/dbraw/zinc/57/93/17/367579317.db2.gz LTYYYIUMGLBFPJ-IUODEOHRSA-N 2 2 289.423 2.000 20 30 CEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000631838290 367579319 /nfs/dbraw/zinc/57/93/19/367579319.db2.gz LTYYYIUMGLBFPJ-IUODEOHRSA-N 2 2 289.423 2.000 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000172845654 367828292 /nfs/dbraw/zinc/82/82/92/367828292.db2.gz QJMSGOBZVSXGQL-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000172845654 367828297 /nfs/dbraw/zinc/82/82/97/367828297.db2.gz QJMSGOBZVSXGQL-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845654 367828302 /nfs/dbraw/zinc/82/83/02/367828302.db2.gz QJMSGOBZVSXGQL-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1C ZINC000172845654 367828310 /nfs/dbraw/zinc/82/83/10/367828310.db2.gz QJMSGOBZVSXGQL-CZUORRHYSA-N 2 2 257.381 2.473 20 30 CEEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000185136012 368754851 /nfs/dbraw/zinc/75/48/51/368754851.db2.gz WZUROGKUYSSUAJ-UHFFFAOYSA-N 2 2 266.348 2.309 20 30 CEEDLP C=CC[NH+](CC=C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634637676 368790442 /nfs/dbraw/zinc/79/04/42/368790442.db2.gz ZALHZUBZPAPIKO-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C=CC[NH+](CC=C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637676 368790448 /nfs/dbraw/zinc/79/04/48/368790448.db2.gz ZALHZUBZPAPIKO-SFHVURJKSA-N 2 2 286.419 2.297 20 30 CEEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000181782071 296130940 /nfs/dbraw/zinc/13/09/40/296130940.db2.gz YLVKUDJMBHMPRA-LSDHHAIUSA-N 2 2 287.407 2.177 20 30 CEEDLP N#CC1(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348332038 369007425 /nfs/dbraw/zinc/00/74/25/369007425.db2.gz SXYFOCOWAPJKIQ-IRXDYDNUSA-N 2 2 281.403 2.354 20 30 CEEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415442 369711165 /nfs/dbraw/zinc/71/11/65/369711165.db2.gz LQVPOGBKTPJJKU-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415442 369711169 /nfs/dbraw/zinc/71/11/69/369711169.db2.gz LQVPOGBKTPJJKU-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415442 369711174 /nfs/dbraw/zinc/71/11/74/369711174.db2.gz LQVPOGBKTPJJKU-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191415442 369711178 /nfs/dbraw/zinc/71/11/78/369711178.db2.gz LQVPOGBKTPJJKU-CQSZACIVSA-N 2 2 274.412 2.060 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248064482 371158720 /nfs/dbraw/zinc/15/87/20/371158720.db2.gz MBPFFGVDAQJKFX-VXGBXAGGSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248064482 371158725 /nfs/dbraw/zinc/15/87/25/371158725.db2.gz MBPFFGVDAQJKFX-VXGBXAGGSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248064482 371158729 /nfs/dbraw/zinc/15/87/29/371158729.db2.gz MBPFFGVDAQJKFX-VXGBXAGGSA-N 2 2 273.218 2.311 20 30 CEEDLP C=C(Br)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248064482 371158733 /nfs/dbraw/zinc/15/87/33/371158733.db2.gz MBPFFGVDAQJKFX-VXGBXAGGSA-N 2 2 273.218 2.311 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)[N@H+](C)C1CC1 ZINC000359892684 371492049 /nfs/dbraw/zinc/49/20/49/371492049.db2.gz ALTIWGMINPWWBW-CMZRPVNOSA-N 2 2 291.439 2.299 20 30 CEEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)[N@@H+](C)C1CC1 ZINC000359892684 371492051 /nfs/dbraw/zinc/49/20/51/371492051.db2.gz ALTIWGMINPWWBW-CMZRPVNOSA-N 2 2 291.439 2.299 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546738 371455030 /nfs/dbraw/zinc/45/50/30/371455030.db2.gz KUYLOCNOJVIVAB-RRQGHBQHSA-N 2 2 285.391 2.072 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546738 371455035 /nfs/dbraw/zinc/45/50/35/371455035.db2.gz KUYLOCNOJVIVAB-RRQGHBQHSA-N 2 2 285.391 2.072 20 30 CEEDLP CCCCCCCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264077693 371963726 /nfs/dbraw/zinc/96/37/26/371963726.db2.gz HSTKRHFTKCPAOZ-UHFFFAOYSA-N 2 2 265.405 2.148 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000264101793 371969796 /nfs/dbraw/zinc/96/97/96/371969796.db2.gz OGZXRSXRKBVRSD-ZFWWWQNUSA-N 2 2 276.428 2.301 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000268922858 372289431 /nfs/dbraw/zinc/28/94/31/372289431.db2.gz XAAVITVMQBDRQL-NSHDSACASA-N 2 2 251.399 2.444 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000368427670 373238911 /nfs/dbraw/zinc/23/89/11/373238911.db2.gz ACYPQNPHOXKQOC-DOTOQJQBSA-N 2 2 274.408 2.442 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000368427670 373238918 /nfs/dbraw/zinc/23/89/18/373238918.db2.gz ACYPQNPHOXKQOC-DOTOQJQBSA-N 2 2 274.408 2.442 20 30 CEEDLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000272700208 373622138 /nfs/dbraw/zinc/62/21/38/373622138.db2.gz YMNLNHQUWLMRNR-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C#N ZINC000272700208 373622145 /nfs/dbraw/zinc/62/21/45/373622145.db2.gz YMNLNHQUWLMRNR-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000272700208 373622151 /nfs/dbraw/zinc/62/21/51/373622151.db2.gz YMNLNHQUWLMRNR-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000272700208 373622160 /nfs/dbraw/zinc/62/21/60/373622160.db2.gz YMNLNHQUWLMRNR-GOEBONIOSA-N 2 2 285.391 2.093 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692014 373616227 /nfs/dbraw/zinc/61/62/27/373616227.db2.gz XFPFRJOZQBLOMY-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692014 373616233 /nfs/dbraw/zinc/61/62/33/373616233.db2.gz XFPFRJOZQBLOMY-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692014 373616239 /nfs/dbraw/zinc/61/62/39/373616239.db2.gz XFPFRJOZQBLOMY-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@H]2C1 ZINC000272692014 373616247 /nfs/dbraw/zinc/61/62/47/373616247.db2.gz XFPFRJOZQBLOMY-CVEARBPZSA-N 2 2 255.365 2.084 20 30 CEEDLP C#CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000274112979 373814727 /nfs/dbraw/zinc/81/47/27/373814727.db2.gz FSQRSIADEOLVDR-MRXNPFEDSA-N 2 2 297.402 2.112 20 30 CEEDLP C#CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000274112979 373814735 /nfs/dbraw/zinc/81/47/35/373814735.db2.gz FSQRSIADEOLVDR-MRXNPFEDSA-N 2 2 297.402 2.112 20 30 CEEDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000377015887 374774056 /nfs/dbraw/zinc/77/40/56/374774056.db2.gz TYRQRIWLVQNSHF-AWEZNQCLSA-N 2 2 286.423 2.345 20 30 CEEDLP C[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000377015887 374774063 /nfs/dbraw/zinc/77/40/63/374774063.db2.gz TYRQRIWLVQNSHF-AWEZNQCLSA-N 2 2 286.423 2.345 20 30 CEEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909550 376733205 /nfs/dbraw/zinc/73/32/05/376733205.db2.gz ZDXMIVPXYIAJED-HNNXBMFYSA-N 2 2 287.407 2.110 20 30 CEEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909550 376733208 /nfs/dbraw/zinc/73/32/08/376733208.db2.gz