smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233741 1084634674 /nfs/dbraw/zinc/63/46/74/1084634674.db2.gz QJZFRMYOQNLWDY-GOTSBHOMSA-N 2 1 368.565 4.250 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400371 /nfs/dbraw/zinc/40/03/71/1085400371.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400377 /nfs/dbraw/zinc/40/03/77/1085400377.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400382 /nfs/dbraw/zinc/40/03/82/1085400382.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693436 1085400386 /nfs/dbraw/zinc/40/03/86/1085400386.db2.gz ZTMZUNWGIRAMLZ-HKUYNNGSSA-N 2 1 353.535 4.443 20 30 FIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236666250 1089978498 /nfs/dbraw/zinc/97/84/98/1089978498.db2.gz AIFPHDIIJDAPKM-GOSISDBHSA-N 2 1 351.494 4.107 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000236686678 1090553756 /nfs/dbraw/zinc/55/37/56/1090553756.db2.gz GLBPBNAREURNRY-CWAQXLGLSA-N 2 1 374.528 4.374 20 30 FIEDMP C[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000329499892 1094937615 /nfs/dbraw/zinc/93/76/15/1094937615.db2.gz YETWBZPBKIHDKY-GOSISDBHSA-N 2 1 372.557 4.324 20 30 FIEDMP C[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000329499892 1094937621 /nfs/dbraw/zinc/93/76/21/1094937621.db2.gz YETWBZPBKIHDKY-GOSISDBHSA-N 2 1 372.557 4.324 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000421869435 1095980687 /nfs/dbraw/zinc/98/06/87/1095980687.db2.gz DTATXJXFZPIOLK-HBMCJLEFSA-N 2 1 351.519 4.153 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000440831710 1108940656 /nfs/dbraw/zinc/94/06/56/1108940656.db2.gz NLTUJDZXGKWNJJ-GOSISDBHSA-N 2 1 363.505 4.231 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1Cl ZINC000592366553 1115279582 /nfs/dbraw/zinc/27/95/82/1115279582.db2.gz AUMKHPZKBIXLTR-FQEVSTJZSA-N 2 1 365.908 4.498 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1Cl ZINC000592366553 1115279584 /nfs/dbraw/zinc/27/95/84/1115279584.db2.gz AUMKHPZKBIXLTR-FQEVSTJZSA-N 2 1 365.908 4.498 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596093708 1115574538 /nfs/dbraw/zinc/57/45/38/1115574538.db2.gz DYZDFVAUTMQTOI-RDABAPPSSA-N 2 1 351.538 4.102 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1C#N ZINC000174270618 1116125380 /nfs/dbraw/zinc/12/53/80/1116125380.db2.gz LXSULPDZNXMSIW-GOSISDBHSA-N 2 1 363.505 4.231 20 30 FIEDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000154329127 1122241577 /nfs/dbraw/zinc/24/15/77/1122241577.db2.gz ZZXNNPIGTOPHOY-KRWDZBQOSA-N 2 1 351.469 4.055 20 30 FIEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000135264249 1123731065 /nfs/dbraw/zinc/73/10/65/1123731065.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135264249 1123731071 /nfs/dbraw/zinc/73/10/71/1123731071.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 2 1 361.533 4.442 20 30 FIEDMP COc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)ccc1C#N ZINC000569892460 568433962 /nfs/dbraw/zinc/43/39/62/568433962.db2.gz NLUGRMINHSDHOI-UHFFFAOYSA-N 2 1 363.505 4.100 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619755085 1125680763 /nfs/dbraw/zinc/68/07/63/1125680763.db2.gz SQSIGQZOWQFTFN-OXQOHEQNSA-N 2 1 353.897 4.212 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755368 1125680780 /nfs/dbraw/zinc/68/07/80/1125680780.db2.gz FZNPDCBFSRJXJP-IERDGZPVSA-N 2 1 353.897 4.212 20 30 FIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755367 1125680915 /nfs/dbraw/zinc/68/09/15/1125680915.db2.gz FZNPDCBFSRJXJP-HRAATJIYSA-N 2 1 353.897 4.212 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619755083 1125681093 /nfs/dbraw/zinc/68/10/93/1125681093.db2.gz SQSIGQZOWQFTFN-JXFKEZNVSA-N 2 1 353.897 4.212 20 30 FIEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809087 1083695744 /nfs/dbraw/zinc/69/57/44/1083695744.db2.gz FNFMJXVTSFOOPJ-FPOVZHCZSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809087 1083695749 /nfs/dbraw/zinc/69/57/49/1083695749.db2.gz FNFMJXVTSFOOPJ-FPOVZHCZSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000535809087 1083695754 /nfs/dbraw/zinc/69/57/54/1083695754.db2.gz FNFMJXVTSFOOPJ-FPOVZHCZSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000535809087 1083695757 /nfs/dbraw/zinc/69/57/57/1083695757.db2.gz FNFMJXVTSFOOPJ-FPOVZHCZSA-N 2 1 370.537 4.099 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000119806097 1085018564 /nfs/dbraw/zinc/01/85/64/1085018564.db2.gz ITSKOXCHJNZBQR-SJORKVTESA-N 2 1 360.461 4.322 20 30 FIEDMP C=CCOc1c(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000628147264 1085637951 /nfs/dbraw/zinc/63/79/51/1085637951.db2.gz MZTXXIJSQTXXSX-OAHLLOKOSA-N 2 1 361.873 4.016 20 30 FIEDMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccc(C#N)cc1 ZINC000365735596 1089946279 /nfs/dbraw/zinc/94/62/79/1089946279.db2.gz LPKHAXDSDZWNMD-NRFANRHFSA-N 2 1 366.509 4.116 20 30 FIEDMP C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512288147 1092015979 /nfs/dbraw/zinc/01/59/79/1092015979.db2.gz MHQWMUDMFHHUMJ-FUHIMQAGSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512288147 1092015990 /nfs/dbraw/zinc/01/59/90/1092015990.db2.gz MHQWMUDMFHHUMJ-FUHIMQAGSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512288147 1092015999 /nfs/dbraw/zinc/01/59/99/1092015999.db2.gz MHQWMUDMFHHUMJ-FUHIMQAGSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635345 1093051017 /nfs/dbraw/zinc/05/10/17/1093051017.db2.gz GUHXSIKGRLDOQX-JLHGSKIFSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635345 1093051025 /nfs/dbraw/zinc/05/10/25/1093051025.db2.gz GUHXSIKGRLDOQX-JLHGSKIFSA-N 2 1 351.469 4.259 20 30 FIEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000246840441 1093094253 /nfs/dbraw/zinc/09/42/53/1093094253.db2.gz BQXLDSCKVBPLLP-QFBILLFUSA-N 2 1 356.539 4.175 20 30 FIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437145090 1099655179 /nfs/dbraw/zinc/65/51/79/1099655179.db2.gz TURGEYCVJCFBPK-UHFFFAOYSA-N 2 1 365.468 4.104 20 30 FIEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013854 1100018028 /nfs/dbraw/zinc/01/80/28/1100018028.db2.gz UKVJXCHJUHEGHO-NQIIRXRSSA-N 2 1 354.494 4.297 20 30 FIEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000536832724 1100343099 /nfs/dbraw/zinc/34/30/99/1100343099.db2.gz KWSDSYYXPMGDBX-IBGZPJMESA-N 2 1 370.459 4.413 20 30 FIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181762446 1101599426 /nfs/dbraw/zinc/59/94/26/1101599426.db2.gz HHBUFQTVFTXFPL-RBUKOAKNSA-N 2 1 363.505 4.465 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000507612490 1103547671 /nfs/dbraw/zinc/54/76/71/1103547671.db2.gz CXGDZRFBDBNNID-KOENEWCDSA-N 2 1 351.538 4.245 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000507612490 1103547688 /nfs/dbraw/zinc/54/76/88/1103547688.db2.gz CXGDZRFBDBNNID-KOENEWCDSA-N 2 1 351.538 4.245 20 30 FIEDMP Cc1cccc(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)[nH+]1 ZINC000507644231 1103580612 /nfs/dbraw/zinc/58/06/12/1103580612.db2.gz KXOSEYUKVANNQC-UHFFFAOYSA-N 2 1 374.532 4.353 20 30 FIEDMP CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020581 1108090810 /nfs/dbraw/zinc/09/08/10/1108090810.db2.gz PPMVKPLAACXVEN-UNMCSNQZSA-N 2 1 364.537 4.053 20 30 FIEDMP CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020581 1108090825 /nfs/dbraw/zinc/09/08/25/1108090825.db2.gz PPMVKPLAACXVEN-UNMCSNQZSA-N 2 1 364.537 4.053 20 30 FIEDMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000453168284 1108241185 /nfs/dbraw/zinc/24/11/85/1108241185.db2.gz DVJBKJFUGBRKHT-IBGZPJMESA-N 2 1 359.517 4.233 20 30 FIEDMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000555417774 1112832475 /nfs/dbraw/zinc/83/24/75/1112832475.db2.gz LIDQEOLIHCYTJP-CIAFKFPVSA-N 2 1 356.558 4.185 20 30 FIEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311954040 1119396149 /nfs/dbraw/zinc/39/61/49/1119396149.db2.gz MDDWEJDNYWHUEF-UGKGYDQZSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311954034 1119396374 /nfs/dbraw/zinc/39/63/74/1119396374.db2.gz MDDWEJDNYWHUEF-DENIHFKCSA-N 2 1 350.506 4.252 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000236691669 1123549522 /nfs/dbraw/zinc/54/95/22/1123549522.db2.gz HBQRYJGPJIBRIK-UHFFFAOYSA-N 2 1 350.506 4.396 20 30 FIEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551201 1124118267 /nfs/dbraw/zinc/11/82/67/1124118267.db2.gz AYARJWAGTFGRLZ-IRLDBZIGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551201 1124118268 /nfs/dbraw/zinc/11/82/68/1124118268.db2.gz AYARJWAGTFGRLZ-IRLDBZIGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551201 1124118270 /nfs/dbraw/zinc/11/82/70/1124118270.db2.gz AYARJWAGTFGRLZ-IRLDBZIGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551201 1124118272 /nfs/dbraw/zinc/11/82/72/1124118272.db2.gz AYARJWAGTFGRLZ-IRLDBZIGSA-N 2 1 369.553 4.456 20 30 FIEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000237820688 1124118286 /nfs/dbraw/zinc/11/82/86/1124118286.db2.gz IVENACFKRKNFHK-UHFFFAOYSA-N 2 1 355.526 4.113 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619755084 1125681226 /nfs/dbraw/zinc/68/12/26/1125681226.db2.gz SQSIGQZOWQFTFN-OXJNMPFZSA-N 2 1 353.897 4.212 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755369 1125681294 /nfs/dbraw/zinc/68/12/94/1125681294.db2.gz FZNPDCBFSRJXJP-IIBYNOLFSA-N 2 1 353.897 4.212 20 30 FIEDMP N#Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1F ZINC000380734951 1084161079 /nfs/dbraw/zinc/16/10/79/1084161079.db2.gz LFQGODDSNCZHNI-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000582694889 1085395270 /nfs/dbraw/zinc/39/52/70/1085395270.db2.gz NFTVNCGYUCHLIB-FOWTUZBSSA-N 2 1 350.453 4.321 20 30 FIEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201684 1087217347 /nfs/dbraw/zinc/21/73/47/1087217347.db2.gz GHJDPTDNOWERLR-INIZCTEOSA-N 2 1 353.432 4.035 20 30 FIEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201684 1087217348 /nfs/dbraw/zinc/21/73/48/1087217348.db2.gz GHJDPTDNOWERLR-INIZCTEOSA-N 2 1 353.432 4.035 20 30 FIEDMP C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288142 1092015162 /nfs/dbraw/zinc/01/51/62/1092015162.db2.gz MHQWMUDMFHHUMJ-ABSDTBQOSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288142 1092015173 /nfs/dbraw/zinc/01/51/73/1092015173.db2.gz MHQWMUDMFHHUMJ-ABSDTBQOSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288142 1092015184 /nfs/dbraw/zinc/01/51/84/1092015184.db2.gz MHQWMUDMFHHUMJ-ABSDTBQOSA-N 2 1 351.469 4.259 20 30 FIEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000178583705 1092095743 /nfs/dbraw/zinc/09/57/43/1092095743.db2.gz BQXLDSCKVBPLLP-APWZRJJASA-N 2 1 356.539 4.175 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000442864129 1092808854 /nfs/dbraw/zinc/80/88/54/1092808854.db2.gz BUEILFAPDGVHGA-DXEGLPQDSA-N 2 1 351.538 4.207 20 30 FIEDMP C=CCOc1ccccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855712 1092985026 /nfs/dbraw/zinc/98/50/26/1092985026.db2.gz BOISHJDPQYXWMH-DENIHFKCSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855712 1092985029 /nfs/dbraw/zinc/98/50/29/1092985029.db2.gz BOISHJDPQYXWMH-DENIHFKCSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855712 1092985036 /nfs/dbraw/zinc/98/50/36/1092985036.db2.gz BOISHJDPQYXWMH-DENIHFKCSA-N 2 1 350.506 4.252 20 30 FIEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000513499196 1094173148 /nfs/dbraw/zinc/17/31/48/1094173148.db2.gz DWXHYZNJOJIAIC-FXAWDEMLSA-N 2 1 351.469 4.088 20 30 FIEDMP C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000329699646 1095150891 /nfs/dbraw/zinc/15/08/91/1095150891.db2.gz GFNUZWMEGQNVLK-LPHOPBHVSA-N 2 1 370.541 4.100 20 30 FIEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533311667 1098947821 /nfs/dbraw/zinc/94/78/21/1098947821.db2.gz VVDRECQVSJTMGD-KRWDZBQOSA-N 2 1 351.469 4.219 20 30 FIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533311667 1098947822 /nfs/dbraw/zinc/94/78/22/1098947822.db2.gz VVDRECQVSJTMGD-KRWDZBQOSA-N 2 1 351.469 4.219 20 30 FIEDMP C=CC[N@@H+](Cc1cccs1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506021022 1099787407 /nfs/dbraw/zinc/78/74/07/1099787407.db2.gz GNWVAWNJTSPFRY-UHFFFAOYSA-N 2 1 369.578 4.467 20 30 FIEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000517442494 1100383576 /nfs/dbraw/zinc/38/35/76/1100383576.db2.gz WFUUVVJZIJNQQT-UHFFFAOYSA-N 2 1 361.411 4.319 20 30 FIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181762428 1101599377 /nfs/dbraw/zinc/59/93/77/1101599377.db2.gz HHBUFQTVFTXFPL-MOPGFXCFSA-N 2 1 363.505 4.465 20 30 FIEDMP Cc1cccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000303885295 1107782734 /nfs/dbraw/zinc/78/27/34/1107782734.db2.gz JQVVFAXLIYUZOE-GOSISDBHSA-N 2 1 350.510 4.154 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453209385 1108280170 /nfs/dbraw/zinc/28/01/70/1108280170.db2.gz IEVATKAVPZCQGQ-XJDRTWLVSA-N 2 1 351.538 4.349 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000440830998 1108939908 /nfs/dbraw/zinc/93/99/08/1108939908.db2.gz LNSKVZFFDFLPAK-GOSISDBHSA-N 2 1 363.505 4.089 20 30 FIEDMP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000590649140 1114959008 /nfs/dbraw/zinc/95/90/08/1114959008.db2.gz YXPBVIDTOFDORQ-UDFFUHSHSA-N 2 1 351.538 4.349 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594919336 1115489964 /nfs/dbraw/zinc/48/99/64/1115489964.db2.gz XVKJQBJKQNHTHQ-UHFFFAOYSA-N 2 1 360.436 4.165 20 30 FIEDMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000599611338 1115831635 /nfs/dbraw/zinc/83/16/35/1115831635.db2.gz ZDVJFASVMQWFQR-LYSZKAAZSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000599611338 1115831636 /nfs/dbraw/zinc/83/16/36/1115831636.db2.gz ZDVJFASVMQWFQR-LYSZKAAZSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000599611338 1115831637 /nfs/dbraw/zinc/83/16/37/1115831637.db2.gz ZDVJFASVMQWFQR-LYSZKAAZSA-N 2 1 356.558 4.041 20 30 FIEDMP C=C(C)COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183102557 1119566017 /nfs/dbraw/zinc/56/60/17/1119566017.db2.gz CKLCCKDTBSEIFG-QUCCMNQESA-N 2 1 372.553 4.393 20 30 FIEDMP CN(c1ccccc1C=[NH+]Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000915933259 1121354120 /nfs/dbraw/zinc/35/41/20/1121354120.db2.gz PNNUMWLZBSMTAG-UHFFFAOYSA-N 2 1 356.901 4.316 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131486913 1121594297 /nfs/dbraw/zinc/59/42/97/1121594297.db2.gz SKCGZWHCDZQMCM-CYBMUJFWSA-N 2 1 355.295 4.279 20 30 FIEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000404093852 1124421836 /nfs/dbraw/zinc/42/18/36/1124421836.db2.gz VJQJKBRDPBUSAW-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311592404 1125193864 /nfs/dbraw/zinc/19/38/64/1125193864.db2.gz GUBKSSNVHNXUDW-QFIPXVFZSA-N 2 1 350.506 4.253 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000619056264 1125440231 /nfs/dbraw/zinc/44/02/31/1125440231.db2.gz AIJRFHYFNWRZJK-UHFFFAOYSA-N 2 1 362.521 4.400 20 30 FIEDMP CC[N@@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000602477207 567984431 /nfs/dbraw/zinc/98/44/31/567984431.db2.gz ZEEPMWYFRCKWQM-KRWDZBQOSA-N 2 1 357.546 4.139 20 30 FIEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000602515984 567986664 /nfs/dbraw/zinc/98/66/64/567986664.db2.gz UUPYCGPNERJIQR-VQTJNVASSA-N 2 1 369.553 4.107 20 30 FIEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000481662320 568082093 /nfs/dbraw/zinc/08/20/93/568082093.db2.gz CWLNFGCSMIGXAB-TZYHBYERSA-N 2 1 369.553 4.052 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685946 1081531419 /nfs/dbraw/zinc/53/14/19/1081531419.db2.gz IVTUNDPWEKVSDS-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200474 1083546618 /nfs/dbraw/zinc/54/66/18/1083546618.db2.gz RFFBDLNTZKSWKA-CEWLAPEOSA-N 2 1 351.519 4.010 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000119805715 1085018390 /nfs/dbraw/zinc/01/83/90/1085018390.db2.gz ITSKOXCHJNZBQR-DLBZAZTESA-N 2 1 360.461 4.322 20 30 FIEDMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000651699306 1085388121 /nfs/dbraw/zinc/38/81/21/1085388121.db2.gz OVKXSMMSKUCMQW-PZJWPPBQSA-N 2 1 372.553 4.011 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400207 /nfs/dbraw/zinc/40/02/07/1085400207.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400215 /nfs/dbraw/zinc/40/02/15/1085400215.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400224 /nfs/dbraw/zinc/40/02/24/1085400224.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693443 1085400230 /nfs/dbraw/zinc/40/02/30/1085400230.db2.gz ZTMZUNWGIRAMLZ-PKOBYXMFSA-N 2 1 353.535 4.443 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194032026 1091675354 /nfs/dbraw/zinc/67/53/54/1091675354.db2.gz QGRGDUITBHFYGO-UHFFFAOYSA-N 2 1 363.343 4.325 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000521121017 1092498867 /nfs/dbraw/zinc/49/88/67/1092498867.db2.gz XKKZJOFIEJFYDD-IYBDPMFKSA-N 2 1 367.459 4.425 20 30 FIEDMP C[C@H]1C[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281938841 1095760927 /nfs/dbraw/zinc/76/09/27/1095760927.db2.gz IRPTVRYPGDDSEG-UNMCSNQZSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000281938841 1095760939 /nfs/dbraw/zinc/76/09/39/1095760939.db2.gz IRPTVRYPGDDSEG-UNMCSNQZSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938841 1095760960 /nfs/dbraw/zinc/76/09/60/1095760960.db2.gz IRPTVRYPGDDSEG-UNMCSNQZSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938841 1095760961 /nfs/dbraw/zinc/76/09/61/1095760961.db2.gz IRPTVRYPGDDSEG-UNMCSNQZSA-N 2 1 369.553 4.072 20 30 FIEDMP C=C(C)[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423053671 1096566484 /nfs/dbraw/zinc/56/64/84/1096566484.db2.gz SGDDFIWXPONZBT-HJNYFJLDSA-N 2 1 370.443 4.428 20 30 FIEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533448716 1099059337 /nfs/dbraw/zinc/05/93/37/1099059337.db2.gz OIRUYHSGNFTROM-QGZVFWFLSA-N 2 1 351.469 4.362 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533448716 1099059352 /nfs/dbraw/zinc/05/93/52/1099059352.db2.gz OIRUYHSGNFTROM-QGZVFWFLSA-N 2 1 351.469 4.362 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000174460150 1101395256 /nfs/dbraw/zinc/39/52/56/1101395256.db2.gz HDGPONCCCDKIOW-MMOPVJDHSA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000174460150 1101395260 /nfs/dbraw/zinc/39/52/60/1101395260.db2.gz HDGPONCCCDKIOW-MMOPVJDHSA-N 2 1 369.534 4.212 20 30 FIEDMP N#Cc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000551811319 1103691814 /nfs/dbraw/zinc/69/18/14/1103691814.db2.gz CQYGRIJRZRBODE-NUNAXRQHSA-N 2 1 357.501 4.333 20 30 FIEDMP N#Cc1cccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000551811319 1103691818 /nfs/dbraw/zinc/69/18/18/1103691818.db2.gz CQYGRIJRZRBODE-NUNAXRQHSA-N 2 1 357.501 4.333 20 30 FIEDMP C=CCc1cc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1O ZINC000554875749 1112540755 /nfs/dbraw/zinc/54/07/55/1112540755.db2.gz PQEUGQHPTMKVLH-UHFFFAOYSA-N 2 1 368.521 4.213 20 30 FIEDMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000555417776 1112831882 /nfs/dbraw/zinc/83/18/82/1112831882.db2.gz LIDQEOLIHCYTJP-FNAHDJPLSA-N 2 1 356.558 4.185 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482632207 1113315448 /nfs/dbraw/zinc/31/54/48/1113315448.db2.gz UPHJDXRVOUSFMX-FPOVZHCZSA-N 2 1 360.517 4.491 20 30 FIEDMP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000590649138 1114958933 /nfs/dbraw/zinc/95/89/33/1114958933.db2.gz YXPBVIDTOFDORQ-FVOUEADFSA-N 2 1 351.538 4.349 20 30 FIEDMP N#Cc1cccc(C2(N[C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365903 1115283320 /nfs/dbraw/zinc/28/33/20/1115283320.db2.gz GZQRJFIPJAJTIQ-QFIPXVFZSA-N 2 1 357.501 4.334 20 30 FIEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426791 1115926015 /nfs/dbraw/zinc/92/60/15/1115926015.db2.gz GUBKSSNVHNXUDW-JOCHJYFZSA-N 2 1 350.506 4.253 20 30 FIEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1F ZINC000540348620 1118005857 /nfs/dbraw/zinc/00/58/57/1118005857.db2.gz RFNKSZGPURZMFT-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101346 1119566087 /nfs/dbraw/zinc/56/60/87/1119566087.db2.gz LFFCNADOJMSPHL-ICSRJNTNSA-N 2 1 355.526 4.112 20 30 FIEDMP Cc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000302178462 1124291110 /nfs/dbraw/zinc/29/11/10/1124291110.db2.gz YGHWBSTXDZMEBA-UHFFFAOYSA-N 2 1 356.473 4.127 20 30 FIEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569634668 568411475 /nfs/dbraw/zinc/41/14/75/568411475.db2.gz XIHUJGIKEAJVHT-UHFFFAOYSA-N 2 1 364.415 4.248 20 30 FIEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000569634668 568411476 /nfs/dbraw/zinc/41/14/76/568411476.db2.gz XIHUJGIKEAJVHT-UHFFFAOYSA-N 2 1 364.415 4.248 20 30 FIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000580969432 1082261325 /nfs/dbraw/zinc/26/13/25/1082261325.db2.gz PBNZXHHKLSDUBY-DKLXNKCPSA-N 2 1 359.517 4.436 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000580969432 1082261328 /nfs/dbraw/zinc/26/13/28/1082261328.db2.gz PBNZXHHKLSDUBY-DKLXNKCPSA-N 2 1 359.517 4.436 20 30 FIEDMP N#Cc1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000380798325 1084193633 /nfs/dbraw/zinc/19/36/33/1084193633.db2.gz XZQNTVMYQHDIOG-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000236685383 1090453104 /nfs/dbraw/zinc/45/31/04/1090453104.db2.gz HXBXUXGGVJTMBV-FQEVSTJZSA-N 2 1 368.546 4.152 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000236685383 1090453106 /nfs/dbraw/zinc/45/31/06/1090453106.db2.gz HXBXUXGGVJTMBV-FQEVSTJZSA-N 2 1 368.546 4.152 20 30 FIEDMP COc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839392 /nfs/dbraw/zinc/83/93/92/1092839392.