ZDXMIVPXYIAJED-HNNXBMFYSA-N 2 2 287.407 2.110 20 30 CEEDLP C=CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000562542277 376927522 /nfs/dbraw/zinc/92/75/22/376927522.db2.gz KSHVCAKJVUTOQT-INIZCTEOSA-N 2 2 266.429 2.387 20 30 CEEDLP C=CCCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000562542277 376927525 /nfs/dbraw/zinc/92/75/25/376927525.db2.gz KSHVCAKJVUTOQT-INIZCTEOSA-N 2 2 266.429 2.387 20 30 CEEDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCC[NH2+]1 ZINC000423412671 377269850 /nfs/dbraw/zinc/26/98/50/377269850.db2.gz IMLJZSHMWTVBMY-MLGOLLRUSA-N 2 2 291.370 2.117 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000436314507 377824210 /nfs/dbraw/zinc/82/42/10/377824210.db2.gz YDWRQAPRTQMEFZ-XNISGKROSA-N 2 2 264.413 2.040 20 30 CEEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000436314507 377824217 /nfs/dbraw/zinc/82/42/17/377824217.db2.gz YDWRQAPRTQMEFZ-XNISGKROSA-N 2 2 264.413 2.040 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000295121388 378043523 /nfs/dbraw/zinc/04/35/23/378043523.db2.gz YRRJQVZYIZNIJR-HNNXBMFYSA-N 2 2 278.346 2.497 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000295121388 378043526 /nfs/dbraw/zinc/04/35/26/378043526.db2.gz YRRJQVZYIZNIJR-HNNXBMFYSA-N 2 2 278.346 2.497 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385628 378208423 /nfs/dbraw/zinc/20/84/23/378208423.db2.gz GMEPTNNHSRFNQD-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385628 378208425 /nfs/dbraw/zinc/20/84/25/378208425.db2.gz GMEPTNNHSRFNQD-KKUMJFAQSA-N 2 2 254.418 2.024 20 30 CEEDLP C#C[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165368 380284179 /nfs/dbraw/zinc/28/41/79/380284179.db2.gz KOJQYEJFASCGCX-AEFFLSMTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000491165368 380284186 /nfs/dbraw/zinc/28/41/86/380284186.db2.gz KOJQYEJFASCGCX-AEFFLSMTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000491165368 380284189 /nfs/dbraw/zinc/28/41/89/380284189.db2.gz KOJQYEJFASCGCX-AEFFLSMTSA-N 2 2 286.419 2.231 20 30 CEEDLP C#C[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000491165368 380284195 /nfs/dbraw/zinc/28/41/95/380284195.db2.gz KOJQYEJFASCGCX-AEFFLSMTSA-N 2 2 286.419 2.231 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000335301565 208140829 /nfs/dbraw/zinc/14/08/29/208140829.db2.gz PFHUWZYSYWYQOY-AWEZNQCLSA-N 2 2 266.348 2.237 20 30 CEEDLP Cc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1C#N ZINC000335301565 208140833 /nfs/dbraw/zinc/14/08/33/208140833.db2.gz PFHUWZYSYWYQOY-AWEZNQCLSA-N 2 2 266.348 2.237 20 30 CEEDLP C=CC[NH+]1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301801560 394465916 /nfs/dbraw/zinc/46/59/16/394465916.db2.gz CLEVINWWAAISSD-UHFFFAOYSA-N 2 2 283.379 2.274 20 30 CEEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000104154285 394717751 /nfs/dbraw/zinc/71/77/51/394717751.db2.gz NTHFQIPABGJGKI-CQSZACIVSA-N 2 2 292.427 2.463 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCC2)cc1 ZINC000269873915 394724210 /nfs/dbraw/zinc/72/42/10/394724210.db2.gz OGKJGEWNUKYCCP-UHFFFAOYSA-N 2 2 261.369 2.185 20 30 CEEDLP C=C(C)C[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363722042 394884324 /nfs/dbraw/zinc/88/43/24/394884324.db2.gz MQIFOIOPABPPNK-UHFFFAOYSA-N 2 2 297.406 2.142 20 30 CEEDLP C#CC[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284308194 394943334 /nfs/dbraw/zinc/94/33/34/394943334.db2.gz ZRUQWCUDGXKBEO-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284308194 394943338 /nfs/dbraw/zinc/94/33/38/394943338.db2.gz ZRUQWCUDGXKBEO-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284308194 394943340 /nfs/dbraw/zinc/94/33/40/394943340.db2.gz ZRUQWCUDGXKBEO-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP C#CC[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284308194 394943343 /nfs/dbraw/zinc/94/33/43/394943343.db2.gz ZRUQWCUDGXKBEO-GOSISDBHSA-N 2 2 286.419 2.233 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201054 394950686 /nfs/dbraw/zinc/95/06/86/394950686.db2.gz IDNRFNBJAJZDEK-WBVHZDCISA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201054 394950689 /nfs/dbraw/zinc/95/06/89/394950689.db2.gz IDNRFNBJAJZDEK-WBVHZDCISA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201054 394950691 /nfs/dbraw/zinc/95/06/91/394950691.db2.gz IDNRFNBJAJZDEK-WBVHZDCISA-N 2 2 288.439 2.148 20 30 CEEDLP CC#CC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000339201054 394950694 /nfs/dbraw/zinc/95/06/94/394950694.db2.gz IDNRFNBJAJZDEK-WBVHZDCISA-N 2 2 288.439 2.148 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367619899 394966691 /nfs/dbraw/zinc/96/66/91/394966691.db2.gz PSJFEKVBTDHPKL-GVDBMIGSSA-N 3 2 277.456 2.099 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367619899 394966694 /nfs/dbraw/zinc/96/66/94/394966694.db2.gz PSJFEKVBTDHPKL-GVDBMIGSSA-N 3 2 277.456 2.099 20 30 CEEDLP C=C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289784857 395086356 /nfs/dbraw/zinc/08/63/56/395086356.db2.gz MWUKOTJXHMLXJR-TZMCWYRMSA-N 2 2 257.337 2.070 20 30 CEEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000346344368 395096366 /nfs/dbraw/zinc/09/63/66/395096366.db2.gz YDQQINPZCVLXKK-GJZGRUSLSA-N 2 2 254.418 2.432 20 30 CEEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000346344368 395096370 /nfs/dbraw/zinc/09/63/70/395096370.db2.gz YDQQINPZCVLXKK-GJZGRUSLSA-N 2 2 254.418 2.432 20 30 CEEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000376167474 395111117 /nfs/dbraw/zinc/11/11/17/395111117.db2.gz RDPZECAKTDJVHD-UUAJXVIYSA-N 2 2 291.439 2.300 20 30 CEEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000376167474 395111121 /nfs/dbraw/zinc/11/11/21/395111121.db2.gz RDPZECAKTDJVHD-UUAJXVIYSA-N 2 2 291.439 2.300 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000651818924 401398862 /nfs/dbraw/zinc/39/88/62/401398862.db2.gz KLTLUGKIGIHUCN-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000651818924 401398864 /nfs/dbraw/zinc/39/88/64/401398864.db2.gz KLTLUGKIGIHUCN-PMPSAXMXSA-N 2 2 266.429 2.168 20 30 CEEDLP C=CCCn1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)nn1 ZINC000657363413 414887104 /nfs/dbraw/zinc/88/71/04/414887104.db2.gz LCBSVIOHQXFUCM-HNNXBMFYSA-N 2 2 293.459 2.310 20 30 CEEDLP C=CCCn1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)nn1 ZINC000657363414 414887621 /nfs/dbraw/zinc/88/76/21/414887621.db2.gz LCBSVIOHQXFUCM-OAHLLOKOSA-N 2 2 293.459 2.310 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657875672 415109895 /nfs/dbraw/zinc/10/98/95/415109895.db2.gz OACOXWGBDXGTMG-HNNXBMFYSA-N 2 2 274.412 2.348 20 30 CEEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762643 415444806 /nfs/dbraw/zinc/44/48/06/415444806.db2.gz GZGDEMZKPYXFBA-HIFRSBDPSA-N 2 2 252.402 2.184 20 30 CEEDLP C=CC[N@H+](CC1CCCCC1)C[C@H]1C[NH2+]CCO1 ZINC000662254232 415718661 /nfs/dbraw/zinc/71/86/61/415718661.db2.gz GAGRXNXSCMAKSX-OAHLLOKOSA-N 2 2 252.402 2.043 20 30 CEEDLP C=CC[N@@H+](CC1CCCCC1)C[C@H]1C[NH2+]CCO1 ZINC000662254232 415718664 /nfs/dbraw/zinc/71/86/64/415718664.db2.gz GAGRXNXSCMAKSX-OAHLLOKOSA-N 2 2 252.402 2.043 20 30 CEEDLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329992701 228009517 /nfs/dbraw/zinc/00/95/17/228009517.db2.gz KQVIMBYVQRHUDF-UHFFFAOYSA-N 2 2 290.411 2.184 20 30 CEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330227305 228072862 /nfs/dbraw/zinc/07/28/62/228072862.db2.gz PEJXWXRRYQZUIM-GXTWGEPZSA-N 2 2 288.395 2.344 20 30 CEEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@H+]1C1CC1 ZINC000330227305 228072864 /nfs/dbraw/zinc/07/28/64/228072864.db2.gz PEJXWXRRYQZUIM-GXTWGEPZSA-N 2 2 288.395 2.344 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221156471 260119289 /nfs/dbraw/zinc/11/92/89/260119289.db2.gz QDPQEKVXDVTQLU-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221156471 260119291 /nfs/dbraw/zinc/11/92/91/260119291.db2.gz QDPQEKVXDVTQLU-HNNXBMFYSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313289206 260279139 /nfs/dbraw/zinc/27/91/39/260279139.db2.gz DNJSXURSEUFDNX-UHFFFAOYSA-N 2 2 271.364 2.317 20 30 CEEDLP CC[NH+]=C(NCC(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160118620 261205241 /nfs/dbraw/zinc/20/52/41/261205241.db2.gz KTXCANKBVKXZBG-GJZGRUSLSA-N 2 2 291.443 2.388 20 30 CEEDLP CC[NH+]=C(NCC(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160118750 261205252 /nfs/dbraw/zinc/20/52/52/261205252.db2.gz KTXCANKBVKXZBG-CABCVRRESA-N 2 2 291.443 2.388 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCO1 ZINC000278295032 263046656 /nfs/dbraw/zinc/04/66/56/263046656.db2.gz CXJQDBNKCSXLPY-AYDFFVQHSA-N 2 2 288.395 2.312 20 30 CEEDLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000278503800 263048461 /nfs/dbraw/zinc/04/84/61/263048461.db2.gz APWGJYSMYMTRIC-LXTVHRRPSA-N 2 2 258.369 2.458 20 30 CEEDLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000278503800 263048462 /nfs/dbraw/zinc/04/84/62/263048462.db2.gz APWGJYSMYMTRIC-LXTVHRRPSA-N 2 2 258.369 2.458 20 30 CEEDLP C=CCCC[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000340924693 263312846 /nfs/dbraw/zinc/31/28/46/263312846.db2.gz ZJELFFZCPYERCO-CQSZACIVSA-N 2 2 254.418 2.120 20 30 CEEDLP C=CCCC[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000340924693 263312847 /nfs/dbraw/zinc/31/28/47/263312847.db2.gz ZJELFFZCPYERCO-CQSZACIVSA-N 2 2 254.418 2.120 20 30 CEEDLP N#Cc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCOCC2)cc1 ZINC000528779183 268211169 /nfs/dbraw/zinc/21/11/69/268211169.db2.gz RJOVHKQEAMOTQU-UHFFFAOYSA-N 2 2 296.374 2.050 20 30 CEEDLP CCC[N@H+](CC)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425265660 271149282 /nfs/dbraw/zinc/14/92/82/271149282.db2.gz FGVVUCHABXBJHX-ZDUSSCGKSA-N 2 2 260.385 2.216 20 30 CEEDLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425265660 271149283 /nfs/dbraw/zinc/14/92/83/271149283.db2.gz FGVVUCHABXBJHX-ZDUSSCGKSA-N 2 2 260.385 2.216 20 30 CEEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353390914 274233174 /nfs/dbraw/zinc/23/31/74/274233174.db2.gz VRTVCAPKKRWDJN-BLLLJJGKSA-N 2 2 266.348 2.420 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684201 278384809 /nfs/dbraw/zinc/38/48/09/278384809.db2.gz RZXBOYJGOLJLCW-DOMZBBRYSA-N 2 2 255.365 2.446 20 30 CEEDLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684201 278384810 /nfs/dbraw/zinc/38/48/10/278384810.db2.gz RZXBOYJGOLJLCW-DOMZBBRYSA-N 2 2 255.365 2.446 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000558750213 327118811 /nfs/dbraw/zinc/11/88/11/327118811.db2.gz CAJHLYUIKQVTFS-CQSZACIVSA-N 2 2 283.379 2.084 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000559216142 327147367 /nfs/dbraw/zinc/14/73/67/327147367.db2.gz UYSJKEDKTWSKQA-ZDUSSCGKSA-N 2 2 275.396 2.391 20 30 CEEDLP C=CCCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000565226753 327527839 /nfs/dbraw/zinc/52/78/39/327527839.db2.gz MTXUCDCPNOUSQT-HUUCEWRRSA-N 2 2 252.402 2.089 20 30 CEEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1(O)CCC1)C(C)C ZINC000569686115 327535315 /nfs/dbraw/zinc/53/53/15/327535315.db2.gz BFQUCHQNCMRQCZ-HNNXBMFYSA-N 2 2 266.429 2.190 20 30 CEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)O1 ZINC000378453926 329051257 /nfs/dbraw/zinc/05/12/57/329051257.db2.gz OQDKDVFBPJDOQU-LVQVYYBASA-N 2 2 288.395 2.103 20 30 CEEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)NC(C)(C)C ZINC000263256471 330050796 /nfs/dbraw/zinc/05/07/96/330050796.db2.gz QXTMUCFZLIMKJW-UHFFFAOYSA-N 2 2 287.411 2.230 20 30 CEEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000580445573 330139381 /nfs/dbraw/zinc/13/93/81/330139381.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CC ZINC000580445573 330139382 /nfs/dbraw/zinc/13/93/82/330139382.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000580445573 330139383 /nfs/dbraw/zinc/13/93/83/330139383.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)CC ZINC000580445573 330139384 /nfs/dbraw/zinc/13/93/84/330139384.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 2 276.424 2.377 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972649 330164721 /nfs/dbraw/zinc/16/47/21/330164721.db2.gz ACOWISKDQGRJCP-GDBMZVCRSA-N 3 2 265.445 2.134 20 30 CEEDLP C=CCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000423168854 330174164 /nfs/dbraw/zinc/17/41/64/330174164.db2.gz YWSXNMBFOFPDQT-CVEARBPZSA-N 2 2 278.440 2.480 20 30 CEEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000424291822 330335036 /nfs/dbraw/zinc/33/50/36/330335036.db2.gz FOWYZJNNXWBQEJ-HOCLYGCPSA-N 2 2 287.407 2.231 20 30 CEEDLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000577175584 335316000 /nfs/dbraw/zinc/31/60/00/335316000.db2.gz CMPNFXXQQFGXJG-ZDUSSCGKSA-N 2 2 297.362 2.345 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000157988353 526625598 /nfs/dbraw/zinc/62/55/98/526625598.db2.gz OZJVNOCTAJAZBP-HUUCEWRRSA-N 2 2 273.355 2.414 20 30 CEEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000157988353 526625605 /nfs/dbraw/zinc/62/56/05/526625605.db2.gz OZJVNOCTAJAZBP-HUUCEWRRSA-N 2 2 273.355 2.414 20 30 CEEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404083048 528987125 /nfs/dbraw/zinc/98/71/25/528987125.db2.gz SVRKXNWONYZOKL-UHFFFAOYSA-N 2 2 261.344 2.271 20 30 CEEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000729681803 574490839 /nfs/dbraw/zinc/49/08/39/574490839.db2.gz JPEXEZCNCUORMT-OAHLLOKOSA-N 2 2 273.380 2.163 20 30 CEEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000729681803 574490840 /nfs/dbraw/zinc/49/08/40/574490840.db2.gz JPEXEZCNCUORMT-OAHLLOKOSA-N 2 2 273.380 2.163 20 30 CEEDLP O=C1/C(=C\c2[nH]cc[nH+]2)CCC/C1=C/c1[nH]cc[nH+]1 ZINC000731156063 574590264 /nfs/dbraw/zinc/59/02/64/574590264.db2.gz ZJHKTEAMAVSKGF-WGEIWTTOSA-N 2 2 254.293 2.353 20 30 CEEDLP C=CCC[NH+]1CC(N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000950773600 613480555 /nfs/dbraw/zinc/48/05/55/613480555.db2.gz MGMRSHOQRQYIMD-UHFFFAOYSA-N 2 2 298.390 2.057 20 30 CEEDLP C#CCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000812236158 622768196 /nfs/dbraw/zinc/76/81/96/622768196.db2.gz IODZAFXZFGIZRY-UHFFFAOYSA-N 2 2 291.782 2.076 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)cn2)CC1 ZINC000892880679 627827618 /nfs/dbraw/zinc/82/76/18/627827618.db2.gz FSDHHNHGLCOLIS-UHFFFAOYSA-N 2 2 275.396 2.220 20 30 CEEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC000986427788 631239750 /nfs/dbraw/zinc/23/97/50/631239750.db2.gz UKCKUWQZEOXFGW-TZMCWYRMSA-N 2 2 298.390 2.332 20 30 CEEDLP CCC(=[NH+]NCC[NH+]1CCCCC1)c1cccc(N)c1 ZINC000814809093 632902353 /nfs/dbraw/zinc/90/23/53/632902353.db2.gz YCKGMRAKZBWKNG-UHFFFAOYSA-N 2 2 274.412 2.458 20 30 CEEDLP C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902949794 634909835 /nfs/dbraw/zinc/90/98/35/634909835.db2.gz CNNKMKPUYSFWFZ-ZFWWWQNUSA-N 2 2 271.364 2.460 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000903421560 635122894 /nfs/dbraw/zinc/12/28/94/635122894.db2.gz OMELLFMXQFDCRI-LLVKDONJSA-N 2 2 263.772 2.382 20 30 CEEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000903421560 635122898 /nfs/dbraw/zinc/12/28/98/635122898.db2.gz OMELLFMXQFDCRI-LLVKDONJSA-N 2 2 263.772 2.382 20 30 CEEDLP C[N@H+](CCc1cccc(C#N)c1)C[C@H]([NH3+])CC(F)F ZINC000903937988 635363923 /nfs/dbraw/zinc/36/39/23/635363923.db2.gz WSRDNLVOVQZQBE-CYBMUJFWSA-N 2 2 267.323 2.015 20 30 CEEDLP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]([NH3+])CC(F)F ZINC000903937988 635363927 /nfs/dbraw/zinc/36/39/27/635363927.db2.gz WSRDNLVOVQZQBE-CYBMUJFWSA-N 2 2 267.323 2.015 20 30 CEEDLP C=CCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1Cl ZINC000904450228 635642318 /nfs/dbraw/zinc/64/23/18/635642318.db2.gz PGMQMFWOTSWVNV-UHFFFAOYSA-N 2 2 266.772 2.486 20 30 CEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(C#N)CCC2)cc1 ZINC000842035853 639927482 /nfs/dbraw/zinc/92/74/82/639927482.db2.gz FJAOASCKLSQTCB-UHFFFAOYSA-N 2 2 286.379 2.079 20 30 CEEDLP C=CCNC(=[NH2+])NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000849023431 642236411 /nfs/dbraw/zinc/23/64/11/642236411.db2.gz SUKHKJQTAHIXDG-NEPJUHHUSA-N 2 2 264.373 2.009 20 30 CEEDLP C#CCCCOc1ccc[nH+]c1NCCC[N@@H+](C)CC#C ZINC000853647165 643845311 /nfs/dbraw/zinc/84/53/11/643845311.db2.gz RHEKZEHCHBIWOD-UHFFFAOYSA-N 2 2 285.391 2.241 20 30 CEEDLP C#CCCCOc1ccc[nH+]c1NCCC[N@H+](C)CC#C ZINC000853647165 643845314 /nfs/dbraw/zinc/84/53/14/643845314.db2.gz RHEKZEHCHBIWOD-UHFFFAOYSA-N 2 2 285.391 2.241 20 30 CEEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000838966931 644100251 /nfs/dbraw/zinc/10/02/51/644100251.db2.gz JEPVDPACLQBZJM-UHFFFAOYSA-N 2 2 273.355 2.414 20 30 CEEDLP C#CC[C@H](CCOC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000862547834 646494557 /nfs/dbraw/zinc/49/45/57/646494557.db2.gz QMMJSYKFAVNAON-OAHLLOKOSA-N 2 2 287.407 2.068 20 30 CEEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCO1 ZINC000775340828 646942991 /nfs/dbraw/zinc/94/29/91/646942991.db2.gz IKSCXKVODIBARR-GJZGRUSLSA-N 2 2 287.388 2.204 20 30 CEEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000775574229 646967929 /nfs/dbraw/zinc/96/79/29/646967929.db2.gz OKJYGDGHWUEYPS-GJZGRUSLSA-N 2 2 264.413 2.020 20 30 CEEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000779063742 647284886 /nfs/dbraw/zinc/28/48/86/647284886.db2.gz DJAHHOGDCBRAJA-UKRRQHHQSA-N 2 2 296.374 2.451 20 30 CEEDLP C[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Cn1cc[nH+]c1 ZINC000865434178 647291422 /nfs/dbraw/zinc/29/14/22/647291422.db2.gz ZGXRGRLILBCMAN-CQSZACIVSA-N 2 2 297.406 2.247 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229178 647683003 /nfs/dbraw/zinc/68/30/03/647683003.db2.gz OBDBBHFFWSWOQJ-STQMWFEESA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000866229178 647683015 /nfs/dbraw/zinc/68/30/15/647683015.db2.gz OBDBBHFFWSWOQJ-STQMWFEESA-N 2 2 285.391 2.399 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866263935 647703267 /nfs/dbraw/zinc/70/32/67/647703267.db2.gz VLCOHLDZIQFCEZ-STQMWFEESA-N 2 2 273.380 2.256 20 30 CEEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866263935 647703269 /nfs/dbraw/zinc/70/32/69/647703269.db2.gz VLCOHLDZIQFCEZ-STQMWFEESA-N 2 2 273.380 2.256 20 30 CEEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136389 651389772 /nfs/dbraw/zinc/38/97/72/651389772.db2.gz LAEDZNVXBIFKHP-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1(C#N)CCOCC1 ZINC000880136389 651389773 /nfs/dbraw/zinc/38/97/73/651389773.db2.gz LAEDZNVXBIFKHP-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000880136389 651389775 /nfs/dbraw/zinc/38/97/75/651389775.db2.gz LAEDZNVXBIFKHP-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000880136389 651389779 /nfs/dbraw/zinc/38/97/79/651389779.db2.gz LAEDZNVXBIFKHP-JKSUJKDBSA-N 2 2 291.439 2.255 20 30 CEEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883400326 652456736 /nfs/dbraw/zinc/45/67/36/652456736.db2.gz JNGUJNLKKWKOOB-LBPRGKRZSA-N 2 2 277.393 2.351 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210497104 802691923 /nfs/dbraw/zinc/69/19/23/802691923.db2.gz LBDGNQTZDXTNIK-CQSZACIVSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210497104 802691926 /nfs/dbraw/zinc/69/19/26/802691926.db2.gz LBDGNQTZDXTNIK-CQSZACIVSA-N 2 2 260.381 2.435 20 30 CEEDLP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001272701251 808199850 /nfs/dbraw/zinc/19/98/50/808199850.db2.gz UDMPZUVJTIIHSQ-CYBMUJFWSA-N 2 2 298.390 2.105 20 30 CEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052909 815192740 /nfs/dbraw/zinc/19/27/40/815192740.db2.gz AYFIEOCFNKJIRN-WBVHZDCISA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC#Cc1ccccc1 ZINC001120052909 815192743 /nfs/dbraw/zinc/19/27/43/815192743.db2.gz AYFIEOCFNKJIRN-WBVHZDCISA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC#Cc1ccccc1 ZINC001120052909 