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 1 363.505 4.052 20 30 FIEDMP COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000442885729 1092839408 /nfs/dbraw/zinc/83/94/08/1092839408.db2.gz OCUQFOUBZVUDKZ-AVRDEDQJSA-N 2 1 363.505 4.052 20 30 FIEDMP C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855715 1092984976 /nfs/dbraw/zinc/98/49/76/1092984976.db2.gz BOISHJDPQYXWMH-SIKLNZKXSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855715 1092984979 /nfs/dbraw/zinc/98/49/79/1092984979.db2.gz BOISHJDPQYXWMH-SIKLNZKXSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855715 1092984984 /nfs/dbraw/zinc/98/49/84/1092984984.db2.gz BOISHJDPQYXWMH-SIKLNZKXSA-N 2 1 350.506 4.252 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659623 1093095757 /nfs/dbraw/zinc/09/57/57/1093095757.db2.gz ISXKQVLRUMWGFJ-DOTOQJQBSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281938819 1095760156 /nfs/dbraw/zinc/76/01/56/1095760156.db2.gz IRPTVRYPGDDSEG-IRLDBZIGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000281938819 1095760168 /nfs/dbraw/zinc/76/01/68/1095760168.db2.gz IRPTVRYPGDDSEG-IRLDBZIGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938819 1095760183 /nfs/dbraw/zinc/76/01/83/1095760183.db2.gz IRPTVRYPGDDSEG-IRLDBZIGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938819 1095760197 /nfs/dbraw/zinc/76/01/97/1095760197.db2.gz IRPTVRYPGDDSEG-IRLDBZIGSA-N 2 1 369.553 4.072 20 30 FIEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC ZINC000532985402 1098655486 /nfs/dbraw/zinc/65/54/86/1098655486.db2.gz HKTRLNGZUJLDIL-HXUWFJFHSA-N 2 1 360.542 4.108 20 30 FIEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533311668 1098947290 /nfs/dbraw/zinc/94/72/90/1098947290.db2.gz VVDRECQVSJTMGD-QGZVFWFLSA-N 2 1 351.469 4.219 20 30 FIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533311668 1098947293 /nfs/dbraw/zinc/94/72/93/1098947293.db2.gz VVDRECQVSJTMGD-QGZVFWFLSA-N 2 1 351.469 4.219 20 30 FIEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502146 1101248992 /nfs/dbraw/zinc/24/89/92/1101248992.db2.gz QQZOZFLIGXXMNL-VWPQPMDRSA-N 2 1 356.554 4.106 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000116367394 1102555475 /nfs/dbraw/zinc/55/54/75/1102555475.db2.gz OPEKOLAFWGQXPR-MOPGFXCFSA-N 2 1 363.505 4.293 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404602 1105250277 /nfs/dbraw/zinc/25/02/77/1105250277.db2.gz UWMDLDGSBNZXIH-HXUWFJFHSA-N 2 1 353.554 4.432 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404602 1105250279 /nfs/dbraw/zinc/25/02/79/1105250279.db2.gz UWMDLDGSBNZXIH-HXUWFJFHSA-N 2 1 353.554 4.432 20 30 FIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453297008 1108373949 /nfs/dbraw/zinc/37/39/49/1108373949.db2.gz VOFYXCGHMWNBIQ-KDQFFHPLSA-N 2 1 351.538 4.349 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000440818150 1108919003 /nfs/dbraw/zinc/91/90/03/1108919003.db2.gz GGYUOZMXUASUMM-GOSISDBHSA-N 2 1 363.505 4.089 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000482620348 1113312598 /nfs/dbraw/zinc/31/25/98/1113312598.db2.gz OSZVDGPQVCOAEM-OAHLLOKOSA-N 2 1 356.432 4.319 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482641165 1113318362 /nfs/dbraw/zinc/31/83/62/1113318362.db2.gz XZFAAZKSRRJRNW-SFHVURJKSA-N 2 1 367.306 4.206 20 30 FIEDMP C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000486488822 1113576713 /nfs/dbraw/zinc/57/67/13/1113576713.db2.gz MYQMABJXDOBSMI-SIKLNZKXSA-N 2 1 350.506 4.252 20 30 FIEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cc(C#N)cs3)cc2)CC1 ZINC000151378793 1114354392 /nfs/dbraw/zinc/35/43/92/1114354392.db2.gz OUDRJTCRMCQKFP-UHFFFAOYSA-N 2 1 354.523 4.010 20 30 FIEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212145522 1114431923 /nfs/dbraw/zinc/43/19/23/1114431923.db2.gz VTLCILNWFJJQKP-SFHVURJKSA-N 2 1 369.513 4.074 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000174460110 1116135097 /nfs/dbraw/zinc/13/50/97/1116135097.db2.gz UXVYGIUNTOUCAZ-DENIHFKCSA-N 2 1 368.546 4.323 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000174460110 1116135098 /nfs/dbraw/zinc/13/50/98/1116135098.db2.gz UXVYGIUNTOUCAZ-DENIHFKCSA-N 2 1 368.546 4.323 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000540604249 1118144060 /nfs/dbraw/zinc/14/40/60/1118144060.db2.gz ZDXWQSIYIKEJKP-UHFFFAOYSA-N 2 1 357.723 4.233 20 30 FIEDMP Cc1cccc(N2CCC([NH2+][C@H]3CCCCc4cc(C#N)ccc43)CC2)[nH+]1 ZINC000481664533 568083814 /nfs/dbraw/zinc/08/38/14/568083814.db2.gz BSPYIASUZZBQKQ-QFIPXVFZSA-N 2 1 360.505 4.288 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC001648808568 1081113194 /nfs/dbraw/zinc/11/31/94/1081113194.db2.gz UUAJKDAOFVDMLX-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC001648808568 1081113203 /nfs/dbraw/zinc/11/32/03/1081113203.db2.gz UUAJKDAOFVDMLX-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(C)C)c(OCC)c2)CC1 ZINC000236915363 1092008022 /nfs/dbraw/zinc/00/80/22/1092008022.db2.gz KDVHFRTXXYNFHW-UHFFFAOYSA-N 2 1 360.542 4.250 20 30 FIEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000432790743 1092378628 /nfs/dbraw/zinc/37/86/28/1092378628.db2.gz XWTZWUHSEKGLML-JOCHJYFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000432790743 1092378633 /nfs/dbraw/zinc/37/86/33/1092378633.db2.gz XWTZWUHSEKGLML-JOCHJYFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000512462041 1092423284 /nfs/dbraw/zinc/42/32/84/1092423284.db2.gz HCTATONMKUGUEB-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512643076 1093056931 /nfs/dbraw/zinc/05/69/31/1093056931.db2.gz VKMMRNSQEYJHHU-ZDUSSCGKSA-N 2 1 352.388 4.181 20 30 FIEDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512668310 1093111415 /nfs/dbraw/zinc/11/14/15/1093111415.db2.gz UMKGHQYZVLMBOM-QGZVFWFLSA-N 2 1 369.484 4.269 20 30 FIEDMP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417710 1094106412 /nfs/dbraw/zinc/10/64/12/1094106412.db2.gz YJKFVGVGDQKYRV-QFIPXVFZSA-N 2 1 369.553 4.457 20 30 FIEDMP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417710 1094106415 /nfs/dbraw/zinc/10/64/15/1094106415.db2.gz YJKFVGVGDQKYRV-QFIPXVFZSA-N 2 1 369.553 4.457 20 30 FIEDMP N#Cc1c(F)cccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000428299635 1094439304 /nfs/dbraw/zinc/43/93/04/1094439304.db2.gz FQGHBNAYKJDHRV-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1c(F)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000428299635 1094439309 /nfs/dbraw/zinc/43/93/09/1094439309.db2.gz FQGHBNAYKJDHRV-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013853 1100017969 /nfs/dbraw/zinc/01/79/69/1100017969.db2.gz UKVJXCHJUHEGHO-GHTZIAJQSA-N 2 1 354.494 4.297 20 30 FIEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260519 1103009027 /nfs/dbraw/zinc/00/90/27/1103009027.db2.gz YAXUQKLNQYDSCZ-FCHUYYIVSA-N 2 1 356.554 4.250 20 30 FIEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507560918 1103502972 /nfs/dbraw/zinc/50/29/72/1103502972.db2.gz ACNHLHDJHIQHIB-RBKXMNCYSA-N 2 1 353.554 4.492 20 30 FIEDMP Cc1ccc(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)[nH+]c1 ZINC000507648674 1103572549 /nfs/dbraw/zinc/57/25/49/1103572549.db2.gz HLYGOVOXJLPQEB-UHFFFAOYSA-N 2 1 374.532 4.353 20 30 FIEDMP CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020579 1108091233 /nfs/dbraw/zinc/09/12/33/1108091233.db2.gz PPMVKPLAACXVEN-RBBKRZOGSA-N 2 1 364.537 4.053 20 30 FIEDMP CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020579 1108091248 /nfs/dbraw/zinc/09/12/48/1108091248.db2.gz PPMVKPLAACXVEN-RBBKRZOGSA-N 2 1 364.537 4.053 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000440818154 1108918874 /nfs/dbraw/zinc/91/88/74/1108918874.db2.gz GGYUOZMXUASUMM-SFHVURJKSA-N 2 1 363.505 4.089 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000594914433 1115489187 /nfs/dbraw/zinc/48/91/87/1115489187.db2.gz IFUVCLOVPFMDQP-UHFFFAOYSA-N 2 1 359.517 4.038 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C#N ZINC000174269819 1116125606 /nfs/dbraw/zinc/12/56/06/1116125606.db2.gz NUEWAXIXRAYCEJ-SFHVURJKSA-N 2 1 363.505 4.089 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415634 1120792489 /nfs/dbraw/zinc/79/24/89/1120792489.db2.gz SAJZEMHMJVNQQF-JKFKMHIGSA-N 2 1 359.517 4.436 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000153000776 1125713858 /nfs/dbraw/zinc/71/38/58/1125713858.db2.gz YTCQLABFHFTPAU-MRXNPFEDSA-N 2 1 352.469 4.239 20 30 FIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177705493 1081579745 /nfs/dbraw/zinc/57/97/45/1081579745.db2.gz UQXNIFOHTOJYPY-UHFFFAOYSA-N 2 1 351.475 4.135 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844475 1082125975 /nfs/dbraw/zinc/12/59/75/1082125975.db2.gz BVJQGWJQXWBMHT-QGZVFWFLSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844475 1082125982 /nfs/dbraw/zinc/12/59/82/1082125982.db2.gz BVJQGWJQXWBMHT-QGZVFWFLSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844475 1082125985 /nfs/dbraw/zinc/12/59/85/1082125985.db2.gz BVJQGWJQXWBMHT-QGZVFWFLSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844475 1082125988 /nfs/dbraw/zinc/12/59/88/1082125988.db2.gz BVJQGWJQXWBMHT-QGZVFWFLSA-N 2 1 357.498 4.021 20 30 FIEDMP N#Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1F ZINC000380407135 1082844795 /nfs/dbraw/zinc/84/47/95/1082844795.db2.gz CZAHNDZLSZVITB-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588144 1084902109 /nfs/dbraw/zinc/90/21/09/1084902109.db2.gz VGAJDNHNHNKXFQ-FXAWDEMLSA-N 2 1 351.469 4.260 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588144 1084902113 /nfs/dbraw/zinc/90/21/13/1084902113.db2.gz VGAJDNHNHNKXFQ-FXAWDEMLSA-N 2 1 351.469 4.260 20 30 FIEDMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000125264024 1085373597 /nfs/dbraw/zinc/37/35/97/1085373597.db2.gz GBKGGGPWOSIGJS-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000125264024 1085373607 /nfs/dbraw/zinc/37/36/07/1085373607.db2.gz GBKGGGPWOSIGJS-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504925793 1087992038 /nfs/dbraw/zinc/99/20/38/1087992038.db2.gz FAKPOOMIZKLBLM-MRXNPFEDSA-N 2 1 363.527 4.096 20 30 FIEDMP Clc1ccc(C#CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434691310 1088948242 /nfs/dbraw/zinc/94/82/42/1088948242.db2.gz PXDUAVMHSODTII-UHFFFAOYSA-N 2 1 353.897 4.104 20 30 FIEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000432794933 1092394097 /nfs/dbraw/zinc/39/40/97/1092394097.db2.gz UZFTUGANBACRCX-JOCHJYFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000432794933 1092394110 /nfs/dbraw/zinc/39/41/10/1092394110.db2.gz UZFTUGANBACRCX-JOCHJYFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614168847 1093040256 /nfs/dbraw/zinc/04/02/56/1093040256.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614168847 1093040262 /nfs/dbraw/zinc/04/02/62/1093040262.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614168847 1093040270 /nfs/dbraw/zinc/04/02/70/1093040270.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000513499201 1094173184 /nfs/dbraw/zinc/17/31/84/1094173184.db2.gz DWXHYZNJOJIAIC-PXNSSMCTSA-N 2 1 351.469 4.088 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181573915 1101594706 /nfs/dbraw/zinc/59/47/06/1101594706.db2.gz XAUCVOUJKUKWHI-OAHLLOKOSA-N 2 1 364.424 4.073 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000237491532 1103097607 /nfs/dbraw/zinc/09/76/07/1103097607.db2.gz XCHQHPRVLSGOFB-PKOBYXMFSA-N 2 1 369.534 4.041 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237491532 1103097625 /nfs/dbraw/zinc/09/76/25/1103097625.db2.gz XCHQHPRVLSGOFB-PKOBYXMFSA-N 2 1 369.534 4.041 20 30 FIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccs1 ZINC000262510007 1107439060 /nfs/dbraw/zinc/43/90/60/1107439060.db2.gz CUOZJVURGHFUNI-FXAWDEMLSA-N 2 1 368.550 4.047 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000440831001 1108939996 /nfs/dbraw/zinc/93/99/96/1108939996.db2.gz LNSKVZFFDFLPAK-SFHVURJKSA-N 2 1 363.505 4.089 20 30 FIEDMP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000448048383 1109708821 /nfs/dbraw/zinc/70/88/21/1109708821.db2.gz KJLOOWFHZAIKSV-QHCPKHFHSA-N 2 1 350.506 4.316 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540673 /nfs/dbraw/zinc/54/06/73/1114540673.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 2 1 353.535 4.077 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540677 /nfs/dbraw/zinc/54/06/77/1114540677.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 2 1 353.535 4.077 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540680 /nfs/dbraw/zinc/54/06/80/1114540680.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 2 1 353.535 4.077 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000594500670 1115451070 /nfs/dbraw/zinc/45/10/70/1115451070.db2.gz AREXNIJZCWSNJN-QFIPXVFZSA-N 2 1 361.533 4.142 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000594928924 1115490567 /nfs/dbraw/zinc/49/05/67/1115490567.db2.gz WXORMYXIJNQDEI-LJQANCHMSA-N 2 1 365.546 4.305 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2)CC1 ZINC000594928924 1115490569 /nfs/dbraw/zinc/49/05/69/1115490569.db2.gz WXORMYXIJNQDEI-LJQANCHMSA-N 2 1 365.546 4.305 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594941805 1115501782 /nfs/dbraw/zinc/50/17/82/1115501782.db2.gz ARZDQYZPPOXRAH-DENIHFKCSA-N 2 1 359.517 4.242 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C#N ZINC000174269805 1116125434 /nfs/dbraw/zinc/12/54/34/1116125434.db2.gz NUEWAXIXRAYCEJ-GOSISDBHSA-N 2 1 363.505 4.089 20 30 FIEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)ccc1C#N ZINC000443996868 1119178987 /nfs/dbraw/zinc/17/89/87/1119178987.db2.gz KPSJIPBDGCNJKF-UHFFFAOYSA-N 2 1 359.473 4.382 20 30 FIEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000153706263 1121036753 /nfs/dbraw/zinc/03/67/53/1121036753.db2.gz JVZHDXNUDZNRRZ-MRXNPFEDSA-N 2 1 363.436 4.183 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016635 1085248991 /nfs/dbraw/zinc/24/89/91/1085248991.db2.gz PMJSATYQLDNPGY-PZJWPPBQSA-N 2 1 355.526 4.065 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016635 1085248997 /nfs/dbraw/zinc/24/89/97/1085248997.db2.gz PMJSATYQLDNPGY-PZJWPPBQSA-N 2 1 355.526 4.065 20 30 FIEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905871 1085805272 /nfs/dbraw/zinc/80/52/72/1085805272.db2.gz NWRKYKDIXJXWLD-GOSISDBHSA-N 2 1 374.488 4.068 20 30 FIEDMP N#Cc1cc(F)ccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433174304 1093366598 /nfs/dbraw/zinc/36/65/98/1093366598.db2.gz MUWBIUNISVEDMP-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1cc(F)ccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433174304 1093366608 /nfs/dbraw/zinc/36/66/08/1093366608.db2.gz MUWBIUNISVEDMP-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000614403299 1093821634 /nfs/dbraw/zinc/82/16/34/1093821634.db2.gz PSSCZSOHYUWXSW-UHFFFAOYSA-N 2 1 359.517 4.355 20 30 FIEDMP C=CC[NH+]1CCC([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501426985 1094705502 /nfs/dbraw/zinc/70/55/02/1094705502.db2.gz WYHZGNILGAKHEO-UHFFFAOYSA-N 2 1 356.460 4.337 20 30 FIEDMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447381 1094909866 /nfs/dbraw/zinc/90/98/66/1094909866.db2.gz MDOPCBOTQSMJNF-DFQSSKMNSA-N 2 1 370.541 4.077 20 30 FIEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447381 1094909871 /nfs/dbraw/zinc/90/98/71/1094909871.db2.gz MDOPCBOTQSMJNF-DFQSSKMNSA-N 2 1 370.541 4.077 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000532990068 1098671344 /nfs/dbraw/zinc/67/13/44/1098671344.db2.gz TVUYSHSSMNEGSG-HDICACEKSA-N 2 1 365.496 4.465 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000532990068 1098671354 /nfs/dbraw/zinc/67/13/54/1098671354.db2.gz TVUYSHSSMNEGSG-HDICACEKSA-N 2 1 365.496 4.465 20 30 FIEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502145 1101249134 /nfs/dbraw/zinc/24/91/34/1101249134.db2.gz QQZOZFLIGXXMNL-TUNNFDKTSA-N 2 1 356.554 4.106 20 30 FIEDMP CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020576 1108090704 /nfs/dbraw/zinc/09/07/04/1108090704.db2.gz PPMVKPLAACXVEN-IRLDBZIGSA-N 2 1 364.537 4.053 20 30 FIEDMP CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020576 1108090716 /nfs/dbraw/zinc/09/07/16/1108090716.db2.gz PPMVKPLAACXVEN-IRLDBZIGSA-N 2 1 364.537 4.053 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594916914 1115489198 /nfs/dbraw/zinc/48/91/98/1115489198.db2.gz CTSCAOLRIMPAEJ-QFIPXVFZSA-N 2 1 359.517 4.244 20 30 FIEDMP N#Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999644 1115506917 /nfs/dbraw/zinc/50/69/17/1115506917.db2.gz FCXUTPWYIFRUOG-IBGZPJMESA-N 2 1 351.519 4.012 20 30 FIEDMP C=CC[N@H+](CCc1ccco1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000495181834 1120530651 /nfs/dbraw/zinc/53/06/51/1120530651.db2.gz FWSYNJOZVMXERK-UHFFFAOYSA-N 2 1 367.537 4.041 20 30 FIEDMP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000170670679 1122158004 /nfs/dbraw/zinc/15/80/04/1122158004.db2.gz FRVDLNIWVKSYLF-UHFFFAOYSA-N 2 1 365.546 4.046 20 30 FIEDMP N#Cc1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000556883420 1123159117 /nfs/dbraw/zinc/15/91/17/1123159117.db2.gz JIHWHMADDSVNNB-UHFFFAOYSA-N 2 1 351.519 4.108 20 30 FIEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551204 1124118731 /nfs/dbraw/zinc/11/87/31/1124118731.db2.gz AYARJWAGTFGRLZ-UNMCSNQZSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551204 1124118734 /nfs/dbraw/zinc/11/87/34/1124118734.db2.gz AYARJWAGTFGRLZ-UNMCSNQZSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551204 1124118737 /nfs/dbraw/zinc/11/87/37/1124118737.db2.gz AYARJWAGTFGRLZ-UNMCSNQZSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000245551204 1124118739 /nfs/dbraw/zinc/11/87/39/1124118739.db2.gz AYARJWAGTFGRLZ-UNMCSNQZSA-N 2 1 369.553 4.456 20 30 FIEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000181737317 1125118049 /nfs/dbraw/zinc/11/80/49/1125118049.db2.gz QRKFXTUYXUZXGO-INIZCTEOSA-N 2 1 368.550 4.140 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805617 1125284881 /nfs/dbraw/zinc/28/48/81/1125284881.db2.gz IWGRLOHWTZRJFL-YCSHWKNNSA-N 2 1 357.501 4.331 20 30 FIEDMP C[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755810 1125682360 /nfs/dbraw/zinc/68/23/60/1125682360.db2.gz UOIBVSFJLZMPKH-OXJNMPFZSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000619755810 1125682361 /nfs/dbraw/zinc/68/23/61/1125682361.db2.gz UOIBVSFJLZMPKH-OXJNMPFZSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000619755810 1125682362 /nfs/dbraw/zinc/68/23/62/1125682362.db2.gz UOIBVSFJLZMPKH-OXJNMPFZSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755810 1125682363 /nfs/dbraw/zinc/68/23/63/1125682363.db2.gz UOIBVSFJLZMPKH-OXJNMPFZSA-N 2 1 353.897 4.354 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000152936833 1125694190 /nfs/dbraw/zinc/69/41/90/1125694190.db2.gz QFWQXMBMVRRTFT-SFHVURJKSA-N 2 1 372.557 4.251 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183150222 1125761297 /nfs/dbraw/zinc/76/12/97/1125761297.db2.gz DSWGOKKCRKRKIH-UHFFFAOYSA-N 2 1 366.505 4.101 20 30 FIEDMP CCN1CCC([N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000125275895 1085375587 /nfs/dbraw/zinc/37/55/87/1085375587.db2.gz DNAYWXOXDKKRMH-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP CC[NH+]1CCC(N(C)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000125275895 1085375597 /nfs/dbraw/zinc/37/55/97/1085375597.db2.gz DNAYWXOXDKKRMH-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000125275895 1085375602 /nfs/dbraw/zinc/37/56/02/1085375602.db2.gz DNAYWXOXDKKRMH-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000125275895 1085375608 /nfs/dbraw/zinc/37/56/08/1085375608.db2.gz DNAYWXOXDKKRMH-UHFFFAOYSA-N 2 1 363.505 4.053 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188192290 1086148169 /nfs/dbraw/zinc/14/81/69/1086148169.db2.gz CVFDMAHUTAHPAZ-OAHLLOKOSA-N 2 1 351.332 4.010 20 30 FIEDMP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614168848 1093040588 /nfs/dbraw/zinc/04/05/88/1093040588.db2.gz YCRKAUSBCARQMK-QFIPXVFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614168848 1093040592 /nfs/dbraw/zinc/04/05/92/1093040592.db2.gz YCRKAUSBCARQMK-QFIPXVFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614168848 1093040599 /nfs/dbraw/zinc/04/05/99/1093040599.db2.gz YCRKAUSBCARQMK-QFIPXVFZSA-N 2 1 361.533 4.442 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614183080 1093080952 /nfs/dbraw/zinc/08/09/52/1093080952.db2.gz WLKRNJVRPKUVGQ-UGKGYDQZSA-N 2 1 361.533 4.488 20 30 FIEDMP C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023503 1093361884 /nfs/dbraw/zinc/36/18/84/1093361884.db2.gz XBLFDBUQCPOTOM-UPHUGPLXSA-N 2 1 351.469 4.229 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023503 1093361903 /nfs/dbraw/zinc/36/19/03/1093361903.db2.gz XBLFDBUQCPOTOM-UPHUGPLXSA-N 2 1 351.469 4.229 20 30 FIEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414537573 1095763550 /nfs/dbraw/zinc/76/35/50/1095763550.db2.gz PKPKWZGVCOLKCD-SFHVURJKSA-N 2 1 355.551 4.187 20 30 FIEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414537573 1095763564 /nfs/dbraw/zinc/76/35/64/1095763564.db2.gz PKPKWZGVCOLKCD-SFHVURJKSA-N 2 1 355.551 4.187 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000246096618 1098988284 /nfs/dbraw/zinc/98/82/84/1098988284.db2.gz HDGPONCCCDKIOW-HGHGUNKESA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000246096618 1098988288 /nfs/dbraw/zinc/98/82/88/1098988288.db2.gz HDGPONCCCDKIOW-HGHGUNKESA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000438453987 1100664786 /nfs/dbraw/zinc/66/47/86/1100664786.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 1 350.481 4.162 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000537159359 1101505998 /nfs/dbraw/zinc/50/59/98/1101505998.db2.gz PGBJPELFWKYNFR-KRWDZBQOSA-N 2 1 360.461 4.172 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631764 1101596035 /nfs/dbraw/zinc/59/60/35/1101596035.db2.gz VRRXRSOHNILPKP-ZWKOTPCHSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631764 1101596047 /nfs/dbraw/zinc/59/60/47/1101596047.db2.gz VRRXRSOHNILPKP-ZWKOTPCHSA-N 2 1 369.534 4.213 20 30 FIEDMP N#Cc1ccccc1COc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000520208793 1104173822 /nfs/dbraw/zinc/17/38/22/1104173822.db2.gz MJANFOJTLZWIBN-UHFFFAOYSA-N 2 1 363.505 4.103 20 30 FIEDMP CC[N@@H+](CC#Cc1ccccc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000441169668 1104179968 /nfs/dbraw/zinc/17/99/68/1104179968.db2.gz PEZDQJCLCVINBT-UHFFFAOYSA-N 2 1 367.924 4.325 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000555104370 1112670076 /nfs/dbraw/zinc/67/00/76/1112670076.db2.gz IWUBVUZGTIBFHA-YOEHRIQHSA-N 2 1 365.443 4.320 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000555104370 1112670086 /nfs/dbraw/zinc/67/00/86/1112670086.db2.gz IWUBVUZGTIBFHA-YOEHRIQHSA-N 2 1 365.443 4.320 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000482620346 1113312693 /nfs/dbraw/zinc/31/26/93/1113312693.db2.gz OSZVDGPQVCOAEM-HNNXBMFYSA-N 2 1 356.432 4.319 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000596996685 1115634033 /nfs/dbraw/zinc/63/40/33/1115634033.db2.gz ZYOKLFZIKRPJPH-OAQYLSRUSA-N 2 1 351.538 4.186 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000596996685 1115634034 /nfs/dbraw/zinc/63/40/34/1115634034.db2.gz ZYOKLFZIKRPJPH-OAQYLSRUSA-N 2 1 351.538 4.186 20 30 FIEDMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H](C#N)C1 ZINC000599611333 1115831714 /nfs/dbraw/zinc/83/17/14/1115831714.db2.gz ZDVJFASVMQWFQR-FTMCFMMZSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H](C#N)C1 ZINC000599611333 1115831715 /nfs/dbraw/zinc/83/17/15/1115831715.db2.gz ZDVJFASVMQWFQR-FTMCFMMZSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H](C#N)C1 ZINC000599611333 1115831717 /nfs/dbraw/zinc/83/17/17/1115831717.db2.gz ZDVJFASVMQWFQR-FTMCFMMZSA-N 2 1 356.558 4.041 20 30 FIEDMP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174450032 1116134884 /nfs/dbraw/zinc/13/48/84/1116134884.db2.gz UVPKTFGRXRFXCM-UHFFFAOYSA-N 2 1 374.484 4.213 20 30 FIEDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000124989882 1121737927 /nfs/dbraw/zinc/73/79/27/1121737927.db2.gz SUMOWKUSXWXVQV-UHFFFAOYSA-N 2 1 362.452 4.295 20 30 FIEDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000124989882 1121737931 /nfs/dbraw/zinc/73/79/31/1121737931.db2.gz SUMOWKUSXWXVQV-UHFFFAOYSA-N 2 1 362.452 4.295 20 30 FIEDMP C=CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233743 1122750587 /nfs/dbraw/zinc/75/05/87/1122750587.db2.gz QJZFRMYOQNLWDY-XZOQPEGZSA-N 2 1 368.565 4.250 20 30 FIEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000135264225 1123731532 /nfs/dbraw/zinc/73/15/32/1123731532.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 2 1 361.533 4.442 20 30 FIEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135264225 1123731534 /nfs/dbraw/zinc/73/15/34/1123731534.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 2 1 361.533 4.442 20 30 FIEDMP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000237570333 1123980939 /nfs/dbraw/zinc/98/09/39/1123980939.db2.gz UNYONOQYXRSZTJ-NZQKXSOJSA-N 2 1 362.517 4.231 20 30 FIEDMP FC(F)(F)c1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246972583 1124576929 /nfs/dbraw/zinc/57/69/29/1124576929.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 1 362.439 4.006 20 30 FIEDMP CCCCCCCC[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001125287435 1079862167 /nfs/dbraw/zinc/86/21/67/1079862167.db2.gz ROINSWUTUWHDEX-SFHVURJKSA-N 2 1 360.546 4.159 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000535813199 1083684510 /nfs/dbraw/zinc/68/45/10/1083684510.db2.gz RZBYZYWYQPLMGJ-UHFFFAOYSA-N 2 1 360.542 4.202 20 30 FIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000580969434 1084496878 /nfs/dbraw/zinc/49/68/78/1084496878.db2.gz PBNZXHHKLSDUBY-DQMJNTIXSA-N 2 1 359.517 4.436 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000580969434 1084496892 /nfs/dbraw/zinc/49/68/92/1084496892.db2.gz PBNZXHHKLSDUBY-DQMJNTIXSA-N 2 1 359.517 4.436 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000611587484 1084882912 /nfs/dbraw/zinc/88/29/12/1084882912.db2.gz CZZLHUPBHJZUHZ-QNWVGRARSA-N 2 1 363.480 4.088 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000611587484 1084882921 /nfs/dbraw/zinc/88/29/21/1084882921.db2.gz CZZLHUPBHJZUHZ-QNWVGRARSA-N 2 1 363.480 4.088 20 30 FIEDMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1cccc(C#N)c1 ZINC001167709792 1088508383 /nfs/dbraw/zinc/50/83/83/1088508383.db2.gz DCWRNJRDGOPXEW-OXJNMPFZSA-N 2 1 359.477 4.396 20 30 FIEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434747475 1089016906 /nfs/dbraw/zinc/01/69/06/1089016906.db2.gz QDXLJAIVMIHRHY-UHFFFAOYSA-N 2 1 362.521 4.400 20 30 FIEDMP C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288151 1092015090 /nfs/dbraw/zinc/01/50/90/1092015090.db2.gz MHQWMUDMFHHUMJ-ZWOKBUDYSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288151 1092015100 /nfs/dbraw/zinc/01/51/00/1092015100.db2.gz MHQWMUDMFHHUMJ-ZWOKBUDYSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288151 1092015108 /nfs/dbraw/zinc/01/51/08/1092015108.db2.gz MHQWMUDMFHHUMJ-ZWOKBUDYSA-N 2 1 351.469 4.259 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000421869441 1095980878 /nfs/dbraw/zinc/98/08/78/1095980878.db2.gz DTATXJXFZPIOLK-NJYVYQBISA-N 2 1 351.519 4.153 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000245873279 1098825693 /nfs/dbraw/zinc/82/56/93/1098825693.db2.gz JTHFBRZRUGDIOL-YRISNDGFSA-N 2 1 369.534 4.384 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000245873279 1098825708 /nfs/dbraw/zinc/82/57/08/1098825708.db2.gz JTHFBRZRUGDIOL-YRISNDGFSA-N 2 1 369.534 4.384 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000181573895 1101594879 /nfs/dbraw/zinc/59/48/79/1101594879.db2.gz XAUCVOUJKUKWHI-HNNXBMFYSA-N 2 1 364.424 4.073 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407808 1101755142 /nfs/dbraw/zinc/75/51/42/1101755142.db2.gz UWJSXZWBCCRFFD-WWMYMODYSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407808 1101755146 /nfs/dbraw/zinc/75/51/46/1101755146.db2.gz UWJSXZWBCCRFFD-WWMYMODYSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000453168285 1108240035 /nfs/dbraw/zinc/24/00/35/1108240035.db2.gz DVJBKJFUGBRKHT-LJQANCHMSA-N 2 1 359.517 4.233 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453209381 1108280196 /nfs/dbraw/zinc/28/01/96/1108280196.db2.gz IEVATKAVPZCQGQ-SPODAUKWSA-N 2 1 351.538 4.349 20 30 FIEDMP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000590649139 1114959147 /nfs/dbraw/zinc/95/91/47/1114959147.db2.gz YXPBVIDTOFDORQ-PZYNUVDYSA-N 2 1 351.538 4.349 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367446 1115279930 /nfs/dbraw/zinc/27/99/30/1115279930.db2.gz VHMJHIKIGZUCEO-FYYLOGMGSA-N 2 1 357.501 4.332 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367446 1115279933 /nfs/dbraw/zinc/27/99/33/1115279933.db2.gz VHMJHIKIGZUCEO-FYYLOGMGSA-N 2 1 357.501 4.332 20 30 FIEDMP CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591752 1115599953 /nfs/dbraw/zinc/59/99/53/1115599953.db2.gz LNONTTWQMNKGQP-NNWRFLSQSA-N 2 1 351.538 4.301 20 30 FIEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995050 1115634186 /nfs/dbraw/zinc/63/41/86/1115634186.db2.gz FYUJTOFHCTYPCN-CTNGQTDRSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995050 1115634188 /nfs/dbraw/zinc/63/41/88/1115634188.db2.gz FYUJTOFHCTYPCN-CTNGQTDRSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995050 1115634191 /nfs/dbraw/zinc/63/41/91/1115634191.db2.gz FYUJTOFHCTYPCN-CTNGQTDRSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995050 1115634192 /nfs/dbraw/zinc/63/41/92/1115634192.db2.gz FYUJTOFHCTYPCN-CTNGQTDRSA-N 2 1 351.538 4.328 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000596996684 1115634318 /nfs/dbraw/zinc/63/43/18/1115634318.db2.gz ZYOKLFZIKRPJPH-NRFANRHFSA-N 2 1 351.538 4.186 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000596996684 1115634320 /nfs/dbraw/zinc/63/43/20/1115634320.db2.gz ZYOKLFZIKRPJPH-NRFANRHFSA-N 2 1 351.538 4.186 20 30 FIEDMP C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183102515 1119565955 /nfs/dbraw/zinc/56/59/55/1119565955.db2.gz CKLCCKDTBSEIFG-UYAOXDASSA-N 2 1 372.553 4.393 20 30 FIEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531568 1119982605 /nfs/dbraw/zinc/98/26/05/1119982605.db2.gz QHZUWSBOQHUPBA-OAQYLSRUSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531568 1119982606 /nfs/dbraw/zinc/98/26/06/1119982606.db2.gz QHZUWSBOQHUPBA-OAQYLSRUSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531568 1119982609 /nfs/dbraw/zinc/98/26/09/1119982609.db2.gz QHZUWSBOQHUPBA-OAQYLSRUSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531568 1119982611 /nfs/dbraw/zinc/98/26/11/1119982611.db2.gz QHZUWSBOQHUPBA-OAQYLSRUSA-N 2 1 361.533 4.160 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000236691016 1123549493 /nfs/dbraw/zinc/54/94/93/1123549493.db2.gz UXRFOCYJKFCCJI-UHFFFAOYSA-N 2 1 350.506 4.396 20 30 FIEDMP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301695472 1124252717 /nfs/dbraw/zinc/25/27/17/1124252717.db2.gz YNMNFBUPASPCEW-UHFFFAOYSA-N 2 1 374.463 4.266 20 30 FIEDMP CC[N@@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000602477208 567984396 /nfs/dbraw/zinc/98/43/96/567984396.db2.gz ZEEPMWYFRCKWQM-QGZVFWFLSA-N 2 1 357.546 4.139 20 30 FIEDMP CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000619295313 1125553348 /nfs/dbraw/zinc/55/33/48/1125553348.db2.gz OKKAPKIUHVWLQC-SZPZYZBQSA-N 2 1 359.517 4.052 20 30 FIEDMP CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000619295313 1125553355 /nfs/dbraw/zinc/55/33/55/1125553355.db2.gz OKKAPKIUHVWLQC-SZPZYZBQSA-N 2 1 359.517 4.052 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000619295313 1125553363 /nfs/dbraw/zinc/55/33/63/1125553363.db2.gz OKKAPKIUHVWLQC-SZPZYZBQSA-N 2 1 359.517 4.052 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000619295313 1125553370 /nfs/dbraw/zinc/55/33/70/1125553370.db2.gz OKKAPKIUHVWLQC-SZPZYZBQSA-N 2 1 359.517 4.052 20 30 FIEDMP N#Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000619755822 1125682367 /nfs/dbraw/zinc/68/23/67/1125682367.db2.gz UYWDTEIDJUTTTF-WKCHPHFGSA-N 2 1 365.908 4.497 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000619755822 1125682369 /nfs/dbraw/zinc/68/23/69/1125682369.db2.gz UYWDTEIDJUTTTF-WKCHPHFGSA-N 2 1 365.908 4.497 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000152951320 1125700850 /nfs/dbraw/zinc/70/08/50/1125700850.db2.gz AEHNMZPVCZXSEI-CYBMUJFWSA-N 2 1 355.295 4.279 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176949080 1081170856 /nfs/dbraw/zinc/17/08/56/1081170856.db2.gz KYQQUQNTSUOGTG-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844474 1082126425 /nfs/dbraw/zinc/12/64/25/1082126425.db2.gz BVJQGWJQXWBMHT-KRWDZBQOSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844474 1082126430 /nfs/dbraw/zinc/12/64/30/1082126430.db2.gz BVJQGWJQXWBMHT-KRWDZBQOSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844474 1082126435 /nfs/dbraw/zinc/12/64/35/1082126435.db2.gz BVJQGWJQXWBMHT-KRWDZBQOSA-N 2 1 357.498 4.021 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000579844474 1082126437 /nfs/dbraw/zinc/12/64/37/1082126437.db2.gz BVJQGWJQXWBMHT-KRWDZBQOSA-N 2 1 357.498 4.021 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588146 1084902259 /nfs/dbraw/zinc/90/22/59/1084902259.db2.gz VGAJDNHNHNKXFQ-XLIONFOSSA-N 2 1 351.469 4.260 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588146 1084902265 /nfs/dbraw/zinc/90/22/65/1084902265.db2.gz VGAJDNHNHNKXFQ-XLIONFOSSA-N 2 1 351.469 4.260 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000119805981 1085019115 /nfs/dbraw/zinc/01/91/15/1085019115.db2.gz ITSKOXCHJNZBQR-IAGOWNOFSA-N 2 1 360.461 4.322 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000237483399 1085664363 /nfs/dbraw/zinc/66/43/63/1085664363.db2.gz WCQNSKFLWOEIJF-FQEVSTJZSA-N 2 1 362.517 4.404 20 30 FIEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312939000 1091769188 /nfs/dbraw/zinc/76/91/88/1091769188.db2.gz GAMZSUSVTDYNLR-UHFFFAOYSA-N 2 1 359.517 4.355 20 30 FIEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000246840484 1093094162 /nfs/dbraw/zinc/09/41/62/1093094162.db2.gz BQXLDSCKVBPLLP-VQIMIIECSA-N 2 1 356.539 4.175 20 30 FIEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)cc1 ZINC001279143049 1095690558 /nfs/dbraw/zinc/69/05/58/1095690558.db2.gz JZLJIHXRMZWJCS-KDURUIRLSA-N 2 1 365.443 4.045 20 30 FIEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)cc1 ZINC001279143049 1095690561 /nfs/dbraw/zinc/69/05/61/1095690561.db2.gz JZLJIHXRMZWJCS-KDURUIRLSA-N 2 1 365.443 4.045 20 30 FIEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)cc1 ZINC001279143049 1095690562 /nfs/dbraw/zinc/69/05/62/1095690562.db2.gz JZLJIHXRMZWJCS-KDURUIRLSA-N 2 1 365.443 4.045 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000421869443 1095981005 /nfs/dbraw/zinc/98/10/05/1095981005.db2.gz DTATXJXFZPIOLK-PWRODBHTSA-N 2 1 351.519 4.153 20 30 FIEDMP C=C(C)[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423053670 1096566036 /nfs/dbraw/zinc/56/60/36/1096566036.db2.gz SGDDFIWXPONZBT-BVSLBCMMSA-N 2 1 370.443 4.428 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237484230 1099934364 /nfs/dbraw/zinc/93/43/64/1099934364.db2.gz AFKMVBDXZLMLMS-IBGZPJMESA-N 2 1 363.505 4.040 20 30 FIEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000536832749 1100342807 /nfs/dbraw/zinc/34/28/07/1100342807.db2.gz KWSDSYYXPMGDBX-LJQANCHMSA-N 2 1 370.459 4.413 20 30 FIEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000122226581 1102537095 /nfs/dbraw/zinc/53/70/95/1102537095.db2.gz FOPLXAHKBGWHGO-UHFFFAOYSA-N 2 1 371.569 4.058 20 30 FIEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167978559 1102745416 /nfs/dbraw/zinc/74/54/16/1102745416.db2.gz PAUXZEYQDUWPCD-AYHJJNSGSA-N 2 1 363.427 4.072 20 30 FIEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167978559 1102745429 /nfs/dbraw/zinc/74/54/29/1102745429.db2.gz PAUXZEYQDUWPCD-AYHJJNSGSA-N 2 1 363.427 4.072 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000532231100 1108725154 /nfs/dbraw/zinc/72/51/54/1108725154.db2.gz RGRCSQBPTLHNRC-SFHVURJKSA-N 2 1 357.542 4.157 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC000440815674 1108917132 /nfs/dbraw/zinc/91/71/32/1108917132.db2.gz KGBHBTNYUBJVDI-SFHVURJKSA-N 2 1 363.505 4.231 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000174460122 1113616650 /nfs/dbraw/zinc/61/66/50/1113616650.db2.gz UXVYGIUNTOUCAZ-SIKLNZKXSA-N 2 1 368.546 4.323 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000174460122 1113616658 /nfs/dbraw/zinc/61/66/58/1113616658.db2.gz UXVYGIUNTOUCAZ-SIKLNZKXSA-N 2 1 368.546 4.323 20 30 FIEDMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000488129511 1113858338 /nfs/dbraw/zinc/85/83/38/1113858338.db2.gz CCNYFZIDVJKPFI-UHFFFAOYSA-N 2 1 359.517 4.355 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000594921464 1115489640 /nfs/dbraw/zinc/48/96/40/1115489640.db2.gz KTRRSAINJOHJSJ-WIYYLYMNSA-N 2 1 365.546 4.476 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000594921464 1115489642 /nfs/dbraw/zinc/48/96/42/1115489642.db2.gz KTRRSAINJOHJSJ-WIYYLYMNSA-N 2 1 365.546 4.476 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942701 1115501458 /nfs/dbraw/zinc/50/14/58/1115501458.db2.gz ZIZHRIZWGDSUDL-AUSIDOKSSA-N 2 1 359.517 4.242 20 30 FIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942703 1115501741 /nfs/dbraw/zinc/50/17/41/1115501741.db2.gz ZIZHRIZWGDSUDL-WMZHIEFXSA-N 2 1 359.517 4.242 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596093707 1115574204 /nfs/dbraw/zinc/57/42/04/1115574204.db2.gz DYZDFVAUTMQTOI-RBKXMNCYSA-N 2 1 351.538 4.102 20 30 FIEDMP CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591750 1115600044 /nfs/dbraw/zinc/60/00/44/1115600044.db2.gz LNONTTWQMNKGQP-FCEUIQTBSA-N 2 1 351.538 4.301 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000596648267 1115606768 /nfs/dbraw/zinc/60/67/68/1115606768.db2.gz NPBCBLJAAURJCA-BIELFDCTSA-N 2 1 359.517 4.126 20 30 FIEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995053 1115634300 /nfs/dbraw/zinc/63/43/00/1115634300.db2.gz FYUJTOFHCTYPCN-TZIWHRDSSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995053 1115634302 /nfs/dbraw/zinc/63/43/02/1115634302.db2.gz FYUJTOFHCTYPCN-TZIWHRDSSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995053 1115634304 /nfs/dbraw/zinc/63/43/04/1115634304.db2.gz FYUJTOFHCTYPCN-TZIWHRDSSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995053 1115634305 /nfs/dbraw/zinc/63/43/05/1115634305.db2.gz FYUJTOFHCTYPCN-TZIWHRDSSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101303 1119566137 /nfs/dbraw/zinc/56/61/37/1119566137.db2.gz LFFCNADOJMSPHL-AZUAARDMSA-N 2 1 355.526 4.112 20 30 FIEDMP N#CC[C@@H]1CCC[NH+](CC(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc2)C1 ZINC000602883751 568005082 /nfs/dbraw/zinc/00/50/82/568005082.db2.gz LZUDDCRLBCXESN-SFTDATJTSA-N 2 1 364.537 4.022 20 30 FIEDMP N#CC[C@@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc2)C1 ZINC000602883751 568005084 /nfs/dbraw/zinc/00/50/84/568005084.db2.gz LZUDDCRLBCXESN-SFTDATJTSA-N 2 1 364.537 4.022 20 30 FIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755370 1125681170 /nfs/dbraw/zinc/68/11/70/1125681170.db2.gz FZNPDCBFSRJXJP-KKSFZXQISA-N 2 1 353.897 4.212 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000180539345 1087960377 /nfs/dbraw/zinc/96/03/77/1087960377.db2.gz HMPQKXNYOIUZHE-SJORKVTESA-N 2 1 360.461 4.495 20 30 FIEDMP C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512288149 1092015492 /nfs/dbraw/zinc/01/54/92/1092015492.db2.gz MHQWMUDMFHHUMJ-UWVAXJGDSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512288149 1092015500 /nfs/dbraw/zinc/01/55/00/1092015500.db2.gz MHQWMUDMFHHUMJ-UWVAXJGDSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512288149 1092015513 /nfs/dbraw/zinc/01/55/13/1092015513.db2.gz MHQWMUDMFHHUMJ-UWVAXJGDSA-N 2 1 351.469 4.259 20 30 FIEDMP C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513128160 1093868623 /nfs/dbraw/zinc/86/86/23/1093868623.db2.gz OGACYEIDPQRLID-VSGJHWFKSA-N 2 1 373.544 4.443 20 30 FIEDMP C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513128160 1093868626 /nfs/dbraw/zinc/86/86/26/1093868626.db2.gz OGACYEIDPQRLID-VSGJHWFKSA-N 2 1 373.544 4.443 20 30 FIEDMP C[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513128160 1093868631 /nfs/dbraw/zinc/86/86/31/1093868631.db2.gz OGACYEIDPQRLID-VSGJHWFKSA-N 2 1 373.544 4.443 20 30 FIEDMP C[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513128160 1093868638 /nfs/dbraw/zinc/86/86/38/1093868638.db2.gz OGACYEIDPQRLID-VSGJHWFKSA-N 2 1 373.544 4.443 20 30 FIEDMP CCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329409150 1094888877 /nfs/dbraw/zinc/88/88/77/1094888877.db2.gz BEQBXZHYOHHBPZ-SFHVURJKSA-N 2 1 372.557 4.324 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330345877 1095549382 /nfs/dbraw/zinc/54/93/82/1095549382.db2.gz FSRVTNYMJACFRM-JGJLBUBWSA-N 2 1 372.557 4.241 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330345877 1095549393 /nfs/dbraw/zinc/54/93/93/1095549393.db2.gz FSRVTNYMJACFRM-JGJLBUBWSA-N 2 1 372.557 4.241 20 30 FIEDMP N#Cc1csc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000536676710 1100168467 /nfs/dbraw/zinc/16/84/67/1100168467.db2.gz UGLYOJFLMBANFP-NRFANRHFSA-N 2 1 351.519 4.108 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408366 1101754631 /nfs/dbraw/zinc/75/46/31/1101754631.db2.gz WPSCZUAPILIBLA-HYFFOGBASA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408366 1101754640 /nfs/dbraw/zinc/75/46/40/1101754640.db2.gz WPSCZUAPILIBLA-HYFFOGBASA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507560919 1103502362 /nfs/dbraw/zinc/50/23/62/1103502362.db2.gz ACNHLHDJHIQHIB-RDABAPPSSA-N 2 1 353.554 4.492 20 30 FIEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193075743 1107868489 /nfs/dbraw/zinc/86/84/89/1107868489.db2.gz CGXBKSITOVRBBY-UHFFFAOYSA-N 2 1 372.516 4.413 20 30 FIEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193075743 1107868512 /nfs/dbraw/zinc/86/85/12/1107868512.db2.gz CGXBKSITOVRBBY-UHFFFAOYSA-N 2 1 372.516 4.413 20 30 FIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453297010 1108372837 /nfs/dbraw/zinc/37/28/37/1108372837.db2.gz VOFYXCGHMWNBIQ-VPSDZCSPSA-N 2 1 351.538 4.349 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000446845424 1109363490 /nfs/dbraw/zinc/36/34/90/1109363490.db2.gz ZYNPXKANFMHQAZ-UHFFFAOYSA-N 2 1 350.481 4.021 20 30 FIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000585726078 1110233086 /nfs/dbraw/zinc/23/30/86/1110233086.db2.gz YRZFWDXOXUDZCN-UHFFFAOYSA-N 2 1 351.469 4.230 20 30 FIEDMP C=CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000486488819 1113576589 /nfs/dbraw/zinc/57/65/89/1113576589.db2.gz MYQMABJXDOBSMI-KNQAVFIVSA-N 2 1 350.506 4.252 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280493 /nfs/dbraw/zinc/28/04/93/1115280493.