815192747 /nfs/dbraw/zinc/19/27/47/815192747.db2.gz AYFIEOCFNKJIRN-WBVHZDCISA-N 2 2 256.393 2.310 20 30 CEEDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC#Cc1ccccc1 ZINC001120052909 815192750 /nfs/dbraw/zinc/19/27/50/815192750.db2.gz AYFIEOCFNKJIRN-WBVHZDCISA-N 2 2 256.393 2.310 20 30 CEEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672537 810872687 /nfs/dbraw/zinc/87/26/87/810872687.db2.gz AEANKRJAXWVVCA-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672537 810872696 /nfs/dbraw/zinc/87/26/96/810872696.db2.gz AEANKRJAXWVVCA-CQSZACIVSA-N 2 2 298.390 2.285 20 30 CEEDLP C[C@H](CCCC#N)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001172493893 815453115 /nfs/dbraw/zinc/45/31/15/815453115.db2.gz DOJNZODMXQYUEG-CQSZACIVSA-N 2 2 261.413 2.486 20 30 CEEDLP C[C@H](CCCC#N)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001172493893 815453119 /nfs/dbraw/zinc/45/31/19/815453119.db2.gz DOJNZODMXQYUEG-CQSZACIVSA-N 2 2 261.413 2.486 20 30 CEEDLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173336034 815680666 /nfs/dbraw/zinc/68/06/66/815680666.db2.gz LDXOVUVKZUGDQY-UHFFFAOYSA-N 2 2 258.369 2.480 20 30 CEEDLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173336034 815680670 /nfs/dbraw/zinc/68/06/70/815680670.db2.gz LDXOVUVKZUGDQY-UHFFFAOYSA-N 2 2 258.369 2.480 20 30 CEEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872412 816300593 /nfs/dbraw/zinc/30/05/93/816300593.db2.gz HLKFWNSKDNPBBR-CQSZACIVSA-N 2 2 292.427 2.183 20 30 CEEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350644 816399265 /nfs/dbraw/zinc/39/92/65/816399265.db2.gz JJMQMXLOCCKPSJ-CYBMUJFWSA-N 2 2 292.427 2.101 20 30 CEEDLP N#CCCN1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000602020100 346962566 /nfs/dbraw/zinc/96/25/66/346962566.db2.gz HZDMWPPNQWCBCE-QZTJIDSGSA-N 2 2 298.434 2.011 20 30 CEEDLP CC1CC[NH+](CCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602502545 347059461 /nfs/dbraw/zinc/05/94/61/347059461.db2.gz LDKJWHJEENUNNW-UHFFFAOYSA-N 2 2 272.396 2.165 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000602570968 347082696 /nfs/dbraw/zinc/08/26/96/347082696.db2.gz VMPXSYBMFXKLFN-QLFBSQMISA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000602570968 347082698 /nfs/dbraw/zinc/08/26/98/347082698.db2.gz VMPXSYBMFXKLFN-QLFBSQMISA-N 2 2 291.439 2.300 20 30 CEEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054181501 362517838 /nfs/dbraw/zinc/51/78/38/362517838.db2.gz SFZYBFRECHKPQV-HNNXBMFYSA-N 2 2 271.408 2.443 20 30 CEEDLP N#Cc1cnccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000592060484 345317418 /nfs/dbraw/zinc/31/74/18/345317418.db2.gz PIKMKLNHTPUJHG-UHFFFAOYSA-N 2 2 284.407 2.261 20 30 CEEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584672 345651812 /nfs/dbraw/zinc/65/18/12/345651812.db2.gz ALODLVNVBSQNGA-WMLDXEAASA-N 2 2 299.418 2.294 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600607409 346660838 /nfs/dbraw/zinc/66/08/38/346660838.db2.gz YBPHTWSDTPKMSH-GDBMZVCRSA-N 2 2 274.412 2.427 20 30 CEEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600607409 346660841 /nfs/dbraw/zinc/66/08/41/346660841.db2.gz YBPHTWSDTPKMSH-GDBMZVCRSA-N 2 2 274.412 2.427 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000602716903 347167218 /nfs/dbraw/zinc/16/72/18/347167218.db2.gz UXUDLIXRGPREMH-HNNXBMFYSA-N 2 2 284.407 2.165 20 30 CEEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000602716903 347167219 /nfs/dbraw/zinc/16/72/19/347167219.db2.gz UXUDLIXRGPREMH-HNNXBMFYSA-N 2 2 284.407 2.165 20 30 CEEDLP N#Cc1csc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602849394 347224523 /nfs/dbraw/zinc/22/45/23/347224523.db2.gz QUDPRECVVDRZCT-UHFFFAOYSA-N 2 2 299.403 2.122 20 30 CEEDLP N#Cc1csc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602849394 347224525 /nfs/dbraw/zinc/22/45/25/347224525.db2.gz QUDPRECVVDRZCT-UHFFFAOYSA-N 2 2 299.403 2.122 20 30 CEEDLP N#Cc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533546 347792080 /nfs/dbraw/zinc/79/20/80/347792080.db2.gz MGURXRVIIOXGSK-UHFFFAOYSA-N 2 2 278.359 2.275 20 30 CEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)C#N ZINC000612584806 347904297 /nfs/dbraw/zinc/90/42/97/347904297.db2.gz AFWPWPCIBSHXAB-UHFFFAOYSA-N 2 2 269.352 2.215 20 30 CEEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000619719920 349228212 /nfs/dbraw/zinc/22/82/12/349228212.db2.gz NGRFEGLFMVIVOS-MRXNPFEDSA-N 2 2 294.439 2.302 20 30 CEEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1OC ZINC000629390868 351348004 /nfs/dbraw/zinc/34/80/04/351348004.db2.gz OIESCRJTOAQQOF-LSDHHAIUSA-N 2 2 290.407 2.490 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214156 198204232 /nfs/dbraw/zinc/20/42/32/198204232.db2.gz UIWLQWVWFJSJKU-SFHVURJKSA-N 2 2 294.402 2.339 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214156 198204234 /nfs/dbraw/zinc/20/42/34/198204234.db2.gz UIWLQWVWFJSJKU-SFHVURJKSA-N 2 2 294.402 2.339 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214156 198204236 /nfs/dbraw/zinc/20/42/36/198204236.db2.gz UIWLQWVWFJSJKU-SFHVURJKSA-N 2 2 294.402 2.339 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)C1 ZINC000292214156 198204238 /nfs/dbraw/zinc/20/42/38/198204238.db2.gz UIWLQWVWFJSJKU-SFHVURJKSA-N 2 2 294.402 2.339 20 30 CEEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000580710408 366779887 /nfs/dbraw/zinc/77/98/87/366779887.db2.gz YDWQTAJNEIZFCU-ZDUSSCGKSA-N 2 2 260.385 2.036 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CCC)c2)CC1 ZINC000116916858 365081007 /nfs/dbraw/zinc/08/10/07/365081007.db2.gz MKZRHUYVTDIHNP-UHFFFAOYSA-N 2 2 276.428 2.423 20 30 CEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000275431198 193033885 /nfs/dbraw/zinc/03/38/85/193033885.db2.gz FIGFIPKYZPDORD-WBVHZDCISA-N 2 2 296.374 2.302 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000343273474 367737010 /nfs/dbraw/zinc/73/70/10/367737010.db2.gz XNBCYUUWLIGWPT-BRWVUGGUSA-N 2 2 279.472 2.225 20 30 CEEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000343273474 367737016 /nfs/dbraw/zinc/73/70/16/367737016.db2.gz XNBCYUUWLIGWPT-BRWVUGGUSA-N 2 2 279.472 2.225 20 30 CEEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088902 370900612 /nfs/dbraw/zinc/90/06/12/370900612.db2.gz RFEPYAAEJAAMJU-CJNGLKHVSA-N 2 2 289.448 2.331 20 30 CEEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358088902 370900616 /nfs/dbraw/zinc/90/06/16/370900616.db2.gz RFEPYAAEJAAMJU-CJNGLKHVSA-N 2 2 289.448 2.331 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000185190055 368764110 /nfs/dbraw/zinc/76/41/10/368764110.db2.gz