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280497 /nfs/dbraw/zinc/28/04/97/1115280497.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280501 /nfs/dbraw/zinc/28/05/01/1115280501.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031378 1115280504 /nfs/dbraw/zinc/28/05/04/1115280504.db2.gz VBBWFLLNSAOQQB-LJQANCHMSA-N 2 1 353.535 4.191 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594942094 1115501585 /nfs/dbraw/zinc/50/15/85/1115501585.db2.gz WMOVSNUNDAPCIG-XXBNENTESA-N 2 1 359.517 4.384 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594942094 1115501589 /nfs/dbraw/zinc/50/15/89/1115501589.db2.gz WMOVSNUNDAPCIG-XXBNENTESA-N 2 1 359.517 4.384 20 30 FIEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995051 1115633916 /nfs/dbraw/zinc/63/39/16/1115633916.db2.gz FYUJTOFHCTYPCN-FPOVZHCZSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995051 1115633919 /nfs/dbraw/zinc/63/39/19/1115633919.db2.gz FYUJTOFHCTYPCN-FPOVZHCZSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995051 1115633921 /nfs/dbraw/zinc/63/39/21/1115633921.db2.gz FYUJTOFHCTYPCN-FPOVZHCZSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995051 1115633923 /nfs/dbraw/zinc/63/39/23/1115633923.db2.gz FYUJTOFHCTYPCN-FPOVZHCZSA-N 2 1 351.538 4.328 20 30 FIEDMP Fc1ccc(C#CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534965416 1116256033 /nfs/dbraw/zinc/25/60/33/1116256033.db2.gz UPHIPDGNYWQXKK-UHFFFAOYSA-N 2 1 362.492 4.165 20 30 FIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000763433462 1122919895 /nfs/dbraw/zinc/91/98/95/1122919895.db2.gz ROYBLHBEMXOYNL-IBGZPJMESA-N 2 1 355.526 4.065 20 30 FIEDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847451 1125157323 /nfs/dbraw/zinc/15/73/23/1125157323.db2.gz CZYFKHYIICQOSK-RTBURBONSA-N 2 1 351.494 4.150 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805614 1125284690 /nfs/dbraw/zinc/28/46/90/1125284690.db2.gz IWGRLOHWTZRJFL-PIATZUFCSA-N 2 1 357.501 4.331 20 30 FIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000375614531 1081178197 /nfs/dbraw/zinc/17/81/97/1081178197.db2.gz VVCHHXAUITYPAT-FQEVSTJZSA-N 2 1 361.574 4.063 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587482 1084882494 /nfs/dbraw/zinc/88/24/94/1084882494.db2.gz CZZLHUPBHJZUHZ-MQSCRBSSSA-N 2 1 363.480 4.088 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587482 1084882498 /nfs/dbraw/zinc/88/24/98/1084882498.db2.gz CZZLHUPBHJZUHZ-MQSCRBSSSA-N 2 1 363.480 4.088 20 30 FIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000651699307 1085387727 /nfs/dbraw/zinc/38/77/27/1085387727.db2.gz OVKXSMMSKUCMQW-TZIWHRDSSA-N 2 1 372.553 4.011 20 30 FIEDMP Fc1ccc(C#CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433173765 1093366776 /nfs/dbraw/zinc/36/67/76/1093366776.db2.gz HIFFXQSVNKUFBI-UHFFFAOYSA-N 2 1 362.492 4.165 20 30 FIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421320087 1095517898 /nfs/dbraw/zinc/51/78/98/1095517898.db2.gz AARYVFVGCNQSQS-KRWDZBQOSA-N 2 1 351.469 4.362 20 30 FIEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013855 1100018594 /nfs/dbraw/zinc/01/85/94/1100018594.db2.gz UKVJXCHJUHEGHO-RXVVDRJESA-N 2 1 354.494 4.297 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537407349 1101752923 /nfs/dbraw/zinc/75/29/23/1101752923.db2.gz OWCDEAZZHXTETK-QGZVFWFLSA-N 2 1 351.469 4.321 20 30 FIEDMP Cc1cccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000303885297 1107783869 /nfs/dbraw/zinc/78/38/69/1107783869.db2.gz JQVVFAXLIYUZOE-SFHVURJKSA-N 2 1 350.510 4.154 20 30 FIEDMP C=CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000486488825 1113576691 /nfs/dbraw/zinc/57/66/91/1113576691.db2.gz MYQMABJXDOBSMI-UGKGYDQZSA-N 2 1 350.506 4.252 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000489651168 1114144722 /nfs/dbraw/zinc/14/47/22/1114144722.db2.gz TYXJTYOVLSUOSB-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000594500663 1115451099 /nfs/dbraw/zinc/45/10/99/1115451099.db2.gz AREXNIJZCWSNJN-JOCHJYFZSA-N 2 1 361.533 4.142 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000595001510 1115506877 /nfs/dbraw/zinc/50/68/77/1115506877.db2.gz VSTHUXGGRFRSDR-NRFANRHFSA-N 2 1 363.480 4.089 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000595001510 1115506880 /nfs/dbraw/zinc/50/68/80/1115506880.db2.gz VSTHUXGGRFRSDR-NRFANRHFSA-N 2 1 363.480 4.089 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000152977223 1119642825 /nfs/dbraw/zinc/64/28/25/1119642825.db2.gz WNXHNRKEOUBWFC-AWEZNQCLSA-N 2 1 369.322 4.149 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000236692385 1120968618 /nfs/dbraw/zinc/96/86/18/1120968618.db2.gz UENGEUVXRSEQJB-UHFFFAOYSA-N 2 1 360.505 4.156 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000180539384 1124356428 /nfs/dbraw/zinc/35/64/28/1124356428.db2.gz HMPQKXNYOIUZHE-IAGOWNOFSA-N 2 1 360.461 4.495 20 30 FIEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000602514528 567989774 /nfs/dbraw/zinc/98/97/74/567989774.db2.gz KMWOGBANGXIZJM-WOJBJXKFSA-N 2 1 369.553 4.250 20 30 FIEDMP N#CC[C@H]1CCC[NH+](CC(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc2)C1 ZINC000602883750 568005070 /nfs/dbraw/zinc/00/50/70/568005070.db2.gz LZUDDCRLBCXESN-NHCUHLMSSA-N 2 1 364.537 4.022 20 30 FIEDMP N#CC[C@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc2)C1 ZINC000602883750 568005072 /nfs/dbraw/zinc/00/50/72/568005072.db2.gz LZUDDCRLBCXESN-NHCUHLMSSA-N 2 1 364.537 4.022 20 30 FIEDMP C=CCCCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001209439525 1080695286 /nfs/dbraw/zinc/69/52/86/1080695286.db2.gz RUKAQWSMYNRSFU-UHFFFAOYSA-N 2 1 358.574 4.377 20 30 FIEDMP C=CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001209439525 1080695296 /nfs/dbraw/zinc/69/52/96/1080695296.db2.gz RUKAQWSMYNRSFU-UHFFFAOYSA-N 2 1 358.574 4.377 20 30 FIEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC001648808569 1081113456 /nfs/dbraw/zinc/11/34/56/1081113456.db2.gz UUAJKDAOFVDMLX-IAGOWNOFSA-N 2 1 353.535 4.387 20 30 FIEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587938 1083445406 /nfs/dbraw/zinc/44/54/06/1083445406.db2.gz AYARJWAGTFGRLZ-RBBKRZOGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587938 1083445410 /nfs/dbraw/zinc/44/54/10/1083445410.db2.gz AYARJWAGTFGRLZ-RBBKRZOGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587938 1083445417 /nfs/dbraw/zinc/44/54/17/1083445417.db2.gz AYARJWAGTFGRLZ-RBBKRZOGSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587938 1083445423 /nfs/dbraw/zinc/44/54/23/1083445423.db2.gz AYARJWAGTFGRLZ-RBBKRZOGSA-N 2 1 369.553 4.456 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000582694890 1085397227 /nfs/dbraw/zinc/39/72/27/1085397227.db2.gz NFTVNCGYUCHLIB-VBKFSLOCSA-N 2 1 350.453 4.321 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000180539367 1087960768 /nfs/dbraw/zinc/96/07/68/1087960768.db2.gz HMPQKXNYOIUZHE-IRXDYDNUSA-N 2 1 360.461 4.495 20 30 FIEDMP C=CCOc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435060282 1089247638 /nfs/dbraw/zinc/24/76/38/1089247638.db2.gz SKAKLRYCALBAOC-UHFFFAOYSA-N 2 1 351.494 4.164 20 30 FIEDMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409441 1090704459 /nfs/dbraw/zinc/70/44/59/1090704459.db2.gz FRGLGAABSBWAMF-XXBNENTESA-N 2 1 363.505 4.152 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614163224 1093028647 /nfs/dbraw/zinc/02/86/47/1093028647.db2.gz VIVLDLDHTQRNBH-NRFANRHFSA-N 2 1 353.554 4.432 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614163224 1093028665 /nfs/dbraw/zinc/02/86/65/1093028665.db2.gz VIVLDLDHTQRNBH-NRFANRHFSA-N 2 1 353.554 4.432 20 30 FIEDMP C[C@H]1CC([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017488 1093150670 /nfs/dbraw/zinc/15/06/70/1093150670.db2.gz ARPHGACTKRXDHC-IRXDYDNUSA-N 2 1 351.469 4.229 20 30 FIEDMP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1ccnc1 ZINC000329196551 1094775714 /nfs/dbraw/zinc/77/57/14/1094775714.db2.gz TVTHFFFZTHWOJO-VQIMIIECSA-N 2 1 354.498 4.352 20 30 FIEDMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1ccnc1 ZINC000329196551 1094775726 /nfs/dbraw/zinc/77/57/26/1094775726.db2.gz TVTHFFFZTHWOJO-VQIMIIECSA-N 2 1 354.498 4.352 20 30 FIEDMP C[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000329499895 1094937639 /nfs/dbraw/zinc/93/76/39/1094937639.db2.gz YETWBZPBKIHDKY-SFHVURJKSA-N 2 1 372.557 4.324 20 30 FIEDMP C[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000329499895 1094937643 /nfs/dbraw/zinc/93/76/43/1094937643.db2.gz YETWBZPBKIHDKY-SFHVURJKSA-N 2 1 372.557 4.324 20 30 FIEDMP Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330351642 1095559668 /nfs/dbraw/zinc/55/96/68/1095559668.db2.gz MNNNHYALYCHPAG-QFHJOOASSA-N 2 1 372.557 4.241 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000330351642 1095559681 /nfs/dbraw/zinc/55/96/81/1095559681.db2.gz MNNNHYALYCHPAG-QFHJOOASSA-N 2 1 372.557 4.241 20 30 FIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533311575 1098947102 /nfs/dbraw/zinc/94/71/02/1098947102.db2.gz VZSQQANHNBILGF-QGZVFWFLSA-N 2 1 351.469 4.219 20 30 FIEDMP C[N@H+](CC#Cc1cccc(Cl)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703485 1100209086 /nfs/dbraw/zinc/20/90/86/1100209086.db2.gz PGPHYXQQWRXFGF-UHFFFAOYSA-N 2 1 367.924 4.325 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000174460178 1101395535 /nfs/dbraw/zinc/39/55/35/1101395535.db2.gz HDGPONCCCDKIOW-BLIXFSHQSA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000174460178 1101395556 /nfs/dbraw/zinc/39/55/56/1101395556.db2.gz HDGPONCCCDKIOW-BLIXFSHQSA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000237596806 1103098667 /nfs/dbraw/zinc/09/86/67/1103098667.db2.gz XCHQHPRVLSGOFB-IEBWSBKVSA-N 2 1 369.534 4.041 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237596806 1103098684 /nfs/dbraw/zinc/09/86/84/1103098684.db2.gz XCHQHPRVLSGOFB-IEBWSBKVSA-N 2 1 369.534 4.041 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000237595586 1103099955 /nfs/dbraw/zinc/09/99/55/1103099955.db2.gz XCHQHPRVLSGOFB-MJGOQNOKSA-N 2 1 369.534 4.041 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237595586 1103099963 /nfs/dbraw/zinc/09/99/63/1103099963.db2.gz XCHQHPRVLSGOFB-MJGOQNOKSA-N 2 1 369.534 4.041 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000440831712 1108940348 /nfs/dbraw/zinc/94/03/48/1108940348.db2.gz NLTUJDZXGKWNJJ-SFHVURJKSA-N 2 1 363.505 4.231 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367447 1115280123 /nfs/dbraw/zinc/28/01/23/1115280123.db2.gz VHMJHIKIGZUCEO-GGAORHGYSA-N 2 1 357.501 4.332 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367447 1115280127 /nfs/dbraw/zinc/28/01/27/1115280127.db2.gz VHMJHIKIGZUCEO-GGAORHGYSA-N 2 1 357.501 4.332 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594941808 1115501863 /nfs/dbraw/zinc/50/18/63/1115501863.db2.gz ARZDQYZPPOXRAH-KNQAVFIVSA-N 2 1 359.517 4.242 20 30 FIEDMP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168475363 1120435841 /nfs/dbraw/zinc/43/58/41/1120435841.db2.gz XWBMOKWUZPYOSF-RTFZILSDSA-N 2 1 365.496 4.400 20 30 FIEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000153706145 1121036606 /nfs/dbraw/zinc/03/66/06/1121036606.db2.gz JVZHDXNUDZNRRZ-INIZCTEOSA-N 2 1 363.436 4.183 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000763433466 1122919927 /nfs/dbraw/zinc/91/99/27/1122919927.db2.gz ROYBLHBEMXOYNL-LJQANCHMSA-N 2 1 355.526 4.065 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181441552 1124924487 /nfs/dbraw/zinc/92/44/87/1124924487.db2.gz ZVEOIGCBEPPNTK-OTWHNJEPSA-N 2 1 363.505 4.018 20 30 FIEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000602515987 567986611 /nfs/dbraw/zinc/98/66/11/567986611.db2.gz UUPYCGPNERJIQR-WOJBJXKFSA-N 2 1 369.553 4.107 20 30 FIEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000619755418 1125681059 /nfs/dbraw/zinc/68/10/59/1125681059.db2.gz IRNAEEPYDQWBNV-UHFFFAOYSA-N 2 1 353.897 4.008 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000152933398 1125693333 /nfs/dbraw/zinc/69/33/33/1125693333.db2.gz WYCZOYONUMUCKS-CQSZACIVSA-N 2 1 367.331 4.149 20 30 FIEDMP N#CC(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000472587590 1085069662 /nfs/dbraw/zinc/06/96/62/1085069662.db2.gz YUWTZITUOMUIDM-QFIPXVFZSA-N 2 1 373.544 4.304 20 30 FIEDMP C[C@H]1CC([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040376 1094504392 /nfs/dbraw/zinc/50/43/92/1094504392.db2.gz LUPSROXGFDBSBT-OALUTQOASA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@H]1CC([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040376 1094504399 /nfs/dbraw/zinc/50/43/99/1094504399.db2.gz LUPSROXGFDBSBT-OALUTQOASA-N 2 1 359.517 4.358 20 30 FIEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067289 1107151116 /nfs/dbraw/zinc/15/11/16/1107151116.db2.gz BZGVFEQXXRKPOV-QPPBQGQZSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067289 1107151125 /nfs/dbraw/zinc/15/11/25/1107151125.db2.gz BZGVFEQXXRKPOV-QPPBQGQZSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067289 1107151131 /nfs/dbraw/zinc/15/11/31/1107151131.db2.gz BZGVFEQXXRKPOV-QPPBQGQZSA-N 2 1 373.544 4.302 20 30 FIEDMP CCC[N@H+](CCCCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444663129 1108067907 /nfs/dbraw/zinc/06/79/07/1108067907.db2.gz XMBAXFAEPYPLAX-UHFFFAOYSA-N 2 1 371.573 4.494 20 30 FIEDMP CCC[N@@H+](CCCCC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444663129 1108067922 /nfs/dbraw/zinc/06/79/22/1108067922.db2.gz XMBAXFAEPYPLAX-UHFFFAOYSA-N 2 1 371.573 4.494 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000555104368 1112669763 /nfs/dbraw/zinc/66/97/63/1112669763.db2.gz IWUBVUZGTIBFHA-WMLDXEAASA-N 2 1 365.443 4.320 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000555104368 1112669764 /nfs/dbraw/zinc/66/97/64/1112669764.db2.gz IWUBVUZGTIBFHA-WMLDXEAASA-N 2 1 365.443 4.320 20 30 FIEDMP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000590649137 1114959016 /nfs/dbraw/zinc/95/90/16/1114959016.db2.gz YXPBVIDTOFDORQ-AVSSGJIKSA-N 2 1 351.538 4.349 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942704 1115501618 /nfs/dbraw/zinc/50/16/18/1115501618.db2.gz ZIZHRIZWGDSUDL-XXBNENTESA-N 2 1 359.517 4.242 20 30 FIEDMP N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963118 1116258564 /nfs/dbraw/zinc/25/85/64/1116258564.db2.gz RJAXJMVWVCCYNV-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1cc(F)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963118 1116258567 /nfs/dbraw/zinc/25/85/67/1116258567.db2.gz RJAXJMVWVCCYNV-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409439 1118637250 /nfs/dbraw/zinc/63/72/50/1118637250.db2.gz FRGLGAABSBWAMF-WMZHIEFXSA-N 2 1 363.505 4.152 20 30 FIEDMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409434 1118637294 /nfs/dbraw/zinc/63/72/94/1118637294.db2.gz FRGLGAABSBWAMF-AUSIDOKSSA-N 2 1 363.505 4.152 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000153058601 1119853812 /nfs/dbraw/zinc/85/38/12/1119853812.db2.gz IMZOKJIMGXTGOW-CQSZACIVSA-N 2 1 369.322 4.149 20 30 FIEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531550 1119982623 /nfs/dbraw/zinc/98/26/23/1119982623.db2.gz QHZUWSBOQHUPBA-NRFANRHFSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531550 1119982624 /nfs/dbraw/zinc/98/26/24/1119982624.db2.gz QHZUWSBOQHUPBA-NRFANRHFSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531550 1119982626 /nfs/dbraw/zinc/98/26/26/1119982626.db2.gz QHZUWSBOQHUPBA-NRFANRHFSA-N 2 1 361.533 4.160 20 30 FIEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191531550 1119982627 /nfs/dbraw/zinc/98/26/27/1119982627.db2.gz QHZUWSBOQHUPBA-NRFANRHFSA-N 2 1 361.533 4.160 20 30 FIEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000181737337 1125117561 /nfs/dbraw/zinc/11/75/61/1125117561.db2.gz QRKFXTUYXUZXGO-MRXNPFEDSA-N 2 1 368.550 4.140 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000375614537 1081177815 /nfs/dbraw/zinc/17/78/15/1081177815.db2.gz VVCHHXAUITYPAT-HXUWFJFHSA-N 2 1 361.574 4.063 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177686226 1081531264 /nfs/dbraw/zinc/53/12/64/1081531264.db2.gz RTYRAIIILNQFGW-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000432794935 1092393370 /nfs/dbraw/zinc/39/33/70/1092393370.db2.gz UZFTUGANBACRCX-QFIPXVFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000432794935 1092393385 /nfs/dbraw/zinc/39/33/85/1092393385.db2.gz UZFTUGANBACRCX-QFIPXVFZSA-N 2 1 363.505 4.053 20 30 FIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236666215 1092407737 /nfs/dbraw/zinc/40/77/37/1092407737.db2.gz AIFPHDIIJDAPKM-SFHVURJKSA-N 2 1 351.494 4.107 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797049 1092771321 /nfs/dbraw/zinc/77/13/21/1092771321.db2.gz UVRLHXXDNSVIPF-WLWJZTKJSA-N 2 1 365.443 4.370 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797049 1092771328 /nfs/dbraw/zinc/77/13/28/1092771328.db2.gz UVRLHXXDNSVIPF-WLWJZTKJSA-N 2 1 365.443 4.370 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797045 1092771814 /nfs/dbraw/zinc/77/18/14/1092771814.db2.gz UVRLHXXDNSVIPF-OPNNQBFTSA-N 2 1 365.443 4.370 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797045 1092771821 /nfs/dbraw/zinc/77/18/21/1092771821.db2.gz UVRLHXXDNSVIPF-OPNNQBFTSA-N 2 1 365.443 4.370 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000442864135 1092807322 /nfs/dbraw/zinc/80/73/22/1092807322.db2.gz BUEILFAPDGVHGA-XJDRTWLVSA-N 2 1 351.538 4.207 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512655816 1093090531 /nfs/dbraw/zinc/09/05/31/1093090531.db2.gz WRWOQUCAZGOWNL-FUHIMQAGSA-N 2 1 351.469 4.401 20 30 FIEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OC ZINC000532985401 1098655286 /nfs/dbraw/zinc/65/52/86/1098655286.db2.gz HKTRLNGZUJLDIL-FQEVSTJZSA-N 2 1 360.542 4.108 20 30 FIEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013856 1100018300 /nfs/dbraw/zinc/01/83/00/1100018300.db2.gz UKVJXCHJUHEGHO-WIYYLYMNSA-N 2 1 354.494 4.297 20 30 FIEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502144 1101248735 /nfs/dbraw/zinc/24/87/35/1101248735.db2.gz QQZOZFLIGXXMNL-ONTIZHBOSA-N 2 1 356.554 4.106 20 30 FIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000116367397 1102555955 /nfs/dbraw/zinc/55/59/55/1102555955.db2.gz OPEKOLAFWGQXPR-RBUKOAKNSA-N 2 1 363.505 4.293 20 30 FIEDMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000552280785 1111658131 /nfs/dbraw/zinc/65/81/31/1111658131.db2.gz SRDXQQOACOZEAG-SFTDATJTSA-N 2 1 354.494 4.033 20 30 FIEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000590653532 1114959963 /nfs/dbraw/zinc/95/99/63/1114959963.db2.gz BHVAXNARXMNJBQ-QGZVFWFLSA-N 2 1 367.924 4.397 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594916913 1115489068 /nfs/dbraw/zinc/48/90/68/1115489068.db2.gz CTSCAOLRIMPAEJ-JOCHJYFZSA-N 2 1 359.517 4.244 20 30 FIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000594921463 1115489502 /nfs/dbraw/zinc/48/95/02/1115489502.db2.gz KTRRSAINJOHJSJ-RXVVDRJESA-N 2 1 365.546 4.476 20 30 FIEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000594921463 1115489506 /nfs/dbraw/zinc/48/95/06/1115489506.db2.gz KTRRSAINJOHJSJ-RXVVDRJESA-N 2 1 365.546 4.476 20 30 FIEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594942090 1115501263 /nfs/dbraw/zinc/50/12/63/1115501263.db2.gz WMOVSNUNDAPCIG-AUSIDOKSSA-N 2 1 359.517 4.384 20 30 FIEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594942090 1115501266 /nfs/dbraw/zinc/50/12/66/1115501266.db2.gz WMOVSNUNDAPCIG-AUSIDOKSSA-N 2 1 359.517 4.384 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000609029982 1116141683 /nfs/dbraw/zinc/14/16/83/1116141683.db2.gz NYDWEBUCBZLPMQ-UHFFFAOYSA-N 2 1 372.516 4.155 20 30 FIEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000540146895 1117898121 /nfs/dbraw/zinc/89/81/21/1117898121.db2.gz ASOOOOGAEISYJZ-RDABAPPSSA-N 2 1 353.554 4.348 20 30 FIEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237820773 1124118703 /nfs/dbraw/zinc/11/87/03/1124118703.db2.gz UGVVDTUXKGYALD-UHFFFAOYSA-N 2 1 363.505 4.123 20 30 FIEDMP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)c1 ZINC000570298989 568473625 /nfs/dbraw/zinc/47/36/25/568473625.db2.gz BYVQRILCUBPFAB-YMPZKCBVSA-N 2 1 357.501 4.048 20 30 FIEDMP C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755812 1125681853 /nfs/dbraw/zinc/68/18/53/1125681853.db2.gz UOIBVSFJLZMPKH-UZLBHIALSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000619755812 1125681859 /nfs/dbraw/zinc/68/18/59/1125681859.db2.gz UOIBVSFJLZMPKH-UZLBHIALSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000619755812 1125681865 /nfs/dbraw/zinc/68/18/65/1125681865.db2.gz UOIBVSFJLZMPKH-UZLBHIALSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755812 1125681870 /nfs/dbraw/zinc/68/18/70/1125681870.db2.gz UOIBVSFJLZMPKH-UZLBHIALSA-N 2 1 353.897 4.354 20 30 FIEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695309 /nfs/dbraw/zinc/69/53/09/1080695309.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 2 1 371.569 4.131 20 30 FIEDMP C=CCCCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695314 /nfs/dbraw/zinc/69/53/14/1080695314.