KRQJVKNOHYTWDR-UHFFFAOYSA-N 3 2 288.439 2.278 20 30 CEEDLP C=CCCC(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000635024203 369058854 /nfs/dbraw/zinc/05/88/54/369058854.db2.gz UFUFGBQOJSEQOI-KGLIPLIRSA-N 2 2 254.418 2.335 20 30 CEEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841434 369907945 /nfs/dbraw/zinc/90/79/45/369907945.db2.gz RGCPWHJMVSDFKF-CHWSQXEVSA-N 2 2 292.452 2.472 20 30 CEEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841881 369908072 /nfs/dbraw/zinc/90/80/72/369908072.db2.gz TUDDCGXWEXKXDW-GFCCVEGCSA-N 2 2 278.425 2.225 20 30 CEEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352841881 369908076 /nfs/dbraw/zinc/90/80/76/369908076.db2.gz TUDDCGXWEXKXDW-GFCCVEGCSA-N 2 2 278.425 2.225 20 30 CEEDLP CC1(C)CC([NH2+]Cc2nc(C#N)cs2)CC(C)(C)[NH2+]1 ZINC000352823127 369896761 /nfs/dbraw/zinc/89/67/61/369896761.db2.gz LRJKLXHMGINVHF-UHFFFAOYSA-N 2 2 278.425 2.414 20 30 CEEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353687031 370122083 /nfs/dbraw/zinc/12/20/83/370122083.db2.gz LKBNPFBJEHEWKI-WBVHZDCISA-N 2 2 272.392 2.435 20 30 CEEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353687031 370122087 /nfs/dbraw/zinc/12/20/87/370122087.db2.gz LKBNPFBJEHEWKI-WBVHZDCISA-N 2 2 272.392 2.435 20 30 CEEDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358589596 371129792 /nfs/dbraw/zinc/12/97/92/371129792.db2.gz MZLWJZZIPOQGJJ-ZDUSSCGKSA-N 2 2 293.386 2.316 20 30 CEEDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358589596 371129796 /nfs/dbraw/zinc/12/97/96/371129796.db2.gz MZLWJZZIPOQGJJ-ZDUSSCGKSA-N 2 2 293.386 2.316 20 30 CEEDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358589585 371130032 /nfs/dbraw/zinc/13/00/32/371130032.db2.gz MZLWJZZIPOQGJJ-CYBMUJFWSA-N 2 2 293.386 2.316 20 30 CEEDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358589585 371130033 /nfs/dbraw/zinc/13/00/33/371130033.db2.gz MZLWJZZIPOQGJJ-CYBMUJFWSA-N 2 2 293.386 2.316 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000248814755 371249102 /nfs/dbraw/zinc/24/91/02/371249102.db2.gz DIASQCCYPYGANH-MAUKXSAKSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000248814755 371249108 /nfs/dbraw/zinc/24/91/08/371249108.db2.gz DIASQCCYPYGANH-MAUKXSAKSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000248814755 371249112 /nfs/dbraw/zinc/24/91/12/371249112.db2.gz DIASQCCYPYGANH-MAUKXSAKSA-N 2 2 298.434 2.345 20 30 CEEDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000248814755 371249116 /nfs/dbraw/zinc/24/91/16/371249116.db2.gz DIASQCCYPYGANH-MAUKXSAKSA-N 2 2 298.434 2.345 20 30 CEEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000264101790 371970725 /nfs/dbraw/zinc/97/07/25/371970725.db2.gz OGZXRSXRKBVRSD-DZGCQCFKSA-N 2 2 276.428 2.301 20 30 CEEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)Cn1cc[nH+]c1 ZINC000269410046 372443379 /nfs/dbraw/zinc/44/33/79/372443379.db2.gz JATYBLZXJMRMHP-LBPRGKRZSA-N 2 2 272.327 2.320 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000371642886 373940304 /nfs/dbraw/zinc/94/03/04/373940304.db2.gz RPOHBXMHIJJDKO-NVXWUHKLSA-N 2 2 274.408 2.299 20 30 CEEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000371642886 373940309 /nfs/dbraw/zinc/94/03/09/373940309.db2.gz RPOHBXMHIJJDKO-NVXWUHKLSA-N 2 2 274.408 2.299 20 30 CEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277562 /nfs/dbraw/zinc/27/75/62/374277562.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[N@H+]1CC[C@@H]2CC[NH+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277566 /nfs/dbraw/zinc/27/75/66/374277566.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277574 /nfs/dbraw/zinc/27/75/74/374277574.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 2 299.418 2.353 20 30 CEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000373141147 374277580 /nfs/dbraw/zinc/27/75/80/374277580.db2.gz QMVIGOFMCAUWLV-AEFFLSMTSA-N 2 2 299.418 2.353 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414114988 375795890 /nfs/dbraw/zinc/79/58/90/375795890.db2.gz MIXONOQIRIVERO-AWEZNQCLSA-N 2 2 289.423 2.261 20 30 CEEDLP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423023382 376939283 /nfs/dbraw/zinc/93/92/83/376939283.db2.gz HGFZTFVDDCCDDL-IUODEOHRSA-N 2 2 255.365 2.277 20 30 CEEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150312 377226307 /nfs/dbraw/zinc/22/63/07/377226307.db2.gz NMMWMJLHFQYKGE-KRWDZBQOSA-N 2 2 272.367 2.205 20 30 CEEDLP C[N@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150312 377226314 /nfs/dbraw/zinc/22/63/14/377226314.db2.gz NMMWMJLHFQYKGE-KRWDZBQOSA-N 2 2 272.367 2.205 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150312 377226318 /nfs/dbraw/zinc/22/63/18/377226318.db2.gz NMMWMJLHFQYKGE-KRWDZBQOSA-N 2 2 272.367 2.205 20 30 CEEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000292150312 377226323 /nfs/dbraw/zinc/22/63/23/377226323.db2.gz NMMWMJLHFQYKGE-KRWDZBQOSA-N 2 2 272.367 2.205 20 30 CEEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292215943 377229410 /nfs/dbraw/zinc/22/94/10/377229410.db2.gz UONGEBVFNDGSTM-QGZVFWFLSA-N 2 2 254.377 2.066 20 30 CEEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC000292215943 377229418 /nfs/dbraw/zinc/22/94/18/377229418.db2.gz UONGEBVFNDGSTM-QGZVFWFLSA-N 2 2 254.377 2.066 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC000292215943 377229425 /nfs/dbraw/zinc/22/94/25/377229425.db2.gz UONGEBVFNDGSTM-QGZVFWFLSA-N 2 2 254.377 2.066 20 30 CEEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC000292215943 377229431 /nfs/dbraw/zinc/22/94/31/377229431.db2.gz UONGEBVFNDGSTM-QGZVFWFLSA-N 2 2 254.377 2.066 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000425530908 377367016 /nfs/dbraw/zinc/36/70/16/377367016.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000425530908 377367022 /nfs/dbraw/zinc/36/70/22/377367022.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000425530908 377367025 /nfs/dbraw/zinc/36/70/25/377367025.