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 2 1 371.569 4.131 20 30 FIEDMP C=CCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695323 /nfs/dbraw/zinc/69/53/23/1080695323.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 2 1 371.569 4.131 20 30 FIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000580969439 1084496366 /nfs/dbraw/zinc/49/63/66/1084496366.db2.gz PBNZXHHKLSDUBY-QFWMQHCXSA-N 2 1 359.517 4.436 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000580969439 1084496374 /nfs/dbraw/zinc/49/63/74/1084496374.db2.gz PBNZXHHKLSDUBY-QFWMQHCXSA-N 2 1 359.517 4.436 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399827 /nfs/dbraw/zinc/39/98/27/1085399827.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399838 /nfs/dbraw/zinc/39/98/38/1085399838.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399848 /nfs/dbraw/zinc/39/98/48/1085399848.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693440 1085399860 /nfs/dbraw/zinc/39/98/60/1085399860.db2.gz ZTMZUNWGIRAMLZ-IEBWSBKVSA-N 2 1 353.535 4.443 20 30 FIEDMP C=CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000435058687 1089247853 /nfs/dbraw/zinc/24/78/53/1089247853.db2.gz NIFRESZTLYXBFP-UHFFFAOYSA-N 2 1 351.494 4.164 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428231597 1092283731 /nfs/dbraw/zinc/28/37/31/1092283731.db2.gz RWXYLSDWEGTWLV-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428231597 1092283741 /nfs/dbraw/zinc/28/37/41/1092283741.db2.gz RWXYLSDWEGTWLV-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428231597 1092283754 /nfs/dbraw/zinc/28/37/54/1092283754.db2.gz RWXYLSDWEGTWLV-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C=CCOc1ccccc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855713 1092984664 /nfs/dbraw/zinc/98/46/64/1092984664.db2.gz BOISHJDPQYXWMH-KNQAVFIVSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855713 1092984672 /nfs/dbraw/zinc/98/46/72/1092984672.db2.gz BOISHJDPQYXWMH-KNQAVFIVSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855713 1092984673 /nfs/dbraw/zinc/98/46/73/1092984673.db2.gz BOISHJDPQYXWMH-KNQAVFIVSA-N 2 1 350.506 4.252 20 30 FIEDMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635340 1093051278 /nfs/dbraw/zinc/05/12/78/1093051278.db2.gz GUHXSIKGRLDOQX-HOIFWPIMSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635340 1093051288 /nfs/dbraw/zinc/05/12/88/1093051288.db2.gz GUHXSIKGRLDOQX-HOIFWPIMSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635344 1093051391 /nfs/dbraw/zinc/05/13/91/1093051391.db2.gz GUHXSIKGRLDOQX-HYFFOGBASA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000512635344 1093051393 /nfs/dbraw/zinc/05/13/93/1093051393.db2.gz GUHXSIKGRLDOQX-HYFFOGBASA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614183077 1093081020 /nfs/dbraw/zinc/08/10/20/1093081020.db2.gz WLKRNJVRPKUVGQ-KNQAVFIVSA-N 2 1 361.533 4.488 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655814 1093089732 /nfs/dbraw/zinc/08/97/32/1093089732.db2.gz WRWOQUCAZGOWNL-ABSDTBQOSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659626 1093094989 /nfs/dbraw/zinc/09/49/89/1093094989.db2.gz ISXKQVLRUMWGFJ-WBVHZDCISA-N 2 1 357.498 4.322 20 30 FIEDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512668309 1093111502 /nfs/dbraw/zinc/11/15/02/1093111502.db2.gz UMKGHQYZVLMBOM-KRWDZBQOSA-N 2 1 369.484 4.269 20 30 FIEDMP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1ccnc1 ZINC000329196550 1094776375 /nfs/dbraw/zinc/77/63/75/1094776375.db2.gz TVTHFFFZTHWOJO-QFBILLFUSA-N 2 1 354.498 4.352 20 30 FIEDMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1n1ccnc1 ZINC000329196550 1094776383 /nfs/dbraw/zinc/77/63/83/1094776383.db2.gz TVTHFFFZTHWOJO-QFBILLFUSA-N 2 1 354.498 4.352 20 30 FIEDMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329375651 1094870836 /nfs/dbraw/zinc/87/08/36/1094870836.db2.gz NYXCAJYPXAYWED-IEBWSBKVSA-N 2 1 372.557 4.182 20 30 FIEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329375651 1094870856 /nfs/dbraw/zinc/87/08/56/1094870856.db2.gz NYXCAJYPXAYWED-IEBWSBKVSA-N 2 1 372.557 4.182 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335377 1095550192 /nfs/dbraw/zinc/55/01/92/1095550192.db2.gz SJTWDPJNMLDACB-QGZVFWFLSA-N 2 1 351.469 4.362 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000507612491 1103546566 /nfs/dbraw/zinc/54/65/66/1103546566.db2.gz CXGDZRFBDBNNID-OOMBGRCJSA-N 2 1 351.538 4.245 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000507612491 1103546571 /nfs/dbraw/zinc/54/65/71/1103546571.db2.gz CXGDZRFBDBNNID-OOMBGRCJSA-N 2 1 351.538 4.245 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482626965 1113313646 /nfs/dbraw/zinc/31/36/46/1113313646.db2.gz FNGFSHFPVRMTEF-SFHVURJKSA-N 2 1 354.416 4.203 20 30 FIEDMP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000573807369 1115183276 /nfs/dbraw/zinc/18/32/76/1115183276.db2.gz AVJQUVQJFMNRLJ-VXKWHMMOSA-N 2 1 365.546 4.217 20 30 FIEDMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000573807369 1115183280 /nfs/dbraw/zinc/18/32/80/1115183280.db2.gz AVJQUVQJFMNRLJ-VXKWHMMOSA-N 2 1 365.546 4.217 20 30 FIEDMP N#CC(CC[NH+]1CCC([NH+]2CCCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000191449321 1119977547 /nfs/dbraw/zinc/97/75/47/1119977547.db2.gz DXENWCHHCCMLFJ-UHFFFAOYSA-N 2 1 373.544 4.447 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415635 1120792076 /nfs/dbraw/zinc/79/20/76/1120792076.db2.gz SAJZEMHMJVNQQF-KUWBRRTOSA-N 2 1 359.517 4.436 20 30 FIEDMP C=CCc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc(OC)c1O ZINC000113329473 1121985104 /nfs/dbraw/zinc/98/51/04/1121985104.db2.gz NFZUZKXRFZRAAF-UHFFFAOYSA-N 2 1 368.521 4.259 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2ccccc2)[NH+]2CCCC2)c(O)c1 ZINC000920944090 1123540392 /nfs/dbraw/zinc/54/03/92/1123540392.db2.gz PHKHAKDAINUNQU-QYJRXKHCSA-N 2 1 365.521 4.494 20 30 FIEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000568375996 568035260 /nfs/dbraw/zinc/03/52/60/568035260.db2.gz YEEAARSPXKORAH-IBGZPJMESA-N 2 1 368.569 4.017 20 30 FIEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000568375996 568035261 /nfs/dbraw/zinc/03/52/61/568035261.db2.gz YEEAARSPXKORAH-IBGZPJMESA-N 2 1 368.569 4.017 20 30 FIEDMP C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755811 1125682067 /nfs/dbraw/zinc/68/20/67/1125682067.db2.gz UOIBVSFJLZMPKH-OXQOHEQNSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000619755811 1125682069 /nfs/dbraw/zinc/68/20/69/1125682069.db2.gz UOIBVSFJLZMPKH-OXQOHEQNSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000619755811 1125682071 /nfs/dbraw/zinc/68/20/71/1125682071.db2.gz UOIBVSFJLZMPKH-OXQOHEQNSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755811 1125682076 /nfs/dbraw/zinc/68/20/76/1125682076.db2.gz UOIBVSFJLZMPKH-OXQOHEQNSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755809 1125682374 /nfs/dbraw/zinc/68/23/74/1125682374.db2.gz UOIBVSFJLZMPKH-JXFKEZNVSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CCN1Cc1ccccc1 ZINC000619755809 1125682375 /nfs/dbraw/zinc/68/23/75/1125682375.db2.gz UOIBVSFJLZMPKH-JXFKEZNVSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000619755809 1125682377 /nfs/dbraw/zinc/68/23/77/1125682377.db2.gz UOIBVSFJLZMPKH-JXFKEZNVSA-N 2 1 353.897 4.354 20 30 FIEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000619755809 1125682378 /nfs/dbraw/zinc/68/23/78/1125682378.db2.gz UOIBVSFJLZMPKH-JXFKEZNVSA-N 2 1 353.897 4.354 20 30 FIEDMP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200488 1083546145 /nfs/dbraw/zinc/54/61/45/1083546145.db2.gz RFFBDLNTZKSWKA-HLAWJBBLSA-N 2 1 351.519 4.010 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588147 1084901858 /nfs/dbraw/zinc/90/18/58/1084901858.db2.gz VGAJDNHNHNKXFQ-YLJYHZDGSA-N 2 1 351.469 4.260 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588147 1084901860 /nfs/dbraw/zinc/90/18/60/1084901860.db2.gz VGAJDNHNHNKXFQ-YLJYHZDGSA-N 2 1 351.469 4.260 20 30 FIEDMP C[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000479461922 1085164327 /nfs/dbraw/zinc/16/43/27/1085164327.db2.gz ATHVRQYAWNAMMR-AXOLYNHLSA-N 2 1 369.406 4.153 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016636 1085249287 /nfs/dbraw/zinc/24/92/87/1085249287.db2.gz PMJSATYQLDNPGY-TZIWHRDSSA-N 2 1 355.526 4.065 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000093016636 1085249293 /nfs/dbraw/zinc/24/92/93/1085249293.db2.gz PMJSATYQLDNPGY-TZIWHRDSSA-N 2 1 355.526 4.065 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000180539403 1087960106 /nfs/dbraw/zinc/96/01/06/1087960106.db2.gz HMPQKXNYOIUZHE-DLBZAZTESA-N 2 1 360.461 4.495 20 30 FIEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000178583687 1092095350 /nfs/dbraw/zinc/09/53/50/1092095350.db2.gz BQXLDSCKVBPLLP-LPHOPBHVSA-N 2 1 356.539 4.175 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421320088 1095518282 /nfs/dbraw/zinc/51/82/82/1095518282.db2.gz AARYVFVGCNQSQS-QGZVFWFLSA-N 2 1 351.469 4.362 20 30 FIEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c(F)c1 ZINC000533311997 1098947240 /nfs/dbraw/zinc/94/72/40/1098947240.db2.gz UUZIKFSJWGKCBY-UHFFFAOYSA-N 2 1 351.469 4.363 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407807 1101754143 /nfs/dbraw/zinc/75/41/43/1101754143.db2.gz UWJSXZWBCCRFFD-LLGFUMIMSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407807 1101754152 /nfs/dbraw/zinc/75/41/52/1101754152.db2.gz UWJSXZWBCCRFFD-LLGFUMIMSA-N 2 1 351.469 4.401 20 30 FIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449162387 1109990042 /nfs/dbraw/zinc/99/00/42/1109990042.db2.gz RPISZPWYAWNYIB-UHFFFAOYSA-N 2 1 351.494 4.474 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482626963 1113313879 /nfs/dbraw/zinc/31/38/79/1113313879.db2.gz FNGFSHFPVRMTEF-GOSISDBHSA-N 2 1 354.416 4.203 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482632206 1113315796 /nfs/dbraw/zinc/31/57/96/1113315796.db2.gz UPHJDXRVOUSFMX-CTNGQTDRSA-N 2 1 360.517 4.491 20 30 FIEDMP N#Cc1cccc(C2(N[C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)c1 ZINC000592365902 1115283155 /nfs/dbraw/zinc/28/31/55/1115283155.db2.gz GZQRJFIPJAJTIQ-JOCHJYFZSA-N 2 1 357.501 4.334 20 30 FIEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594942091 1115501713 /nfs/dbraw/zinc/50/17/13/1115501713.db2.gz WMOVSNUNDAPCIG-CVDCTZTESA-N 2 1 359.517 4.384 20 30 FIEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594942091 1115501717 /nfs/dbraw/zinc/50/17/17/1115501717.db2.gz WMOVSNUNDAPCIG-CVDCTZTESA-N 2 1 359.517 4.384 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000609029968 1116141691 /nfs/dbraw/zinc/14/16/91/1116141691.db2.gz MIDMNFVNMCOJTG-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474316 1120395886 /nfs/dbraw/zinc/39/58/86/1120395886.db2.gz RJMRUJAAUNUPJX-NLSFWIRASA-N 2 1 365.496 4.400 20 30 FIEDMP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415636 1120792318 /nfs/dbraw/zinc/79/23/18/1120792318.db2.gz SAJZEMHMJVNQQF-OEOAZWSVSA-N 2 1 359.517 4.436 20 30 FIEDMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)[nH+]1 ZINC000481664532 568083756 /nfs/dbraw/zinc/08/37/56/568083756.db2.gz BSPYIASUZZBQKQ-JOCHJYFZSA-N 2 1 360.505 4.288 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000153000655 1125713223 /nfs/dbraw/zinc/71/32/23/1125713223.db2.gz YTCQLABFHFTPAU-INIZCTEOSA-N 2 1 352.469 4.239 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504925792 1087992397 /nfs/dbraw/zinc/99/23/97/1087992397.db2.gz FAKPOOMIZKLBLM-INIZCTEOSA-N 2 1 363.527 4.096 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000236685651 1090453534 /nfs/dbraw/zinc/45/35/34/1090453534.db2.gz HXBXUXGGVJTMBV-HXUWFJFHSA-N 2 1 368.546 4.152 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000236685651 1090453538 /nfs/dbraw/zinc/45/35/38/1090453538.db2.gz HXBXUXGGVJTMBV-HXUWFJFHSA-N 2 1 368.546 4.152 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614163245 1093032688 /nfs/dbraw/zinc/03/26/88/1093032688.db2.gz VIVLDLDHTQRNBH-OAQYLSRUSA-N 2 1 353.554 4.432 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614163245 1093032708 /nfs/dbraw/zinc/03/27/08/1093032708.db2.gz VIVLDLDHTQRNBH-OAQYLSRUSA-N 2 1 353.554 4.432 20 30 FIEDMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329217091 1094783039 /nfs/dbraw/zinc/78/30/39/1094783039.db2.gz POLCHRVKFZMCPU-OALUTQOASA-N 2 1 372.557 4.324 20 30 FIEDMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329217091 1094783051 /nfs/dbraw/zinc/78/30/51/1094783051.db2.gz POLCHRVKFZMCPU-OALUTQOASA-N 2 1 372.557 4.324 20 30 FIEDMP C[C@H]1C[C@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281938830 1095761966 /nfs/dbraw/zinc/76/19/66/1095761966.db2.gz IRPTVRYPGDDSEG-RBBKRZOGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000281938830 1095761980 /nfs/dbraw/zinc/76/19/80/1095761980.db2.gz IRPTVRYPGDDSEG-RBBKRZOGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938830 1095761994 /nfs/dbraw/zinc/76/19/94/1095761994.db2.gz IRPTVRYPGDDSEG-RBBKRZOGSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938830 1095762009 /nfs/dbraw/zinc/76/20/09/1095762009.db2.gz IRPTVRYPGDDSEG-RBBKRZOGSA-N 2 1 369.553 4.072 20 30 FIEDMP C=C(C)[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423053669 1096565945 /nfs/dbraw/zinc/56/59/45/1096565945.db2.gz SGDDFIWXPONZBT-BAGYTPMASA-N 2 1 370.443 4.428 20 30 FIEDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000532990070 1098671801 /nfs/dbraw/zinc/67/18/01/1098671801.db2.gz TVUYSHSSMNEGSG-QZTJIDSGSA-N 2 1 365.496 4.465 20 30 FIEDMP N#Cc1csc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000536676712 1100169031 /nfs/dbraw/zinc/16/90/31/1100169031.db2.gz UGLYOJFLMBANFP-OAQYLSRUSA-N 2 1 351.519 4.108 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000181810549 1101598801 /nfs/dbraw/zinc/59/88/01/1101598801.db2.gz JTHFBRZRUGDIOL-MDKPJZGXSA-N 2 1 369.534 4.384 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000181810549 1101598809 /nfs/dbraw/zinc/59/88/09/1101598809.db2.gz JTHFBRZRUGDIOL-MDKPJZGXSA-N 2 1 369.534 4.384 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000116367390 1102556250 /nfs/dbraw/zinc/55/62/50/1102556250.db2.gz OPEKOLAFWGQXPR-OALUTQOASA-N 2 1 363.505 4.293 20 30 FIEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444689012 1108090660 /nfs/dbraw/zinc/09/06/60/1108090660.db2.gz DXGYRPYJTRZGMI-QHCPKHFHSA-N 2 1 361.533 4.302 20 30 FIEDMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000555417775 1112831475 /nfs/dbraw/zinc/83/14/75/1112831475.db2.gz LIDQEOLIHCYTJP-CLAROIROSA-N 2 1 356.558 4.185 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594941810 1115501485 /nfs/dbraw/zinc/50/14/85/1115501485.db2.gz ARZDQYZPPOXRAH-SIKLNZKXSA-N 2 1 359.517 4.242 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000594999699 1115506650 /nfs/dbraw/zinc/50/66/50/1115506650.db2.gz GWAAIVJLPDWUNO-OAQYLSRUSA-N 2 1 363.480 4.089 20 30 FIEDMP CC1(C)C[N@H+](Cc2ccncc2C#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593648 1115600392 /nfs/dbraw/zinc/60/03/92/1115600392.db2.gz QSBIAVHXONGKDN-HSZRJFAPSA-N 2 1 374.532 4.076 20 30 FIEDMP CC1(C)C[N@@H+](Cc2ccncc2C#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593648 1115600393 /nfs/dbraw/zinc/60/03/93/1115600393.db2.gz QSBIAVHXONGKDN-HSZRJFAPSA-N 2 1 374.532 4.076 20 30 FIEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995052 1115634072 /nfs/dbraw/zinc/63/40/72/1115634072.db2.gz FYUJTOFHCTYPCN-PZJWPPBQSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995052 1115634075 /nfs/dbraw/zinc/63/40/75/1115634075.db2.gz FYUJTOFHCTYPCN-PZJWPPBQSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995052 1115634078 /nfs/dbraw/zinc/63/40/78/1115634078.db2.gz FYUJTOFHCTYPCN-PZJWPPBQSA-N 2 1 351.538 4.328 20 30 FIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995052 1115634080 /nfs/dbraw/zinc/63/40/80/1115634080.db2.gz FYUJTOFHCTYPCN-PZJWPPBQSA-N 2 1 351.538 4.328 20 30 FIEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000540146894 1117897844 /nfs/dbraw/zinc/89/78/44/1117897844.db2.gz ASOOOOGAEISYJZ-RBKXMNCYSA-N 2 1 353.554 4.348 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001649112425 1121892178 /nfs/dbraw/zinc/89/21/78/1121892178.db2.gz PEVYDXAMXMKZTM-UHFFFAOYSA-N 2 1 359.514 4.164 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173323 1123402725 /nfs/dbraw/zinc/40/27/25/1123402725.db2.gz CFXLRAKSZWHQDX-GBGMXLPASA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173323 1123402728 /nfs/dbraw/zinc/40/27/28/1123402728.db2.gz CFXLRAKSZWHQDX-GBGMXLPASA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2ccc(C)cc2)[NH+](C)C)c(O)c1 ZINC000921261451 1123605691 /nfs/dbraw/zinc/60/56/91/1123605691.db2.gz QAMJGRVYOGCRBU-VQYZLWMVSA-N 2 1 353.510 4.269 20 30 FIEDMP CC[N@@H+](CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1)CC(C)C ZINC000499599836 1125266348 /nfs/dbraw/zinc/26/63/48/1125266348.db2.gz INUIRJDBBUDEFY-UHFFFAOYSA-N 2 1 363.590 4.167 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805608 1125284632 /nfs/dbraw/zinc/28/46/32/1125284632.db2.gz IWGRLOHWTZRJFL-JTOYRKQZSA-N 2 1 357.501 4.331 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000152972016 1085291319 /nfs/dbraw/zinc/29/13/19/1085291319.db2.gz ROBUPQMKQNPGOO-SFHVURJKSA-N 2 1 357.542 4.157 20 30 FIEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176833 1093065384 /nfs/dbraw/zinc/06/53/84/1093065384.db2.gz MYDBPNCWZHHYDG-UHFFFAOYSA-N 2 1 371.569 4.058 20 30 FIEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000191504461 1093422714 /nfs/dbraw/zinc/42/27/14/1093422714.db2.gz NPFCVIBJOZNXJV-UHFFFAOYSA-N 2 1 363.427 4.228 20 30 FIEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000191504461 1093422717 /nfs/dbraw/zinc/42/27/17/1093422717.db2.gz NPFCVIBJOZNXJV-UHFFFAOYSA-N 2 1 363.427 4.228 20 30 FIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533311574 1098947693 /nfs/dbraw/zinc/94/76/93/1098947693.db2.gz VZSQQANHNBILGF-KRWDZBQOSA-N 2 1 351.469 4.219 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000246096631 1098988781 /nfs/dbraw/zinc/98/87/81/1098988781.db2.gz HDGPONCCCDKIOW-PLMTUMEDSA-N 2 1 369.534 4.212 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000246096631 1098988785 /nfs/dbraw/zinc/98/87/85/1098988785.db2.gz HDGPONCCCDKIOW-PLMTUMEDSA-N 2 1 369.534 4.212 20 30 FIEDMP N#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000536676784 1100168667 /nfs/dbraw/zinc/16/86/67/1100168667.db2.gz NVPOSHWOZNKMST-OAQYLSRUSA-N 2 1 351.519 4.108 20 30 FIEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000517349991 1100320165 /nfs/dbraw/zinc/32/01/65/1100320165.db2.gz VOHATVBYCCOZKR-UHFFFAOYSA-N 2 1 353.432 4.129 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000507642965 1103581600 /nfs/dbraw/zinc/58/16/00/1103581600.db2.gz FTGHLRISXWDPLV-UHFFFAOYSA-N 2 1 373.544 4.429 20 30 FIEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000507642965 1103581615 /nfs/dbraw/zinc/58/16/15/1103581615.db2.gz FTGHLRISXWDPLV-UHFFFAOYSA-N 2 1 373.544 4.429 20 30 FIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167988305 1103887537 /nfs/dbraw/zinc/88/75/37/1103887537.db2.gz WSRJZBHCRWODAN-QFIPXVFZSA-N 2 1 361.489 4.160 20 30 FIEDMP N#Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1F ZINC000536487956 1105167941 /nfs/dbraw/zinc/16/79/41/1105167941.db2.gz JMWZWRZRFCWPRA-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C[N@@H+]1CCCC12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000444681101 1108082424 /nfs/dbraw/zinc/08/24/24/1108082424.db2.gz SOAWJBCVQAQNRD-UHFFFAOYSA-N 2 1 373.544 4.447 20 30 FIEDMP C[N@H+]1CCCC12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000444681101 1108082439 /nfs/dbraw/zinc/08/24/39/1108082439.db2.gz SOAWJBCVQAQNRD-UHFFFAOYSA-N 2 1 373.544 4.447 20 30 FIEDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000440815673 1108917117 /nfs/dbraw/zinc/91/71/17/1108917117.db2.gz KGBHBTNYUBJVDI-GOSISDBHSA-N 2 1 363.505 4.231 20 30 FIEDMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000552280782 1111658105 /nfs/dbraw/zinc/65/81/05/1111658105.db2.gz SRDXQQOACOZEAG-LEWJYISDSA-N 2 1 354.494 4.033 20 30 FIEDMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280783 1111658354 /nfs/dbraw/zinc/65/83/54/1111658354.db2.gz SRDXQQOACOZEAG-NHCUHLMSSA-N 2 1 354.494 4.033 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482641164 1113318207 /nfs/dbraw/zinc/31/82/07/1113318207.db2.gz XZFAAZKSRRJRNW-GOSISDBHSA-N 2 1 367.306 4.206 20 30 FIEDMP N#Cc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534968245 1116256534 /nfs/dbraw/zinc/25/65/34/1116256534.db2.gz YPLISWKFGYNKRO-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708485 1118195718 /nfs/dbraw/zinc/19/57/18/1118195718.db2.gz XXXGNRIGJUKYBI-CVEARBPZSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708485 1118195721 /nfs/dbraw/zinc/19/57/21/1118195721.db2.gz XXXGNRIGJUKYBI-CVEARBPZSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495415633 1120792572 /nfs/dbraw/zinc/79/25/72/1120792572.db2.gz SAJZEMHMJVNQQF-ANJVHQHFSA-N 2 1 359.517 4.436 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131486693 1121595117 /nfs/dbraw/zinc/59/51/17/1121595117.db2.gz SKCGZWHCDZQMCM-ZDUSSCGKSA-N 2 1 355.295 4.279 20 30 FIEDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847432 1125157165 /nfs/dbraw/zinc/15/71/65/1125157165.db2.gz CZYFKHYIICQOSK-RBUKOAKNSA-N 2 1 351.494 4.150 20 30 FIEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000602515980 567986607 /nfs/dbraw/zinc/98/66/07/567986607.db2.gz UUPYCGPNERJIQR-PMACEKPBSA-N 2 1 369.553 4.107 20 30 FIEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587937 1083445913 /nfs/dbraw/zinc/44/59/13/1083445913.db2.gz AYARJWAGTFGRLZ-IFMALSPDSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587937 1083445917 /nfs/dbraw/zinc/44/59/17/1083445917.db2.gz AYARJWAGTFGRLZ-IFMALSPDSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587937 1083445921 /nfs/dbraw/zinc/44/59/21/1083445921.db2.gz AYARJWAGTFGRLZ-IFMALSPDSA-N 2 1 369.553 4.456 20 30 FIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092587937 1083445929 /nfs/dbraw/zinc/44/59/29/1083445929.db2.gz AYARJWAGTFGRLZ-IFMALSPDSA-N 2 1 369.553 4.456 20 30 FIEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000380761729 1084181876 /nfs/dbraw/zinc/18/18/76/1084181876.db2.gz PNQLFFAZYGDOIU-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066904938 1085764805 /nfs/dbraw/zinc/76/48/05/1085764805.db2.gz MPQICCGDCXWWPR-UHFFFAOYSA-N 2 1 363.505 4.101 20 30 FIEDMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635346 1093050668 /nfs/dbraw/zinc/05/06/68/1093050668.db2.gz GUHXSIKGRLDOQX-PNLZDCPESA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512635346 1093050676 /nfs/dbraw/zinc/05/06/76/1093050676.db2.gz GUHXSIKGRLDOQX-PNLZDCPESA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512655820 1093090379 /nfs/dbraw/zinc/09/03/79/1093090379.db2.gz WRWOQUCAZGOWNL-ZWOKBUDYSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@@H]1CC([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023494 1093354495 /nfs/dbraw/zinc/35/44/95/1093354495.db2.gz XBLFDBUQCPOTOM-IAGOWNOFSA-N 2 1 351.469 4.229 20 30 FIEDMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329375652 1094871284 /nfs/dbraw/zinc/87/12/84/1094871284.db2.gz NYXCAJYPXAYWED-MJGOQNOKSA-N 2 1 372.557 4.182 20 30 FIEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329375652 1094871304 /nfs/dbraw/zinc/87/13/04/1094871304.db2.gz NYXCAJYPXAYWED-MJGOQNOKSA-N 2 1 372.557 4.182 20 30 FIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C1 ZINC000421331344 1095529213 /nfs/dbraw/zinc/52/92/13/1095529213.db2.gz JNZDSKJVUSZXFV-QGZVFWFLSA-N 2 1 351.469 4.219 20 30 FIEDMP CC[NH+](CC)Cc1ccccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211988648 1098972226 /nfs/dbraw/zinc/97/22/26/1098972226.db2.gz BBUGKQDTXFGYSW-UHFFFAOYSA-N 2 1 354.523 4.193 20 30 FIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000067450064 1105173052 /nfs/dbraw/zinc/17/30/52/1105173052.db2.gz WZNDAHFXMFKIOY-UHFFFAOYSA-N 2 1 364.537 4.166 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482632209 1113315636 /nfs/dbraw/zinc/31/56/36/1113315636.db2.gz UPHJDXRVOUSFMX-TZIWHRDSSA-N 2 1 360.517 4.491 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1Cl ZINC000592366554 1115219393 /nfs/dbraw/zinc/21/93/93/1115219393.db2.gz AUMKHPZKBIXLTR-HXUWFJFHSA-N 2 1 365.908 4.498 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1Cl ZINC000592366554 1115219395 /nfs/dbraw/zinc/21/93/95/1115219395.db2.gz AUMKHPZKBIXLTR-HXUWFJFHSA-N 2 1 365.908 4.498 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367448 1115279758 /nfs/dbraw/zinc/27/97/58/1115279758.db2.gz VHMJHIKIGZUCEO-GMAHTHKFSA-N 2 1 357.501 4.332 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367448 1115279759 /nfs/dbraw/zinc/27/97/59/1115279759.db2.gz VHMJHIKIGZUCEO-GMAHTHKFSA-N 2 1 357.501 4.332 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594941812 1115501680 /nfs/dbraw/zinc/50/16/80/1115501680.db2.gz ARZDQYZPPOXRAH-UGKGYDQZSA-N 2 1 359.517 4.242 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000595001511 1115506690 /nfs/dbraw/zinc/50/66/90/1115506690.db2.gz VSTHUXGGRFRSDR-OAQYLSRUSA-N 2 1 363.480 4.089 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(F)c1 ZINC000595001511 1115506691 /nfs/dbraw/zinc/50/66/91/1115506691.db2.gz VSTHUXGGRFRSDR-OAQYLSRUSA-N 2 1 363.480 4.089 20 30 FIEDMP CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591751 1115599928 /nfs/dbraw/zinc/59/99/28/1115599928.db2.gz LNONTTWQMNKGQP-KSEOMHKRSA-N 2 1 351.538 4.301 20 30 FIEDMP CC1(C)C[N@@H+](CCCSCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593121 1115600693 /nfs/dbraw/zinc/60/06/93/1115600693.db2.gz AEROSALNXWPJOQ-NRFANRHFSA-N 2 1 371.594 4.256 20 30 FIEDMP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000597014984 1115636236 /nfs/dbraw/zinc/63/62/36/1115636236.db2.gz IBEZPNZVFXQTQM-JOCHJYFZSA-N 2 1 359.517 4.196 20 30 FIEDMP C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597014984 1115636237 /nfs/dbraw/zinc/63/62/37/1115636237.db2.gz IBEZPNZVFXQTQM-JOCHJYFZSA-N 2 1 359.517 4.196 20 30 FIEDMP C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597014984 1115636239 /nfs/dbraw/zinc/63/62/39/1115636239.db2.gz IBEZPNZVFXQTQM-JOCHJYFZSA-N 2 1 359.517 4.196 20 30 FIEDMP N#CC1(c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)CC1 ZINC000597116960 1115641894 /nfs/dbraw/zinc/64/18/94/1115641894.db2.gz SOHLYHBKDJJKOM-UHFFFAOYSA-N 2 1 360.505 4.154 20 30 FIEDMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599611313 1115831620 /nfs/dbraw/zinc/83/16/20/1115831620.db2.gz ZDVJFASVMQWFQR-DRGMGAIOSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599611313 1115831621 /nfs/dbraw/zinc/83/16/21/1115831621.db2.gz ZDVJFASVMQWFQR-DRGMGAIOSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599611313 1115831622 /nfs/dbraw/zinc/83/16/22/1115831622.db2.gz ZDVJFASVMQWFQR-DRGMGAIOSA-N 2 1 356.558 4.041 20 30 FIEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000534228565 1116170843 /nfs/dbraw/zinc/17/08/43/1116170843.db2.gz YFZVSEFLDNYKAM-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236690436 1120968656 /nfs/dbraw/zinc/96/86/56/1120968656.db2.gz HSAPDLRORWWPFF-UHFFFAOYSA-N 2 1 367.320 4.399 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCC(C)C)c2)CC1 ZINC000237322098 1120975938 /nfs/dbraw/zinc/97/59/38/1120975938.db2.gz RSQAGLXVHOBSEJ-UHFFFAOYSA-N 2 1 360.542 4.250 20 30 FIEDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000154329230 1122241492 /nfs/dbraw/zinc/24/14/92/1122241492.db2.gz ZZXNNPIGTOPHOY-QGZVFWFLSA-N 2 1 351.469 4.055 20 30 FIEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237585537 1123989851 /nfs/dbraw/zinc/98/98/51/1123989851.db2.gz QLGFPZPQCQCMSW-GOSISDBHSA-N 2 1 374.488 4.068 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000112374194 1124986267 /nfs/dbraw/zinc/98/62/67/1124986267.db2.gz HMLXNWRFJFPVLD-UHFFFAOYSA-N 2 1 351.494 4.312 20 30 FIEDMP C[NH+](CCCCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000077250863 1125157057 /nfs/dbraw/zinc/15/70/57/1125157057.db2.gz JDWBPRRGDCMXLX-UHFFFAOYSA-N 2 1 360.505 4.164 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246571994 1081756515 /nfs/dbraw/zinc/75/65/15/1081756515.db2.gz SPIHSVQJMPMUCF-JQVVWYNYSA-N 2 1 363.505 4.120 20 30 FIEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000448048382 1086491337 /nfs/dbraw/zinc/49/13/37/1086491337.db2.gz KJLOOWFHZAIKSV-HSZRJFAPSA-N 2 1 350.506 4.316 20 30 FIEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201685 1087217474 /nfs/dbraw/zinc/21/74/74/1087217474.db2.gz GHJDPTDNOWERLR-MRXNPFEDSA-N 2 1 353.432 4.035 20 30 FIEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000584201685 1087217478 /nfs/dbraw/zinc/21/74/78/1087217478.db2.gz GHJDPTDNOWERLR-MRXNPFEDSA-N 2 1 353.432 4.035 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000728712133 1089802126 /nfs/dbraw/zinc/80/21/26/1089802126.db2.gz VBTUNLBLLUTDRX-SFHVURJKSA-N 2 1 355.526 4.112 20 30 FIEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000432790744 1092378572 /nfs/dbraw/zinc/37/85/72/1092378572.db2.gz XWTZWUHSEKGLML-QFIPXVFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000432790744 1092378582 /nfs/dbraw/zinc/37/85/82/1092378582.db2.gz XWTZWUHSEKGLML-QFIPXVFZSA-N 2 1 363.505 4.053 20 30 FIEDMP C=CCOc1ccccc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855716 1092984839 /nfs/dbraw/zinc/98/48/39/1092984839.db2.gz BOISHJDPQYXWMH-UGKGYDQZSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855716 1092984841 /nfs/dbraw/zinc/98/48/41/1092984841.db2.gz BOISHJDPQYXWMH-UGKGYDQZSA-N 2 1 350.506 4.252 20 30 FIEDMP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388855716 1092984845 /nfs/dbraw/zinc/98/48/45/1092984845.db2.gz BOISHJDPQYXWMH-UGKGYDQZSA-N 2 1 350.506 4.252 20 30 FIEDMP Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512643075 1093056632 /nfs/dbraw/zinc/05/66/32/1093056632.db2.gz VKMMRNSQEYJHHU-CYBMUJFWSA-N 2 1 352.388 4.181 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659624 1093095797 /nfs/dbraw/zinc/09/57/97/1093095797.db2.gz ISXKQVLRUMWGFJ-NVXWUHKLSA-N 2 1 357.498 4.322 20 30 FIEDMP N#Cc1c(F)cccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433129612 1093306339 /nfs/dbraw/zinc/30/63/39/1093306339.db2.gz OCFYPIUCXJIQAC-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1c(F)cccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433129612 1093306351 /nfs/dbraw/zinc/30/63/51/1093306351.db2.gz OCFYPIUCXJIQAC-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330345876 1095550040 /nfs/dbraw/zinc/55/00/40/1095550040.db2.gz FSRVTNYMJACFRM-DHRZBBNESA-N 2 1 372.557 4.241 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000330345876 1095550053 /nfs/dbraw/zinc/55/00/53/1095550053.db2.gz FSRVTNYMJACFRM-DHRZBBNESA-N 2 1 372.557 4.241 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631783 1101595674 /nfs/dbraw/zinc/59/56/74/1101595674.db2.gz VRRXRSOHNILPKP-QZTJIDSGSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631783 1101595682 /nfs/dbraw/zinc/59/56/82/1101595682.db2.gz VRRXRSOHNILPKP-QZTJIDSGSA-N 2 1 369.534 4.213 20 30 FIEDMP N#Cc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995865 1104575212 /nfs/dbraw/zinc/57/52/12/1104575212.db2.gz SWRHTJHZRIQQHG-VSGJHWFKSA-N 2 1 363.549 4.218 20 30 FIEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000305748562 1107903366 /nfs/dbraw/zinc/90/33/66/1107903366.db2.gz VQXIJNFWURPRJS-UHFFFAOYSA-N 2 1 368.525 4.039 20 30 FIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000305748562 1107903370 /nfs/dbraw/zinc/90/33/70/1107903370.db2.gz VQXIJNFWURPRJS-UHFFFAOYSA-N 2 1 368.525 4.039 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1C#N ZINC000174270630 1116125493 /nfs/dbraw/zinc/12/54/93/1116125493.db2.gz LXSULPDZNXMSIW-SFHVURJKSA-N 2 1 363.505 4.231 20 30 FIEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000541534575 1118553308 /nfs/dbraw/zinc/55/33/08/1118553308.db2.gz UADIALSERPZLPB-UHFFFAOYSA-N 2 1 359.477 4.106 20 30 FIEDMP C[C@H](Cc1cccc(F)c1)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168475360 1120435972 /nfs/dbraw/zinc/43/59/72/1120435972.db2.gz XWBMOKWUZPYOSF-NLSFWIRASA-N 2 1 365.496 4.400 20 30 FIEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737094 1124807297 /nfs/dbraw/zinc/80/72/97/1124807297.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737094 1124807305 /nfs/dbraw/zinc/80/73/05/1124807305.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737094 1124807312 /nfs/dbraw/zinc/80/73/12/1124807312.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+](CCCCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000077250874 1125158788 /nfs/dbraw/zinc/15/87/88/1125158788.db2.gz FTENLZRZAOQUGH-UHFFFAOYSA-N 2 1 360.505 4.164 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)CC1 ZINC000182870248 1125665034 /nfs/dbraw/zinc/66/50/34/1125665034.db2.gz IRBJKBFDQXGFLK-IBGZPJMESA-N 3 1 373.585 4.228 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000237410964 1085442076 /nfs/dbraw/zinc/44/20/76/1085442076.db2.gz WCQNSKFLWOEIJF-HXUWFJFHSA-N 2 1 362.517 4.404 20 30 FIEDMP COc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839815 /nfs/dbraw/zinc/83/98/15/1092839815.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 1 363.505 4.052 20 30 FIEDMP COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885731 1092839819 /nfs/dbraw/zinc/83/98/19/1092839819.db2.gz OCUQFOUBZVUDKZ-GCJKJVERSA-N 2 1 363.505 4.052 20 30 FIEDMP C[C@H]1CC([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168023498 1093361641 /nfs/dbraw/zinc/36/16/41/1093361641.db2.gz XBLFDBUQCPOTOM-IRXDYDNUSA-N 2 1 351.469 4.229 20 30 FIEDMP C[C@@H]1CC(NC(=[NH2+])c2ccc3ccccc3n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024366 1093389781 /nfs/dbraw/zinc/38/97/81/1093389781.db2.gz FRUQFNPRLATZER-HTZLVSCSSA-N 2 1 372.516 4.382 20 30 FIEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000513499202 1094172966 /nfs/dbraw/zinc/17/29/66/1094172966.db2.gz DWXHYZNJOJIAIC-XLIONFOSSA-N 2 1 351.469 4.088 20 30 FIEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000329849802 1095292226 /nfs/dbraw/zinc/29/22/26/1095292226.db2.gz ZKOMZEYYKMTGNS-OAQYLSRUSA-N 2 1 368.525 4.136 20 30 FIEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000329849802 1095292237 /nfs/dbraw/zinc/29/22/37/1095292237.db2.gz ZKOMZEYYKMTGNS-OAQYLSRUSA-N 2 1 368.525 4.136 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631725 1101595290 /nfs/dbraw/zinc/59/52/90/1101595290.db2.gz VRRXRSOHNILPKP-ROUUACIJSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631725 1101595302 /nfs/dbraw/zinc/59/53/02/1101595302.db2.gz VRRXRSOHNILPKP-ROUUACIJSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407806 1101754704 /nfs/dbraw/zinc/75/47/04/1101754704.db2.gz UWJSXZWBCCRFFD-FIKGOQFSSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407806 1101754713 /nfs/dbraw/zinc/75/47/13/1101754713.db2.gz UWJSXZWBCCRFFD-FIKGOQFSSA-N 2 1 351.469 4.401 20 30 FIEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000531415830 1107853500 /nfs/dbraw/zinc/85/35/00/1107853500.db2.gz QGCAOCDJOWJWMM-UHFFFAOYSA-N 2 1 352.444 4.109 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449126068 1109981395 /nfs/dbraw/zinc/98/13/95/1109981395.db2.gz UKGWYLIJPKSYMW-UHFFFAOYSA-N 2 1 374.326 4.127 20 30 FIEDMP C[N@H+](CC#Cc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946487 1111355301 /nfs/dbraw/zinc/35/53/01/1111355301.db2.gz REGBDJNFKKRINC-UHFFFAOYSA-N 2 1 367.924 4.325 20 30 FIEDMP C[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000573807372 1115183347 /nfs/dbraw/zinc/18/33/47/1115183347.db2.gz AVJQUVQJFMNRLJ-YADHBBJMSA-N 2 1 365.546 4.217 20 30 FIEDMP C[N@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000573807372 1115183350 /nfs/dbraw/zinc/18/33/50/1115183350.db2.gz AVJQUVQJFMNRLJ-YADHBBJMSA-N 2 1 365.546 4.217 20 30 FIEDMP N#Cc1ccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCC2)cc1 ZINC000594512921 1115456482 /nfs/dbraw/zinc/45/64/82/1115456482.db2.gz FJNCRLHFPVWPPL-UHFFFAOYSA-N 2 1 359.517 4.234 20 30 FIEDMP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595000094 1115506701 /nfs/dbraw/zinc/50/67/01/1115506701.db2.gz IOPKZZHXBGLCQK-ITAUSPCMSA-N 2 1 351.538 4.351 20 30 FIEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504433 1115539640 /nfs/dbraw/zinc/53/96/40/1115539640.db2.gz JDIUJSORJOPHDE-DEOSSOPVSA-N 2 1 373.544 4.304 20 30 FIEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504433 1115539641 /nfs/dbraw/zinc/53/96/41/1115539641.db2.gz JDIUJSORJOPHDE-DEOSSOPVSA-N 2 1 373.544 4.304 20 30 FIEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504433 1115539644 /nfs/dbraw/zinc/53/96/44/1115539644.db2.gz JDIUJSORJOPHDE-DEOSSOPVSA-N 2 1 373.544 4.304 20 30 FIEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504433 1115539646 /nfs/dbraw/zinc/53/96/46/1115539646.db2.gz JDIUJSORJOPHDE-DEOSSOPVSA-N 2 1 373.544 4.304 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1C#N ZINC000174272105 1116125602 /nfs/dbraw/zinc/12/56/02/1116125602.db2.gz FNJZDXPVUGIGDB-SFHVURJKSA-N 2 1 363.505 4.231 20 30 FIEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233742 1122750717 /nfs/dbraw/zinc/75/07/17/1122750717.db2.gz QJZFRMYOQNLWDY-PKTZIBPZSA-N 2 1 368.565 4.250 20 30 FIEDMP N#Cc1ccc(F)cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312575279 1125414354 /nfs/dbraw/zinc/41/43/54/1125414354.db2.gz VJAHXJZVTLXCLZ-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1ccc(F)cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312575279 1125414355 /nfs/dbraw/zinc/41/43/55/1125414355.db2.gz VJAHXJZVTLXCLZ-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000619755821 1125682303 /nfs/dbraw/zinc/68/23/03/1125682303.db2.gz UYWDTEIDJUTTTF-MZADTFQBSA-N 2 1 365.908 4.497 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1Cl ZINC000619755821 1125682308 /nfs/dbraw/zinc/68/23/08/1125682308.db2.gz UYWDTEIDJUTTTF-MZADTFQBSA-N 2 1 365.908 4.497 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000537159360 1082012141 /nfs/dbraw/zinc/01/21/41/1082012141.db2.gz PGBJPELFWKYNFR-QGZVFWFLSA-N 2 1 360.461 4.172 20 30 FIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000580969436 1082261525 /nfs/dbraw/zinc/26/15/25/1082261525.db2.gz PBNZXHHKLSDUBY-PUZWTLIVSA-N 2 1 359.517 4.436 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000580969436 1082261528 /nfs/dbraw/zinc/26/15/28/1082261528.db2.gz PBNZXHHKLSDUBY-PUZWTLIVSA-N 2 1 359.517 4.436 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000092587697 1083446067 /nfs/dbraw/zinc/44/60/67/1083446067.db2.gz XTXCQICLCYMPRO-QFIPXVFZSA-N 2 1 369.553 4.313 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000092587697 1083446075 /nfs/dbraw/zinc/44/60/75/1083446075.db2.gz XTXCQICLCYMPRO-QFIPXVFZSA-N 2 1 369.553 4.313 20 30 FIEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905870 1085804318 /nfs/dbraw/zinc/80/43/18/1085804318.db2.gz NWRKYKDIXJXWLD-SFHVURJKSA-N 2 1 374.488 4.068 20 30 FIEDMP C=CCOc1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435061652 1089251981 /nfs/dbraw/zinc/25/19/81/1089251981.db2.gz RLYYNEYYGGPNBN-UHFFFAOYSA-N 2 1 351.494 4.164 20 30 FIEDMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409437 1090705013 /nfs/dbraw/zinc/70/50/13/1090705013.db2.gz FRGLGAABSBWAMF-CVDCTZTESA-N 2 1 363.505 4.152 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614183070 1093080722 /nfs/dbraw/zinc/08/07/22/1093080722.db2.gz WLKRNJVRPKUVGQ-DENIHFKCSA-N 2 1 361.533 4.488 20 30 FIEDMP C[C@@H]1CC([NH2+]Cc2ccc(F)c(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017486 1093151070 /nfs/dbraw/zinc/15/10/70/1093151070.db2.gz ARPHGACTKRXDHC-IAGOWNOFSA-N 2 1 351.469 4.229 20 30 FIEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000329849801 1095292794 /nfs/dbraw/zinc/29/27/94/1095292794.db2.gz ZKOMZEYYKMTGNS-NRFANRHFSA-N 2 1 368.525 4.136 20 30 FIEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000329849801 1095292808 /nfs/dbraw/zinc/29/28/08/1095292808.db2.gz ZKOMZEYYKMTGNS-NRFANRHFSA-N 2 1 368.525 4.136 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000421869439 1095981049 /nfs/dbraw/zinc/98/10/49/1095981049.db2.gz DTATXJXFZPIOLK-NJDAHSKKSA-N 2 1 351.519 4.153 20 30 FIEDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000532990071 1098671444 /nfs/dbraw/zinc/67/14/44/1098671444.db2.gz TVUYSHSSMNEGSG-ROUUACIJSA-N 2 1 365.496 4.465 20 30 FIEDMP C[N@H+](CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000516119867 1099200457 /nfs/dbraw/zinc/20/04/57/1099200457.db2.gz ZXMKJCLBFBSHFJ-UHFFFAOYSA-N 2 1 361.411 4.189 20 30 FIEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000516119867 1099200469 /nfs/dbraw/zinc/20/04/69/1099200469.db2.gz ZXMKJCLBFBSHFJ-UHFFFAOYSA-N 2 1 361.411 4.189 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408365 1101754239 /nfs/dbraw/zinc/75/42/39/1101754239.db2.gz WPSCZUAPILIBLA-HOIFWPIMSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408365 1101754245 /nfs/dbraw/zinc/75/42/45/1101754245.db2.gz WPSCZUAPILIBLA-HOIFWPIMSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407809 1101754404 /nfs/dbraw/zinc/75/44/04/1101754404.db2.gz UWJSXZWBCCRFFD-XGHQBKJUSA-N 2 1 351.469 4.401 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537407809 1101754414 /nfs/dbraw/zinc/75/44/14/1101754414.db2.gz UWJSXZWBCCRFFD-XGHQBKJUSA-N 2 1 351.469 4.401 20 30 FIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167988302 1103887670 /nfs/dbraw/zinc/88/76/70/1103887670.db2.gz WSRJZBHCRWODAN-JOCHJYFZSA-N 2 1 361.489 4.160 20 30 FIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccs1 ZINC000262510010 1107438468 /nfs/dbraw/zinc/43/84/68/1107438468.db2.gz CUOZJVURGHFUNI-YLJYHZDGSA-N 2 1 368.550 4.047 20 30 FIEDMP C[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000479461923 1112033549 /nfs/dbraw/zinc/03/35/49/1112033549.db2.gz ATHVRQYAWNAMMR-CDEQTRAXSA-N 2 1 369.406 4.153 20 30 FIEDMP CC[N@@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000555417777 1112832679 /nfs/dbraw/zinc/83/26/79/1112832679.db2.gz LIDQEOLIHCYTJP-MYGLTJDJSA-N 2 1 356.558 4.185 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482632208 1113315831 /nfs/dbraw/zinc/31/58/31/1113315831.db2.gz UPHJDXRVOUSFMX-PZJWPPBQSA-N 2 1 360.517 4.491 20 30 FIEDMP C[N@@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000573807365 1115183433 /nfs/dbraw/zinc/18/34/33/1115183433.db2.gz AVJQUVQJFMNRLJ-FCHUYYIVSA-N 2 1 365.546 4.217 20 30 FIEDMP C[N@H+]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000573807365 1115183434 /nfs/dbraw/zinc/18/34/34/1115183434.db2.gz AVJQUVQJFMNRLJ-FCHUYYIVSA-N 2 1 365.546 4.217 20 30 FIEDMP CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591749 1115600067 /nfs/dbraw/zinc/60/00/67/1115600067.db2.gz LNONTTWQMNKGQP-CEMLEFRQSA-N 2 1 351.538 4.301 