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 2 287.407 2.006 20 30 CEEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000425530908 377367030 /nfs/dbraw/zinc/36/70/30/377367030.db2.gz GFGCYEXUCPJCAT-DYVFJYSZSA-N 2 2 287.407 2.006 20 30 CEEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000191404131 130231692 /nfs/dbraw/zinc/23/16/92/130231692.db2.gz NXAIUFOQXRFPRZ-HNNXBMFYSA-N 2 2 286.423 2.205 20 30 CEEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000191404131 130231694 /nfs/dbraw/zinc/23/16/94/130231694.db2.gz NXAIUFOQXRFPRZ-HNNXBMFYSA-N 2 2 286.423 2.205 20 30 CEEDLP CC[NH+]=C(NCC1CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931073 394609147 /nfs/dbraw/zinc/60/91/47/394609147.db2.gz BJSIDCUMNNCLLB-DZGCQCFKSA-N 2 2 289.427 2.142 20 30 CEEDLP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970593 394610455 /nfs/dbraw/zinc/61/04/55/394610455.db2.gz MOWQRQFQLLPIRH-MGPQQGTHSA-N 2 2 289.427 2.140 20 30 CEEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccsc1 ZINC000262011782 394611029 /nfs/dbraw/zinc/61/10/29/394611029.db2.gz UINHPCKGELTDNK-NSHDSACASA-N 2 2 268.430 2.054 20 30 CEEDLP Cc1[nH+]c2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2n1C ZINC000330668140 394625720 /nfs/dbraw/zinc/62/57/20/394625720.db2.gz CATGXJGGDATDNL-JTQLQIEISA-N 2 2 274.368 2.136 20 30 CEEDLP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC000415058193 394868506 /nfs/dbraw/zinc/86/85/06/394868506.db2.gz UQWFUQNFKJFFJK-CQSZACIVSA-N 2 2 261.369 2.030 20 30 CEEDLP C#CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000366903736 394954256 /nfs/dbraw/zinc/95/42/56/394954256.db2.gz HSNDMWUGNMAFRP-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP C#CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000366903736 394954262 /nfs/dbraw/zinc/95/42/62/394954262.db2.gz HSNDMWUGNMAFRP-UHFFFAOYSA-N 2 2 271.408 2.044 20 30 CEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)n(C)n2)CC1 ZINC000282397026 394918810 /nfs/dbraw/zinc/91/88/10/394918810.db2.gz XSPBSXFUJSIAGE-CQSZACIVSA-N 2 2 276.428 2.420 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373209206 395057074 /nfs/dbraw/zinc/05/70/74/395057074.db2.gz VTHKPMDJINNZLP-KLHDSHLOSA-N 2 2 279.428 2.158 20 30 CEEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373209206 395057075 /nfs/dbraw/zinc/05/70/75/395057075.db2.gz VTHKPMDJINNZLP-KLHDSHLOSA-N 2 2 279.428 2.158 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289775833 395086536 /nfs/dbraw/zinc/08/65/36/395086536.db2.gz KPSCTFAVKAGWNO-SFHVURJKSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289775833 395086540 /nfs/dbraw/zinc/08/65/40/395086540.db2.gz KPSCTFAVKAGWNO-SFHVURJKSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289775833 395086544 /nfs/dbraw/zinc/08/65/44/395086544.db2.gz KPSCTFAVKAGWNO-SFHVURJKSA-N 2 2 288.435 2.172 20 30 CEEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289775833 395086549 /nfs/dbraw/zinc/08/65/49/395086549.db2.gz KPSCTFAVKAGWNO-SFHVURJKSA-N 2 2 288.435 2.172 20 30 CEEDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCC#N)CC2)c1 ZINC000411329153 395326931 /nfs/dbraw/zinc/32/69/31/395326931.db2.gz QMMYHPFXRWMTLH-AWEZNQCLSA-N 2 2 258.369 2.204 20 30 CEEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192021044 395369817 /nfs/dbraw/zinc/36/98/17/395369817.db2.gz YBJMXOOQZDYKPK-IBGZPJMESA-N 2 2 298.430 2.082 20 30 CEEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192021044 395369821 /nfs/dbraw/zinc/36/98/21/395369821.db2.gz YBJMXOOQZDYKPK-IBGZPJMESA-N 2 2 298.430 2.082 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC000192056037 395371493 /nfs/dbraw/zinc/37/14/93/395371493.db2.gz VXUXVENYBWKQRD-DOTOQJQBSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC000192056037 395371497 /nfs/dbraw/zinc/37/14/97/395371497.db2.gz VXUXVENYBWKQRD-DOTOQJQBSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056037 395371499 /nfs/dbraw/zinc/37/14/99/395371499.db2.gz VXUXVENYBWKQRD-DOTOQJQBSA-N 2 2 256.393 2.453 20 30 CEEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC000192056037 395371503 /nfs/dbraw/zinc/37/15/03/395371503.db2.gz VXUXVENYBWKQRD-DOTOQJQBSA-N 2 2 256.393 2.453 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)ccc1C#N ZINC000443990054 395409064 /nfs/dbraw/zinc/40/90/64/395409064.db2.gz QIOQJZVDHDJDIO-XJKSGUPXSA-N 2 2 257.381 2.439 20 30 CEEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1C#N ZINC000443990054 395409067 /nfs/dbraw/zinc/40/90/67/395409067.db2.gz QIOQJZVDHDJDIO-XJKSGUPXSA-N 2 2 257.381 2.439 20 30 CEEDLP C#CC(C)(C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491619507 400592725 /nfs/dbraw/zinc/59/27/25/400592725.db2.gz BHINZGPRNFWVSA-UHFFFAOYSA-N 2 2 286.419 2.362 20 30 CEEDLP C#CC(C)(C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491619507 400592739 /nfs/dbraw/zinc/59/27/39/400592739.db2.gz BHINZGPRNFWVSA-UHFFFAOYSA-N 2 2 286.419 2.362 20 30 CEEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666767015 419422917 /nfs/dbraw/zinc/42/29/17/419422917.db2.gz OTNUISGVKGWDRE-OAHLLOKOSA-N 2 2 260.381 2.483 20 30 CEEDLP Cc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1 ZINC000264075490 262865079 /nfs/dbraw/zinc/86/50/79/262865079.db2.gz FLEPMAWOLAOWIG-AWEZNQCLSA-N 2 2 276.428 2.301 20 30 CEEDLP C=CCOc1ccc(C[N@H+](C)CC[NH3+])cc1Cl ZINC000415105920 263273964 /nfs/dbraw/zinc/27/39/64/263273964.db2.gz ISSOWEIPWZAWAN-UHFFFAOYSA-N 2 2 254.761 2.295 20 30 CEEDLP C=CCOc1ccc(C[N@@H+](C)CC[NH3+])cc1Cl ZINC000415105920 263273966 /nfs/dbraw/zinc/27/39/66/263273966.db2.gz ISSOWEIPWZAWAN-UHFFFAOYSA-N 2 2 254.761 2.295 20 30 CEEDLP C=CCCC[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000340924692 263312793 /nfs/dbraw/zinc/31/27/93/263312793.db2.gz ZJELFFZCPYERCO-AWEZNQCLSA-N 2 2 254.418 2.120 20 30 CEEDLP C=CCCC[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000340924692 263312795 /nfs/dbraw/zinc/31/27/95/263312795.db2.gz ZJELFFZCPYERCO-AWEZNQCLSA-N 2 2 254.418 2.120 20 30 CEEDLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423422863 267222055 /nfs/dbraw/zinc/22/20/55/267222055.db2.gz ZILXJHNEISALAM-DLBZAZTESA-N 2 2 287.407 2.368 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000536066614 298193140 /nfs/dbraw/zinc/19/31/40/298193140.db2.gz GKOXDEREDRVPGU-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000536066614 298193144 /nfs/dbraw/zinc/19/31/44/298193144.db2.gz GKOXDEREDRVPGU-HNNXBMFYSA-N 2 2 296.374 2.160 20 30 CEEDLP C#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000378000633 329036807 /nfs/dbraw/zinc/03/68/07/329036807.db2.gz JQFMCLRZDRGNKK-RDJZCZTQSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000378000633 329036808 /nfs/dbraw/zinc/03/68/08/329036808.db2.gz JQFMCLRZDRGNKK-RDJZCZTQSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000378000633 329036809 /nfs/dbraw/zinc/03/68/09/329036809.db2.gz JQFMCLRZDRGNKK-RDJZCZTQSA-N 2 2 256.393 2.462 20 30 CEEDLP C#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000378000633 329036810 /nfs/dbraw/zinc/03/68/10/329036810.db2.gz JQFMCLRZDRGNKK-RDJZCZTQSA-N 2 2 256.393 2.462 20 30 CEEDLP C=CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422913682 330160471 /nfs/dbraw/zinc/16/04/71/330160471.db2.gz ZCRNOBSHASKFJX-UKRRQHHQSA-N 2 2 260.381 2.482 20 30 CEEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424125885 330259028 /nfs/dbraw/zinc/25/90/28/330259028.db2.gz AUEGGNQLHPVTMO-CQSZACIVSA-N 2 2 297.362 2.047 20 30 CEEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)[nH+]1 ZINC000424182623 330319911 /nfs/dbraw/zinc/31/99/11/330319911.db2.gz UKLCFUAQLMAWDY-CYBMUJFWSA-N 2 2 297.362 2.345 20 30 CEEDLP C[C@H]1C[NH+](CCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174253316 335151413 /nfs/dbraw/zinc/15/14/13/335151413.db2.gz RFATVDJLNBACPF-GJZGRUSLSA-N 2 2 281.444 2.405 20 30 CEEDLP CC[C@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000581318605 336048126 /nfs/dbraw/zinc/04/81/26/336048126.db2.gz BEIDBLUAPWBNHO-QGZVFWFLSA-N 2 2 287.407 2.301 20 30 CEEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000067500577 524487854 /nfs/dbraw/zinc/48/78/54/524487854.db2.gz WSAFQDVOWSDHRS-CYBMUJFWSA-N 2 2 254.337 2.181 20 30 CEEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000049235582 524792867 /nfs/dbraw/zinc/79/28/67/524792867.db2.gz DIYFYBGKYKIDQZ-LLVKDONJSA-N 2 2 258.300 2.072 20 30 CEEDLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329212526 528231028 /nfs/dbraw/zinc/23/10/28/528231028.db2.gz HVZWLMYWWUTHRY-KBPBESRZSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329212526 528231033 /nfs/dbraw/zinc/23/10/33/528231033.db2.gz HVZWLMYWWUTHRY-KBPBESRZSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329211979 528232391 /nfs/dbraw/zinc/23/23/91/528232391.db2.gz HNAZDARYAMYTMO-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329211979 528232394 /nfs/dbraw/zinc/23/23/94/528232394.db2.gz HNAZDARYAMYTMO-KGLIPLIRSA-N 2 2 290.411 2.276 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682255 574490589 /nfs/dbraw/zinc/49/05/89/574490589.db2.gz YMULGUVBMKHGFT-INIZCTEOSA-N 2 2 298.434 2.363 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682255 574490590 /nfs/dbraw/zinc/49/05/90/574490590.db2.gz YMULGUVBMKHGFT-INIZCTEOSA-N 2 2 298.434 2.363 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000729682256 574490766 /nfs/dbraw/zinc/49/07/66/574490766.db2.gz YMULGUVBMKHGFT-MRXNPFEDSA-N 2 2 298.434 2.363 20 30 CEEDLP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000729682256 574490767 /nfs/dbraw/zinc/49/07/67/574490767.db2.gz YMULGUVBMKHGFT-MRXNPFEDSA-N 2 2 298.434 2.363 20 30 CEEDLP C[NH+]=C(NCC1(C)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261976159 624046664 /nfs/dbraw/zinc/04/66/64/624046664.db2.gz NRWWGEQWTZTCTN-KBPBESRZSA-N 2 2 289.427 2.142 20 30 CEEDLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902735235 634801716 /nfs/dbraw/zinc/80/17/16/634801716.db2.gz AEWZQHOFYSSZAI-ZDUSSCGKSA-N 2 2 260.385 2.334 20 30 CEEDLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902735235 634801722 /nfs/dbraw/zinc/80/17/22/634801722.db2.gz AEWZQHOFYSSZAI-ZDUSSCGKSA-N 2 2 260.385 2.334 20 30 CEEDLP C#Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000809603454 632108222 /nfs/dbraw/zinc/10/82/22/632108222.db2.gz PNZSYBYPLQRGMB-HZPDHXFCSA-N 2 2 286.419 2.257 20 30 CEEDLP CCO[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+](C)C ZINC000926957406 632384498 /nfs/dbraw/zinc/38/44/98/632384498.db2.gz BFOGQMVTHWNUTE-NVXWUHKLSA-N 2 2 287.407 2.102 20 30 CEEDLP C#CC[N@H+](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000814930093 632932630 /nfs/dbraw/zinc/93/26/30/632932630.db2.gz ZHFGGHRQJGVLSQ-UHFFFAOYSA-N 2 2 272.396 2.031 20 30 CEEDLP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000814930093 632932632 /nfs/dbraw/zinc/93/26/32/632932632.db2.gz ZHFGGHRQJGVLSQ-UHFFFAOYSA-N 2 2 272.396 2.031 20 30 CEEDLP CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000817914861 633774763 /nfs/dbraw/zinc/77/47/63/633774763.db2.gz AHTCZJUHYYFPDV-CABCVRRESA-N 2 2 273.380 2.187 20 30 CEEDLP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817918694 633776487 /nfs/dbraw/zinc/77/64/87/633776487.db2.gz MWSUENVFMBLQHJ-CJNGLKHVSA-N 2 2 273.380 2.209 20 30 CEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903177418 634999992 /nfs/dbraw/zinc/99/99/92/634999992.db2.gz MRBNVURGNWLKIF-MRXNPFEDSA-N 2 2 257.381 2.077 20 30 CEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903177418 634999993 /nfs/dbraw/zinc/99/99/93/634999993.db2.gz MRBNVURGNWLKIF-MRXNPFEDSA-N 2 2 257.381 2.077 20 30 CEEDLP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903394583 635090196 /nfs/dbraw/zinc/09/01/96/635090196.db2.gz DYGLIMZSMYFBGX-KDOFPFPSSA-N 2 2 299.418 2.147 20 30 CEEDLP C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000914580401 640437957 /nfs/dbraw/zinc/43/79/57/640437957.db2.gz LGKCPJUZIMBGON-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000914580401 640437959 /nfs/dbraw/zinc/43/79/59/640437959.db2.gz LGKCPJUZIMBGON-KRWDZBQOSA-N 2 2 274.408 2.131 20 30 CEEDLP C=C(C)CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064312 642258741 /nfs/dbraw/zinc/25/87/41/642258741.db2.gz OKILOUYIRIEWOC-UHFFFAOYSA-N 2 2 269.352 2.062 20 30 CEEDLP Cc1c[nH+]ccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000863156814 646656519 /nfs/dbraw/zinc/65/65/19/646656519.db2.gz CNIWPNSKUQUJSN-UHFFFAOYSA-N 2 2 296.374 2.095 20 30 CEEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000863551018 646754521 /nfs/dbraw/zinc/75/45/21/646754521.db2.gz HPIMGXZZUSLLHN-MRXNPFEDSA-N 2 2 296.374 2.017 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)nn2C)CC1 ZINC000793529249 648770872 /nfs/dbraw/zinc/77/08/72/648770872.db2.gz WADTXBHZZTZNFN-CYBMUJFWSA-N 2 2 262.401 2.030 20 30 CEEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCCOC2)CC1 ZINC000872033766 649247249 /nfs/dbraw/zinc/24/72/49/649247249.db2.gz JEPQFNTZWIAXBM-GOEBONIOSA-N 2 2 266.429 2.432 20 30 CEEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1c1cc[nH+]cc1 ZINC000880259352 651411770 /nfs/dbraw/zinc/41/17/70/651411770.db2.gz QOANLTHUQNRLEX-ZDUSSCGKSA-N 2 2 282.347 2.257 20 30 CEEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1c1cc[nH+]cc1 ZINC000880259352 651411771 /nfs/dbraw/zinc/41/17/71/651411771.db2.gz QOANLTHUQNRLEX-ZDUSSCGKSA-N 2 2 282.347 2.257 20 30 CEEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000882987763 652307347 /nfs/dbraw/zinc/30/73/47/652307347.db2.gz OJMZIIFTYUUATQ-UHFFFAOYSA-N 2 2 286.419 2.499 20 30 CEEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000883217216 652402903 /nfs/dbraw/zinc/40/29/03/652402903.db2.gz DPZYXQYNINKWPH-SOUVJXGZSA-N 2 2 275.396 2.301 20 30 CEEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000883217213 652403119 /nfs/dbraw/zinc/40/31/19/652403119.db2.gz DPZYXQYNINKWPH-ILXRZTDVSA-N 2 2 275.396 2.301 20 30 CEEDLP