20 30 FIEDMP CC1(C)C[N@@H+](CCCSCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593128 1115600804 /nfs/dbraw/zinc/60/08/04/1115600804.db2.gz AEROSALNXWPJOQ-OAQYLSRUSA-N 2 1 371.594 4.256 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000174271961 1116125574 /nfs/dbraw/zinc/12/55/74/1116125574.db2.gz WHUCJYDKVGSVRC-GOSISDBHSA-N 2 1 363.505 4.089 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708487 1118196159 /nfs/dbraw/zinc/19/61/59/1118196159.db2.gz XXXGNRIGJUKYBI-HZPDHXFCSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708487 1118196162 /nfs/dbraw/zinc/19/61/62/1118196162.db2.gz XXXGNRIGJUKYBI-HZPDHXFCSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435682 1120809341 /nfs/dbraw/zinc/80/93/41/1120809341.db2.gz ZDABGQVBKLPEGA-XGHQBKJUSA-N 2 1 351.469 4.259 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132904506 1123379639 /nfs/dbraw/zinc/37/96/39/1123379639.db2.gz BHOXZDZALAIPJL-SFHVURJKSA-N 2 1 353.432 4.108 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173325 1123402862 /nfs/dbraw/zinc/40/28/62/1123402862.db2.gz CFXLRAKSZWHQDX-MMEOWQQISA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173325 1123402864 /nfs/dbraw/zinc/40/28/64/1123402864.db2.gz CFXLRAKSZWHQDX-MMEOWQQISA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173322 1123402926 /nfs/dbraw/zinc/40/29/26/1123402926.db2.gz CFXLRAKSZWHQDX-ARKTWFBQSA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173322 1123402928 /nfs/dbraw/zinc/40/29/28/1123402928.db2.gz CFXLRAKSZWHQDX-ARKTWFBQSA-N 2 1 365.521 4.493 20 30 FIEDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000181847413 1125157118 /nfs/dbraw/zinc/15/71/18/1125157118.db2.gz CZYFKHYIICQOSK-MOPGFXCFSA-N 2 1 351.494 4.150 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000618805610 1125284824 /nfs/dbraw/zinc/28/48/24/1125284824.db2.gz IWGRLOHWTZRJFL-KHUIQGCPSA-N 2 1 357.501 4.331 20 30 FIEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000602515982 567986620 /nfs/dbraw/zinc/98/66/20/567986620.db2.gz UUPYCGPNERJIQR-UXHICEINSA-N 2 1 369.553 4.107 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000092587698 1083444891 /nfs/dbraw/zinc/44/48/91/1083444891.db2.gz XTXCQICLCYMPRO-JOCHJYFZSA-N 2 1 369.553 4.313 20 30 FIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)CC1 ZINC000092587698 1083444899 /nfs/dbraw/zinc/44/48/99/1083444899.db2.gz XTXCQICLCYMPRO-JOCHJYFZSA-N 2 1 369.553 4.313 20 30 FIEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809089 1083697367 /nfs/dbraw/zinc/69/73/67/1083697367.db2.gz FNFMJXVTSFOOPJ-TZIWHRDSSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809089 1083697376 /nfs/dbraw/zinc/69/73/76/1083697376.db2.gz FNFMJXVTSFOOPJ-TZIWHRDSSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000535809089 1083697379 /nfs/dbraw/zinc/69/73/79/1083697379.db2.gz FNFMJXVTSFOOPJ-TZIWHRDSSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000535809089 1083697385 /nfs/dbraw/zinc/69/73/85/1083697385.db2.gz FNFMJXVTSFOOPJ-TZIWHRDSSA-N 2 1 370.537 4.099 20 30 FIEDMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCCCC#N)CC1 ZINC000159350531 1085164871 /nfs/dbraw/zinc/16/48/71/1085164871.db2.gz KGHRXPOBILRWMW-UHFFFAOYSA-N 2 1 353.432 4.295 20 30 FIEDMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCCC#N)CC1 ZINC000159350531 1085164876 /nfs/dbraw/zinc/16/48/76/1085164876.db2.gz KGHRXPOBILRWMW-UHFFFAOYSA-N 2 1 353.432 4.295 20 30 FIEDMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCCC#N)CC1 ZINC000159350531 1085164882 /nfs/dbraw/zinc/16/48/82/1085164882.db2.gz KGHRXPOBILRWMW-UHFFFAOYSA-N 2 1 353.432 4.295 20 30 FIEDMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000651699304 1085388036 /nfs/dbraw/zinc/38/80/36/1085388036.db2.gz OVKXSMMSKUCMQW-CTNGQTDRSA-N 2 1 372.553 4.011 20 30 FIEDMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329409148 1094887573 /nfs/dbraw/zinc/88/75/73/1094887573.db2.gz BEQBXZHYOHHBPZ-GOSISDBHSA-N 2 1 372.557 4.324 20 30 FIEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000522568879 1095143138 /nfs/dbraw/zinc/14/31/38/1095143138.db2.gz NFSWMFTVUDUHRY-UHFFFAOYSA-N 2 1 360.299 4.450 20 30 FIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C1 ZINC000421331340 1095528386 /nfs/dbraw/zinc/52/83/86/1095528386.db2.gz JNZDSKJVUSZXFV-KRWDZBQOSA-N 2 1 351.469 4.219 20 30 FIEDMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CC1 ZINC000533308956 1098944657 /nfs/dbraw/zinc/94/46/57/1098944657.db2.gz SMLXQNSDSUVUIR-UHFFFAOYSA-N 2 1 351.469 4.219 20 30 FIEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502143 1101248918 /nfs/dbraw/zinc/24/89/18/1101248918.db2.gz QQZOZFLIGXXMNL-JAXLGGSGSA-N 2 1 356.554 4.106 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631742 1101595919 /nfs/dbraw/zinc/59/59/19/1101595919.db2.gz VRRXRSOHNILPKP-MSOLQXFVSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OCC#N)cc1 ZINC000181631742 1101595932 /nfs/dbraw/zinc/59/59/32/1101595932.db2.gz VRRXRSOHNILPKP-MSOLQXFVSA-N 2 1 369.534 4.213 20 30 FIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181762458 1101599283 /nfs/dbraw/zinc/59/92/83/1101599283.db2.gz HHBUFQTVFTXFPL-RTBURBONSA-N 2 1 363.505 4.465 20 30 FIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181762411 1101600034 /nfs/dbraw/zinc/60/00/34/1101600034.db2.gz HHBUFQTVFTXFPL-OALUTQOASA-N 2 1 363.505 4.465 20 30 FIEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000610271128 1101644612 /nfs/dbraw/zinc/64/46/12/1101644612.db2.gz SODRQZXSMIYQFB-UHFFFAOYSA-N 2 1 374.488 4.212 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000537407506 1101754005 /nfs/dbraw/zinc/75/40/05/1101754005.db2.gz RMHZDMRLWXDKQA-CYBMUJFWSA-N 2 1 352.388 4.181 20 30 FIEDMP N#Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000551811321 1103691703 /nfs/dbraw/zinc/69/17/03/1103691703.db2.gz CQYGRIJRZRBODE-WBDAEOGXSA-N 2 1 357.501 4.333 20 30 FIEDMP N#Cc1cccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC000551811321 1103691713 /nfs/dbraw/zinc/69/17/13/1103691713.db2.gz CQYGRIJRZRBODE-WBDAEOGXSA-N 2 1 357.501 4.333 20 30 FIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453297012 1108373497 /nfs/dbraw/zinc/37/34/97/1108373497.db2.gz VOFYXCGHMWNBIQ-YRFMLNNJSA-N 2 1 351.538 4.349 20 30 FIEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489633809 1114147367 /nfs/dbraw/zinc/14/73/67/1114147367.db2.gz LCPNZPHZOUIBEM-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489633809 1114147369 /nfs/dbraw/zinc/14/73/69/1114147369.db2.gz LCPNZPHZOUIBEM-UHFFFAOYSA-N 2 1 351.469 4.041 20 30 FIEDMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000590653531 1114960013 /nfs/dbraw/zinc/96/00/13/1114960013.db2.gz BHVAXNARXMNJBQ-KRWDZBQOSA-N 2 1 367.924 4.397 20 30 FIEDMP C[N@@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000573807366 1115183381 /nfs/dbraw/zinc/18/33/81/1115183381.db2.gz AVJQUVQJFMNRLJ-FGZHOGPDSA-N 2 1 365.546 4.217 20 30 FIEDMP C[N@H+]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000573807366 1115183384 /nfs/dbraw/zinc/18/33/84/1115183384.db2.gz AVJQUVQJFMNRLJ-FGZHOGPDSA-N 2 1 365.546 4.217 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280369 /nfs/dbraw/zinc/28/03/69/1115280369.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280372 /nfs/dbraw/zinc/28/03/72/1115280372.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280380 /nfs/dbraw/zinc/28/03/80/1115280380.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3C)C2)s1 ZINC000593031377 1115280384 /nfs/dbraw/zinc/28/03/84/1115280384.db2.gz VBBWFLLNSAOQQB-IBGZPJMESA-N 2 1 353.535 4.191 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000594495816 1115450303 /nfs/dbraw/zinc/45/03/03/1115450303.db2.gz CTALRZGVMPJMDD-UHFFFAOYSA-N 2 1 362.452 4.411 20 30 FIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942702 1115501286 /nfs/dbraw/zinc/50/12/86/1115501286.db2.gz ZIZHRIZWGDSUDL-CVDCTZTESA-N 2 1 359.517 4.242 20 30 FIEDMP N#Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999645 1115506621 /nfs/dbraw/zinc/50/66/21/1115506621.db2.gz FCXUTPWYIFRUOG-LJQANCHMSA-N 2 1 351.519 4.012 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001170 1115506637 /nfs/dbraw/zinc/50/66/37/1115506637.db2.gz RFBUKRRMYVEBKH-SFHVURJKSA-N 2 1 351.519 4.012 20 30 FIEDMP CC1(C#N)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595000085 1115506772 /nfs/dbraw/zinc/50/67/72/1115506772.db2.gz IOPKZZHXBGLCQK-HWELCPFYSA-N 2 1 351.538 4.351 20 30 FIEDMP N#Cc1ccc(F)cc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534227668 1116173909 /nfs/dbraw/zinc/17/39/09/1116173909.db2.gz CGDHIWQPGDTVHF-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#Cc1ccc(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534227668 1116173910 /nfs/dbraw/zinc/17/39/10/1116173910.db2.gz CGDHIWQPGDTVHF-UHFFFAOYSA-N 2 1 363.480 4.185 20 30 FIEDMP N#CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000542279976 1118878892 /nfs/dbraw/zinc/87/88/92/1118878892.db2.gz FCAUCQDAAYWYSX-DEOSSOPVSA-N 2 1 359.517 4.241 20 30 FIEDMP N#CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000542279976 1118878900 /nfs/dbraw/zinc/87/89/00/1118878900.db2.gz FCAUCQDAAYWYSX-DEOSSOPVSA-N 2 1 359.517 4.241 20 30 FIEDMP N#CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000542279976 1118878908 /nfs/dbraw/zinc/87/89/08/1118878908.db2.gz FCAUCQDAAYWYSX-DEOSSOPVSA-N 2 1 359.517 4.241 20 30 FIEDMP C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183102496 1119566163 /nfs/dbraw/zinc/56/61/63/1119566163.db2.gz CKLCCKDTBSEIFG-AZUAARDMSA-N 2 1 372.553 4.393 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173327 1123402683 /nfs/dbraw/zinc/40/26/83/1123402683.db2.gz CFXLRAKSZWHQDX-OPHWXPLVSA-N 2 1 365.521 4.493 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920173327 1123402686 /nfs/dbraw/zinc/40/26/86/1123402686.db2.gz CFXLRAKSZWHQDX-OPHWXPLVSA-N 2 1 365.521 4.493 20 30 FIEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000237615883 1123998846 /nfs/dbraw/zinc/99/88/46/1123998846.db2.gz BAMUPKQLVPHGPY-UHFFFAOYSA-N 2 1 365.521 4.017 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000152933274 1125693195 /nfs/dbraw/zinc/69/31/95/1125693195.db2.gz WYCZOYONUMUCKS-AWEZNQCLSA-N 2 1 367.331 4.149 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000152936737 1125694479 /nfs/dbraw/zinc/69/44/79/1125694479.db2.gz QFWQXMBMVRRTFT-GOSISDBHSA-N 2 1 372.557 4.251 20 30 FIEDMP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200489 1083546405 /nfs/dbraw/zinc/54/64/05/1083546405.db2.gz RFFBDLNTZKSWKA-HMXCVIKNSA-N 2 1 351.519 4.010 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(C#N)cc1F ZINC000512659625 1093095113 /nfs/dbraw/zinc/09/51/13/1093095113.db2.gz ISXKQVLRUMWGFJ-RDJZCZTQSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017490 1093151221 /nfs/dbraw/zinc/15/12/21/1093151221.db2.gz ARPHGACTKRXDHC-UPHUGPLXSA-N 2 1 351.469 4.229 20 30 FIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017490 1093151224 /nfs/dbraw/zinc/15/12/24/1093151224.db2.gz ARPHGACTKRXDHC-UPHUGPLXSA-N 2 1 351.469 4.229 20 30 FIEDMP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417709 1094106449 /nfs/dbraw/zinc/10/64/49/1094106449.db2.gz YJKFVGVGDQKYRV-JOCHJYFZSA-N 2 1 369.553 4.457 20 30 FIEDMP N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417709 1094106451 /nfs/dbraw/zinc/10/64/51/1094106451.db2.gz YJKFVGVGDQKYRV-JOCHJYFZSA-N 2 1 369.553 4.457 20 30 FIEDMP C[C@@H]1C[C@@H]([NH+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040372 1094504233 /nfs/dbraw/zinc/50/42/33/1094504233.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@@H]1C[C@@H]([NH+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040372 1094504236 /nfs/dbraw/zinc/50/42/36/1094504236.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040372 1094504238 /nfs/dbraw/zinc/50/42/38/1094504238.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040372 1094504240 /nfs/dbraw/zinc/50/42/40/1094504240.db2.gz LUPSROXGFDBSBT-NHKMSHSESA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421335510 1095550419 /nfs/dbraw/zinc/55/04/19/1095550419.db2.gz SPNXBTCCSFGRQU-QGZVFWFLSA-N 2 1 351.469 4.219 20 30 FIEDMP C=C(C)[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423053672 1096566744 /nfs/dbraw/zinc/56/67/44/1096566744.db2.gz SGDDFIWXPONZBT-ILWGZMRPSA-N 2 1 370.443 4.428 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408368 1101753708 /nfs/dbraw/zinc/75/37/08/1101753708.db2.gz WPSCZUAPILIBLA-PNLZDCPESA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408368 1101753719 /nfs/dbraw/zinc/75/37/19/1101753719.db2.gz WPSCZUAPILIBLA-PNLZDCPESA-N 2 1 351.469 4.259 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000537407511 1101754300 /nfs/dbraw/zinc/75/43/00/1101754300.db2.gz RMHZDMRLWXDKQA-ZDUSSCGKSA-N 2 1 352.388 4.181 20 30 FIEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1OC ZINC000060950203 1102610039 /nfs/dbraw/zinc/61/00/39/1102610039.db2.gz DLRKUJJLWGTOOE-UHFFFAOYSA-N 2 1 372.553 4.394 20 30 FIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1cccs1 ZINC000262510009 1107438718 /nfs/dbraw/zinc/43/87/18/1107438718.db2.gz CUOZJVURGHFUNI-XLIONFOSSA-N 2 1 368.550 4.047 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453209383 1108279567 /nfs/dbraw/zinc/27/95/67/1108279567.db2.gz IEVATKAVPZCQGQ-WVGDURHJSA-N 2 1 351.538 4.349 20 30 FIEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000623404165 1110313210 /nfs/dbraw/zinc/31/32/10/1110313210.db2.gz RZZSKRYNGDWQIV-INIZCTEOSA-N 2 1 366.933 4.123 20 30 FIEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000623404165 1110313211 /nfs/dbraw/zinc/31/32/11/1110313211.db2.gz RZZSKRYNGDWQIV-INIZCTEOSA-N 2 1 366.933 4.123 20 30 FIEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000552273831 1111655490 /nfs/dbraw/zinc/65/54/90/1111655490.db2.gz UGVVMILRKROTEK-UHFFFAOYSA-N 2 1 351.519 4.108 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000174271973 1116125403 /nfs/dbraw/zinc/12/54/03/1116125403.db2.gz WHUCJYDKVGSVRC-SFHVURJKSA-N 2 1 363.505 4.089 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708488 1118195766 /nfs/dbraw/zinc/19/57/66/1118195766.db2.gz XXXGNRIGJUKYBI-JKSUJKDBSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708488 1118195769 /nfs/dbraw/zinc/19/57/69/1118195769.db2.gz XXXGNRIGJUKYBI-JKSUJKDBSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101326 1119565938 /nfs/dbraw/zinc/56/59/38/1119565938.db2.gz LFFCNADOJMSPHL-UYAOXDASSA-N 2 1 355.526 4.112 20 30 FIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435680 1120809331 /nfs/dbraw/zinc/80/93/31/1120809331.db2.gz ZDABGQVBKLPEGA-FIKGOQFSSA-N 2 1 351.469 4.259 20 30 FIEDMP N#Cc1cccc(COc2cccc(C[NH2+]CCC[NH+]3CCCCC3)c2)c1 ZINC000237848621 1124131035 /nfs/dbraw/zinc/13/10/35/1124131035.db2.gz LEMKWIULOQETLV-UHFFFAOYSA-N 2 1 363.505 4.103 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)CC1 ZINC000182870231 1125665221 /nfs/dbraw/zinc/66/52/21/1125665221.db2.gz IRBJKBFDQXGFLK-LJQANCHMSA-N 3 1 373.585 4.228 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000152951220 1125700649 /nfs/dbraw/zinc/70/06/49/1125700649.db2.gz AEHNMZPVCZXSEI-ZDUSSCGKSA-N 2 1 355.295 4.279 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247477558 1083328244 /nfs/dbraw/zinc/32/82/44/1083328244.db2.gz UBWWEEWYEAQRSZ-CEXWTWQISA-N 2 1 363.505 4.018 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588145 1084902355 /nfs/dbraw/zinc/90/23/55/1084902355.db2.gz VGAJDNHNHNKXFQ-PXNSSMCTSA-N 2 1 351.469 4.260 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588145 1084902358 /nfs/dbraw/zinc/90/23/58/1084902358.db2.gz VGAJDNHNHNKXFQ-PXNSSMCTSA-N 2 1 351.469 4.260 20 30 FIEDMP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1 ZINC000651699305 1085388408 /nfs/dbraw/zinc/38/84/08/1085388408.db2.gz OVKXSMMSKUCMQW-FPOVZHCZSA-N 2 1 372.553 4.011 20 30 FIEDMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1cccc(C#N)c1 ZINC001167709788 1088505673 /nfs/dbraw/zinc/50/56/73/1088505673.db2.gz DCWRNJRDGOPXEW-JXFKEZNVSA-N 2 1 359.477 4.396 20 30 FIEDMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614183079 1093081096 /nfs/dbraw/zinc/08/10/96/1093081096.db2.gz WLKRNJVRPKUVGQ-SIKLNZKXSA-N 2 1 361.533 4.488 20 30 FIEDMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329217090 1094783796 /nfs/dbraw/zinc/78/37/96/1094783796.db2.gz POLCHRVKFZMCPU-MOPGFXCFSA-N 2 1 372.557 4.324 20 30 FIEDMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329217090 1094783812 /nfs/dbraw/zinc/78/38/12/1094783812.db2.gz POLCHRVKFZMCPU-MOPGFXCFSA-N 2 1 372.557 4.324 20 30 FIEDMP CCC(CC)C[N@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513728983 1095095284 /nfs/dbraw/zinc/09/52/84/1095095284.db2.gz LIGUQZNHMPFAMH-UHFFFAOYSA-N 2 1 370.585 4.369 20 30 FIEDMP CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513728983 1095095297 /nfs/dbraw/zinc/09/52/97/1095095297.db2.gz LIGUQZNHMPFAMH-UHFFFAOYSA-N 2 1 370.585 4.369 20 30 FIEDMP C[C@@H]1C[C@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000281938808 1095761823 /nfs/dbraw/zinc/76/18/23/1095761823.db2.gz IRPTVRYPGDDSEG-IFMALSPDSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@H]([NH+](C)CCCC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000281938808 1095761837 /nfs/dbraw/zinc/76/18/37/1095761837.db2.gz IRPTVRYPGDDSEG-IFMALSPDSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938808 1095761853 /nfs/dbraw/zinc/76/18/53/1095761853.db2.gz IRPTVRYPGDDSEG-IFMALSPDSA-N 2 1 369.553 4.072 20 30 FIEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000281938808 1095761866 /nfs/dbraw/zinc/76/18/66/1095761866.db2.gz IRPTVRYPGDDSEG-IFMALSPDSA-N 2 1 369.553 4.072 20 30 FIEDMP N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000536676782 1100169431 /nfs/dbraw/zinc/16/94/31/1100169431.db2.gz NVPOSHWOZNKMST-NRFANRHFSA-N 2 1 351.519 4.108 20 30 FIEDMP C=CCc1cc(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)cc(OC)c1O ZINC000506862054 1102924654 /nfs/dbraw/zinc/92/46/54/1102924654.db2.gz ODTDKFVYJCDWAZ-UHFFFAOYSA-N 2 1 360.542 4.073 20 30 FIEDMP CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020553 1108090461 /nfs/dbraw/zinc/09/04/61/1108090461.db2.gz PPMVKPLAACXVEN-IFMALSPDSA-N 2 1 364.537 4.053 20 30 FIEDMP CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020553 1108090478 /nfs/dbraw/zinc/09/04/78/1108090478.db2.gz PPMVKPLAACXVEN-IFMALSPDSA-N 2 1 364.537 4.053 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000532231095 1108724930 /nfs/dbraw/zinc/72/49/30/1108724930.db2.gz RGRCSQBPTLHNRC-GOSISDBHSA-N 2 1 357.542 4.157 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367449 1115280106 /nfs/dbraw/zinc/28/01/06/1115280106.db2.gz VHMJHIKIGZUCEO-JTHBVZDNSA-N 2 1 357.501 4.332 20 30 FIEDMP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592367449 1115280109 /nfs/dbraw/zinc/28/01/09/1115280109.db2.gz VHMJHIKIGZUCEO-JTHBVZDNSA-N 2 1 357.501 4.332 20 30 FIEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000594494324 1115450102 /nfs/dbraw/zinc/45/01/02/1115450102.db2.gz FJANJZUVFYFDCH-UHFFFAOYSA-N 2 1 361.533 4.284 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594923760 1115490808 /nfs/dbraw/zinc/49/08/08/1115490808.db2.gz FSTXXBSSJJZNGE-UHFFFAOYSA-N 2 1 359.517 4.304 20 30 FIEDMP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000597014985 1115636198 /nfs/dbraw/zinc/63/61/98/1115636198.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 2 1 359.517 4.196 20 30 FIEDMP C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597014985 1115636199 /nfs/dbraw/zinc/63/61/99/1115636199.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 2 1 359.517 4.196 20 30 FIEDMP C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597014985 1115636200 /nfs/dbraw/zinc/63/62/00/1115636200.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 2 1 359.517 4.196 20 30 FIEDMP N#CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000542279981 1118878981 /nfs/dbraw/zinc/87/89/81/1118878981.db2.gz FCAUCQDAAYWYSX-XMMPIXPASA-N 2 1 359.517 4.241 20 30 FIEDMP N#CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000542279981 1118878988 /nfs/dbraw/zinc/87/89/88/1118878988.db2.gz FCAUCQDAAYWYSX-XMMPIXPASA-N 2 1 359.517 4.241 20 30 FIEDMP N#CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000542279981 1118878995 /nfs/dbraw/zinc/87/89/95/1118878995.db2.gz FCAUCQDAAYWYSX-XMMPIXPASA-N 2 1 359.517 4.241 20 30 FIEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311954036 1119396576 /nfs/dbraw/zinc/39/65/76/1119396576.db2.gz MDDWEJDNYWHUEF-KNQAVFIVSA-N 2 1 350.506 4.252 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494070954 1119537418 /nfs/dbraw/zinc/53/74/18/1119537418.db2.gz ZKUFFWMKKGINDT-UHFFFAOYSA-N 2 1 357.723 4.233 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(Br)c2C)CC1 ZINC001649106538 1121835756 /nfs/dbraw/zinc/83/57/56/1121835756.db2.gz KIFUMRYVJBLSRQ-UHFFFAOYSA-N 2 1 351.332 4.196 20 30 FIEDMP CCCCCCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001125287434 1079861077 /nfs/dbraw/zinc/86/10/77/1079861077.db2.gz ROINSWUTUWHDEX-GOSISDBHSA-N 2 1 360.546 4.159 20 30 FIEDMP C=CCCCCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209442378 1080698994 /nfs/dbraw/zinc/69/89/94/1080698994.db2.gz HDKXHCBYYHAVMQ-UHFFFAOYSA-N 2 1 358.574 4.254 20 30 FIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176948721 1081171044 /nfs/dbraw/zinc/17/10/44/1081171044.db2.gz KZBNLIITFRXALN-CALCHBBNSA-N 2 1 353.535 4.387 20 30 FIEDMP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000134549446 1082705414 /nfs/dbraw/zinc/70/54/14/1082705414.db2.gz FALUZELIICVDKI-DNVCBOLYSA-N 2 1 374.891 4.207 20 30 FIEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809086 1083696211 /nfs/dbraw/zinc/69/62/11/1083696211.db2.gz FNFMJXVTSFOOPJ-CTNGQTDRSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809086 1083696218 /nfs/dbraw/zinc/69/62/18/1083696218.db2.gz FNFMJXVTSFOOPJ-CTNGQTDRSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000535809086 1083696224 /nfs/dbraw/zinc/69/62/24/1083696224.db2.gz FNFMJXVTSFOOPJ-CTNGQTDRSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000535809086 1083696233 /nfs/dbraw/zinc/69/62/33/1083696233.db2.gz FNFMJXVTSFOOPJ-CTNGQTDRSA-N 2 1 370.537 4.099 20 30 FIEDMP CC[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC001167499302 1084022759 /nfs/dbraw/zinc/02/27/59/1084022759.db2.gz GAIVPVZBZFGWJY-UHFFFAOYSA-N 2 1 368.912 4.345 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693442 1085400556 /nfs/dbraw/zinc/40/05/56/1085400556.db2.gz ZTMZUNWGIRAMLZ-MJGOQNOKSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693442 1085400562 /nfs/dbraw/zinc/40/05/62/1085400562.db2.gz ZTMZUNWGIRAMLZ-MJGOQNOKSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693442 1085400567 /nfs/dbraw/zinc/40/05/67/1085400567.db2.gz ZTMZUNWGIRAMLZ-MJGOQNOKSA-N 2 1 353.535 4.443 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3cccc(C#N)c3)C2)s1 ZINC000582693442 1085400571 /nfs/dbraw/zinc/40/05/71/1085400571.db2.gz ZTMZUNWGIRAMLZ-MJGOQNOKSA-N 2 1 353.535 4.443 20 30 FIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614191606 1093118654 /nfs/dbraw/zinc/11/86/54/1093118654.db2.gz VYOCWYIETTUWPL-AUSIDOKSSA-N 2 1 361.533 4.488 20 30 FIEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043939 1094449429 /nfs/dbraw/zinc/44/94/29/1094449429.db2.gz FCYWAWDGTAMJKY-UHFFFAOYSA-N 2 1 362.521 4.231 20 30 FIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421335508 1095549728 /nfs/dbraw/zinc/54/97/28/1095549728.db2.gz SPNXBTCCSFGRQU-KRWDZBQOSA-N 2 1 351.469 4.219 20 30 FIEDMP Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330351641 1095560223 /nfs/dbraw/zinc/56/02/23/1095560223.db2.gz MNNNHYALYCHPAG-PSBWJHGTSA-N 2 1 372.557 4.241 20 30 FIEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000330351641 1095560238 /nfs/dbraw/zinc/56/02/38/1095560238.db2.gz MNNNHYALYCHPAG-PSBWJHGTSA-N 2 1 372.557 4.241 20 30 FIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1Cl ZINC000439444450 1101444439 /nfs/dbraw/zinc/44/44/39/1101444439.db2.gz UUMQPZMZKGQUPG-UHFFFAOYSA-N 2 1 368.912 4.345 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537407346 1101752478 /nfs/dbraw/zinc/75/24/78/1101752478.db2.gz OWCDEAZZHXTETK-KRWDZBQOSA-N 2 1 351.469 4.321 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404601 1105250193 /nfs/dbraw/zinc/25/01/93/1105250193.db2.gz UWMDLDGSBNZXIH-FQEVSTJZSA-N 2 1 353.554 4.432 20 30 FIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404601 1105250197 /nfs/dbraw/zinc/25/01/97/1105250197.db2.gz UWMDLDGSBNZXIH-FQEVSTJZSA-N 2 1 353.554 4.432 20 30 FIEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067276 1107149935 /nfs/dbraw/zinc/14/99/35/1107149935.db2.gz BZGVFEQXXRKPOV-URXFXBBRSA-N 2 1 373.544 4.302 20 30 FIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1cccs1 ZINC000262510008 1107439382 /nfs/dbraw/zinc/43/93/82/1107439382.db2.gz CUOZJVURGHFUNI-PXNSSMCTSA-N 2 1 368.550 4.047 20 30 FIEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444689011 1108091041 /nfs/dbraw/zinc/09/10/41/1108091041.db2.gz DXGYRPYJTRZGMI-HSZRJFAPSA-N 2 1 361.533 4.302 20 30 FIEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000623404166 1110313169 /nfs/dbraw/zinc/31/31/69/1110313169.db2.gz RZZSKRYNGDWQIV-MRXNPFEDSA-N 2 1 366.933 4.123 20 30 FIEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000623404166 1110313170 /nfs/dbraw/zinc/31/31/70/1110313170.db2.gz RZZSKRYNGDWQIV-MRXNPFEDSA-N 2 1 366.933 4.123 20 30 FIEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000594942093 1115501398 /nfs/dbraw/zinc/50/13/98/1115501398.db2.gz WMOVSNUNDAPCIG-WMZHIEFXSA-N 2 1 359.517 4.384 20 30 FIEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000594942093 1115501400 /nfs/dbraw/zinc/50/14/00/1115501400.db2.gz WMOVSNUNDAPCIG-WMZHIEFXSA-N 2 1 359.517 4.384 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001169 1115506549 /nfs/dbraw/zinc/50/65/49/1115506549.db2.gz RFBUKRRMYVEBKH-GOSISDBHSA-N 2 1 351.519 4.012 20 30 FIEDMP C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC ZINC000183102540 1119566070 /nfs/dbraw/zinc/56/60/70/1119566070.db2.gz CKLCCKDTBSEIFG-ICSRJNTNSA-N 2 1 372.553 4.393 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000153058497 1119853638 /nfs/dbraw/zinc/85/36/38/1119853638.db2.gz IMZOKJIMGXTGOW-AWEZNQCLSA-N 2 1 369.322 4.149 20 30 FIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233740 1122750412 /nfs/dbraw/zinc/75/04/12/1122750412.db2.gz QJZFRMYOQNLWDY-DHIUTWEWSA-N 2 1 368.565 4.250 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181523535 1124999923 /nfs/dbraw/zinc/99/99/23/1124999923.db2.gz KCGSPUNLGZXLHT-LJQANCHMSA-N 2 1 363.505 4.213 20 30 FIEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619755086 1125680583 /nfs/dbraw/zinc/68/05/83/1125680583.db2.gz SQSIGQZOWQFTFN-UZLBHIALSA-N 2 1 353.897 4.212 20 30 FIEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000237730717 1085845741 /nfs/dbraw/zinc/84/57/41/1085845741.db2.gz LSRKJAKQJDZYJI-UHFFFAOYSA-N 2 1 362.517 4.151 20 30 FIEDMP N#Cc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)c(C(F)(F)F)c1 ZINC000583663016 1086905968 /nfs/dbraw/zinc/90/59/68/1086905968.db2.gz IRPRQYCNYBTZBK-UHFFFAOYSA-N 2 1 374.341 4.192 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000442864133 1092808242 /nfs/dbraw/zinc/80/82/42/1092808242.db2.gz BUEILFAPDGVHGA-QTTFNEAQSA-N 2 1 351.538 4.207 20 30 FIEDMP COc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840048 /nfs/dbraw/zinc/84/00/48/1092840048.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 1 363.505 4.052 20 30 FIEDMP COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000442885735 1092840058 /nfs/dbraw/zinc/84/00/58/1092840058.db2.gz OCUQFOUBZVUDKZ-XMSQKQJNSA-N 2 1 363.505 4.052 20 30 FIEDMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000329438531 1094905798 /nfs/dbraw/zinc/90/57/98/1094905798.db2.gz KIIJAUQKLGPSMP-MJGOQNOKSA-N 2 1 372.557 4.182 20 30 FIEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533448715 1099059013 /nfs/dbraw/zinc/05/90/13/1099059013.db2.gz OIRUYHSGNFTROM-KRWDZBQOSA-N 2 1 351.469 4.362 20 30 FIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533448715 1099059023 /nfs/dbraw/zinc/05/90/23/1099059023.db2.gz OIRUYHSGNFTROM-KRWDZBQOSA-N 2 1 351.469 4.362 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000116367400 1102555042 /nfs/dbraw/zinc/55/50/42/1102555042.db2.gz OPEKOLAFWGQXPR-RTBURBONSA-N 2 1 363.505 4.293 20 30 FIEDMP C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000427026340 1103176658 /nfs/dbraw/zinc/17/66/58/1103176658.db2.gz JAYMWKYHRHGXQD-UHFFFAOYSA-N 2 1 352.909 4.288 20 30 FIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000594921461 1115490100 /nfs/dbraw/zinc/49/01/00/1115490100.db2.gz KTRRSAINJOHJSJ-GHTZIAJQSA-N 2 1 365.546 4.476 20 30 FIEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000594921461 1115490102 /nfs/dbraw/zinc/49/01/02/1115490102.db2.gz KTRRSAINJOHJSJ-GHTZIAJQSA-N 2 1 365.546 4.476 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000594928923 1115490497 /nfs/dbraw/zinc/49/04/97/1115490497.db2.gz WXORMYXIJNQDEI-IBGZPJMESA-N 2 1 365.546 4.305 20 30 FIEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2)CC1 ZINC000594928923 1115490500 /nfs/dbraw/zinc/49/05/00/1115490500.db2.gz WXORMYXIJNQDEI-IBGZPJMESA-N 2 1 365.546 4.305 20 30 FIEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000594999698 1115506952 /nfs/dbraw/zinc/50/69/52/1115506952.db2.gz GWAAIVJLPDWUNO-NRFANRHFSA-N 2 1 363.480 4.089 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708486 1118195890 /nfs/dbraw/zinc/19/58/90/1118195890.db2.gz XXXGNRIGJUKYBI-HOTGVXAUSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000540708486 1118195893 /nfs/dbraw/zinc/19/58/93/1118195893.db2.gz XXXGNRIGJUKYBI-HOTGVXAUSA-N 2 1 357.498 4.322 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495435681 1120809803 /nfs/dbraw/zinc/80/98/03/1120809803.db2.gz ZDABGQVBKLPEGA-FVJLSDCUSA-N 2 1 351.469 4.259 20 30 FIEDMP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC000301079709 1124189448 /nfs/dbraw/zinc/18/94/48/1124189448.db2.gz LYRDSWSZSWIWAT-UHFFFAOYSA-N 2 1 356.473 4.127 20 30 FIEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3csc(C#N)c3)cc2)CC1 ZINC000921908785 1124955723 /nfs/dbraw/zinc/95/57/23/1124955723.db2.gz NPPNEMAPPVDPMI-UHFFFAOYSA-N 2 1 354.523 4.010 20 30 FIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181523519 1124999840 /nfs/dbraw/zinc/99/98/40/1124999840.db2.gz KCGSPUNLGZXLHT-IBGZPJMESA-N 2 1 363.505 4.213 20 30 FIEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000568375997 568035276 /nfs/dbraw/zinc/03/52/76/568035276.db2.gz YEEAARSPXKORAH-LJQANCHMSA-N 2 1 368.569 4.017 20 30 FIEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000568375997 568035278 /nfs/dbraw/zinc/03/52/78/568035278.db2.gz YEEAARSPXKORAH-LJQANCHMSA-N 2 1 368.569 4.017 20 30 FIEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000728712132 1089800801 /nfs/dbraw/zinc/80/08/01/1089800801.db2.gz VBTUNLBLLUTDRX-GOSISDBHSA-N 2 1 355.526 4.112 20 30 FIEDMP C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000329699647 1095150525 /nfs/dbraw/zinc/15/05/25/1095150525.db2.gz GFNUZWMEGQNVLK-QFBILLFUSA-N 2 1 370.541 4.100 20 30 FIEDMP N#CCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420972950 1095218591 /nfs/dbraw/zinc/21/85/91/1095218591.db2.gz MQIHQIUMLGAYRQ-HSZRJFAPSA-N 2 1 363.505 4.044 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408367 1101754977 /nfs/dbraw/zinc/75/49/77/1101754977.db2.gz WPSCZUAPILIBLA-JLHGSKIFSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408367 1101754983 /nfs/dbraw/zinc/75/49/83/1101754983.db2.gz WPSCZUAPILIBLA-JLHGSKIFSA-N 2 1 351.469 4.259 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000237490115 1103096833 /nfs/dbraw/zinc/09/68/33/1103096833.db2.gz XCHQHPRVLSGOFB-HKUYNNGSSA-N 2 1 369.534 4.041 20 30 FIEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000237490115 1103096850 /nfs/dbraw/zinc/09/68/50/1103096850.db2.gz XCHQHPRVLSGOFB-HKUYNNGSSA-N 2 1 369.534 4.041 20 30 FIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000453396066 1108528662 /nfs/dbraw/zinc/52/86/62/1108528662.db2.gz XTMZUOFVICURJQ-UHFFFAOYSA-N 2 1 351.469 4.230 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000594921462 1115489893 /nfs/dbraw/zinc/48/98/93/1115489893.db2.gz KTRRSAINJOHJSJ-NQIIRXRSSA-N 2 1 365.546 4.476 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000594921462 1115489895 /nfs/dbraw/zinc/48/98/95/1115489895.db2.gz KTRRSAINJOHJSJ-NQIIRXRSSA-N 2 1 365.546 4.476 20 30 FIEDMP C[C@@H]1C[C@@H]1C[N@@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000599611341 1115831666 /nfs/dbraw/zinc/83/16/66/1115831666.db2.gz ZDVJFASVMQWFQR-VFPNFYTQSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000599611341 1115831667 /nfs/dbraw/zinc/83/16/67/1115831667.db2.gz ZDVJFASVMQWFQR-VFPNFYTQSA-N 2 1 356.558 4.041 20 30 FIEDMP C[C@@H]1C[C@@H]1C[NH+](CCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000599611341 1115831671 /nfs/dbraw/zinc/83/16/71/1115831671.db2.gz ZDVJFASVMQWFQR-VFPNFYTQSA-N 2 1 356.558 4.041 20 30 FIEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426754 1115925990 /nfs/dbraw/zinc/92/59/90/1115925990.db2.gz RDLOHAQKWZSMRS-NRFANRHFSA-N 2 1 350.506 4.253 20 30 FIEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426754 1115925992 /nfs/dbraw/zinc/92/59/92/1115925992.db2.gz RDLOHAQKWZSMRS-NRFANRHFSA-N 2 1 350.506 4.253 20 30 FIEDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272094 1116125424 /nfs/dbraw/zinc/12/54/24/1116125424.db2.gz FNJZDXPVUGIGDB-GOSISDBHSA-N 2 1 363.505 4.231 20 30 FIEDMP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000174451262 1116134942 /nfs/dbraw/zinc/13/49/42/1116134942.db2.gz CZXGTFBHFIZKMS-UHFFFAOYSA-N 2 1 374.484 4.213 20 30 FIEDMP C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101366 1119565837 /nfs/dbraw/zinc/56/58/37/1119565837.db2.gz LFFCNADOJMSPHL-QUCCMNQESA-N 2 1 355.526 4.112 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132904297 1123379477 /nfs/dbraw/zinc/37/94/77/1123379477.db2.gz BHOXZDZALAIPJL-GOSISDBHSA-N 2 1 353.432 4.108 20 30 FIEDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847398 1125157200 /nfs/dbraw/zinc/15/72/00/1125157200.db2.gz CZYFKHYIICQOSK-OALUTQOASA-N 2 1 351.494 4.150 20 30 FIEDMP C=C(C)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@@H+](C)CC(=C)C)c21 ZINC000182629616 1125588843 /nfs/dbraw/zinc/58/88/43/1125588843.db2.gz HYSBKYFWRDCSIG-UHFFFAOYSA-N 2 1 354.494 4.267 20 30 FIEDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC001648808570 1081113415 /nfs/dbraw/zinc/11/34/15/1081113415.db2.gz UUAJKDAOFVDMLX-IRXDYDNUSA-N 2 1 353.535 4.387 20 30 FIEDMP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000134549421 1082707066 /nfs/dbraw/zinc/70/70/66/1082707066.db2.gz FALUZELIICVDKI-HNAYVOBHSA-N 2 1 374.891 4.207 20 30 FIEDMP C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809088 1083695948 /nfs/dbraw/zinc/69/59/48/1083695948.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC ZINC000535809088 1083695952 /nfs/dbraw/zinc/69/59/52/1083695952.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC ZINC000535809088 1083695956 /nfs/dbraw/zinc/69/59/56/1083695956.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 2 1 370.537 4.099 20 30 FIEDMP C=C(C)COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC ZINC000535809088 1083695960 /nfs/dbraw/zinc/69/59/60/1083695960.db2.gz FNFMJXVTSFOOPJ-PZJWPPBQSA-N 2 1 370.537 4.099 20 30 FIEDMP N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073615 1084159652 /nfs/dbraw/zinc/15/96/52/1084159652.db2.gz PYJCZISCMFOZTB-FQEVSTJZSA-N 2 1 372.472 4.240 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587485 1084874985 /nfs/dbraw/zinc/87/49/85/1084874985.db2.gz CZZLHUPBHJZUHZ-QZNHQXDQSA-N 2 1 363.480 4.088 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000611587485 1084874990 /nfs/dbraw/zinc/87/49/90/1084874990.db2.gz CZZLHUPBHJZUHZ-QZNHQXDQSA-N 2 1 363.480 4.088 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797051 1092771978 /nfs/dbraw/zinc/77/19/78/1092771978.db2.gz UVRLHXXDNSVIPF-YCEFEEMOSA-N 2 1 365.443 4.370 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797051 1092771989 /nfs/dbraw/zinc/77/19/89/1092771989.db2.gz UVRLHXXDNSVIPF-YCEFEEMOSA-N 2 1 365.443 4.370 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000442864131 1092808062 /nfs/dbraw/zinc/80/80/62/1092808062.db2.gz BUEILFAPDGVHGA-NCGMKCSASA-N 2 1 351.538 4.207 20 30 FIEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000513499203 1094172750 /nfs/dbraw/zinc/17/27/50/1094172750.db2.gz DWXHYZNJOJIAIC-YLJYHZDGSA-N 2 1 351.469 4.088 20 30 FIEDMP C[C@@H]1CC([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040377 1094504956 /nfs/dbraw/zinc/50/49/56/1094504956.db2.gz LUPSROXGFDBSBT-RTBURBONSA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@@H]1CC([N@H+]2CCc3cc(C#N)ccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040377 1094504962 /nfs/dbraw/zinc/50/49/62/1094504962.db2.gz LUPSROXGFDBSBT-RTBURBONSA-N 2 1 359.517 4.358 20 30 FIEDMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000329438529 1094905199 /nfs/dbraw/zinc/90/51/99/1094905199.db2.gz KIIJAUQKLGPSMP-IEBWSBKVSA-N 2 1 372.557 4.182 20 30 FIEDMP N#CCCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420972955 1095218163 /nfs/dbraw/zinc/21/81/63/1095218163.db2.gz MQIHQIUMLGAYRQ-QHCPKHFHSA-N 2 1 363.505 4.044 20 30 FIEDMP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414537572 1095762655 /nfs/dbraw/zinc/76/26/55/1095762655.db2.gz PKPKWZGVCOLKCD-GOSISDBHSA-N 2 1 355.551 4.187 20 30 FIEDMP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414537572 1095762673 /nfs/dbraw/zinc/76/26/73/1095762673.db2.gz PKPKWZGVCOLKCD-GOSISDBHSA-N 2 1 355.551 4.187 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000245873273 1098825647 /nfs/dbraw/zinc/82/56/47/1098825647.db2.gz JTHFBRZRUGDIOL-DJPFJPOOSA-N 2 1 369.534 4.384 20 30 FIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000245873273 1098825664 /nfs/dbraw/zinc/82/56/64/1098825664.db2.gz JTHFBRZRUGDIOL-DJPFJPOOSA-N 2 1 369.534 4.384 20 30 FIEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000536667304 1100142710 /nfs/dbraw/zinc/14/27/10/1100142710.db2.gz WTOOUDOLMZUYSM-UHFFFAOYSA-N 2 1 351.519 4.108 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000181810586 1101599000 /nfs/dbraw/zinc/59/90/00/1101599000.db2.gz JTHFBRZRUGDIOL-CDXJDZJCSA-N 2 1 369.534 4.384 20 30 FIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000181810586 1101599009 /nfs/dbraw/zinc/59/90/09/1101599009.db2.gz JTHFBRZRUGDIOL-CDXJDZJCSA-N 2 1 369.534 4.384 20 30 FIEDMP C[N@H+](CC#Cc1ccc(Cl)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843982 1103965989 /nfs/dbraw/zinc/96/59/89/1103965989.db2.gz WZJPOHNKHNVNBI-UHFFFAOYSA-N 2 1 367.924 4.325 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc1F ZINC000303866560 1107779485 /nfs/dbraw/zinc/77/94/85/1107779485.db2.gz CMSDRVWVQSZADY-UHFFFAOYSA-N 2 1 365.456 4.370 20 30 FIEDMP C=C(C)CN1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000532266094 1108737931 /nfs/dbraw/zinc/73/79/31/1108737931.db2.gz TYEWTFKJWUEZPH-UHFFFAOYSA-N 2 1 357.723 4.233 20 30 FIEDMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000553964890 1112138966 /nfs/dbraw/zinc/13/89/66/1112138966.db2.gz YWJBKIBMCOPBJV-UHFFFAOYSA-N 2 1 351.469 4.219 20 30 FIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807537 1114540417 /nfs/dbraw/zinc/54/04/17/1114540417.db2.gz WUWOWSQNCWDIGK-FQEVSTJZSA-N 2 1 353.535 4.077 20 30 FIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807537 1114540421 /nfs/dbraw/zinc/54/04/21/1114540421.db2.gz WUWOWSQNCWDIGK-FQEVSTJZSA-N 2 1 353.535 4.077 20 30 FIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807537 1114540425 /nfs/dbraw/zinc/54/04/25/1114540425.db2.gz WUWOWSQNCWDIGK-FQEVSTJZSA-N 2 1 353.535 4.077 20 30 FIEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311954038 1119396600 /nfs/dbraw/zinc/39/66/00/1119396600.db2.gz MDDWEJDNYWHUEF-SIKLNZKXSA-N 2 1 350.506 4.252 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000152977307 1119643129 /nfs/dbraw/zinc/64/31/29/1119643129.db2.gz WNXHNRKEOUBWFC-CQSZACIVSA-N 2 1 369.322 4.149 20 30 FIEDMP C[C@@H](Cc1cccc(F)c1)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474318 1120395993 /nfs/dbraw/zinc/39/59/93/1120395993.db2.gz RJMRUJAAUNUPJX-RTFZILSDSA-N 2 1 365.496 4.400 20 30 FIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921775756 1124595298 /nfs/dbraw/zinc/59/52/98/1124595298.db2.gz YZFGUMOUZIZTLI-UHFFFAOYSA-N 2 1 351.475 4.135 20 30 FIEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737090 1124807513 /nfs/dbraw/zinc/80/75/13/1124807513.db2.gz BZGVFEQXXRKPOV-XUZZJYLKSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737090 1124807519 /nfs/dbraw/zinc/80/75/19/1124807519.db2.gz BZGVFEQXXRKPOV-XUZZJYLKSA-N 2 1 373.544 4.302 20 30 FIEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737090 1124807525 /nfs/dbraw/zinc/80/75/25/1124807525.db2.gz BZGVFEQXXRKPOV-XUZZJYLKSA-N 2 1 373.544 4.302 20 30 FIEDMP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200490 1083546564 /nfs/dbraw/zinc/54/65/64/1083546564.db2.gz RFFBDLNTZKSWKA-SESVDKBCSA-N 2 1 351.519 4.010 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000611587469 1084881282 /nfs/dbraw/zinc/88/12/82/1084881282.db2.gz CZZLHUPBHJZUHZ-FUPPJEDESA-N 2 1 363.480 4.088 20 30 FIEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000611587469 1084881287 /nfs/dbraw/zinc/88/12/87/1084881287.db2.gz CZZLHUPBHJZUHZ-FUPPJEDESA-N 2 1 363.480 4.088 20 30 FIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000119805858 1085018246 /nfs/dbraw/zinc/01/82/46/1085018246.db2.gz ITSKOXCHJNZBQR-IRXDYDNUSA-N 2 1 360.461 4.322 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188192272 1086149086 /nfs/dbraw/zinc/14/90/86/1086149086.db2.gz CVFDMAHUTAHPAZ-HNNXBMFYSA-N 2 1 351.332 4.010 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432424828 1086749270 /nfs/dbraw/zinc/74/92/70/1086749270.db2.gz JYSSJGKYZAYDCZ-UHFFFAOYSA-N 2 1 363.343 4.325 20 30 FIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1C#N ZINC000480852930 1089943277 /nfs/dbraw/zinc/94/32/77/1089943277.db2.gz OTWWUSRAOYNGKY-UHFFFAOYSA-N 2 1 368.912 4.345 20 30 FIEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797047 1092771158 /nfs/dbraw/zinc/77/11/58/1092771158.db2.gz UVRLHXXDNSVIPF-RGIVZKHGSA-N 2 1 365.443 4.370 20 30 FIEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442797047 1092771165 /nfs/dbraw/zinc/77/11/65/1092771165.db2.gz UVRLHXXDNSVIPF-RGIVZKHGSA-N 2 1 365.443 4.370 20 30 FIEDMP N#CCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000399127861 1093784517 /nfs/dbraw/zinc/78/45/17/1093784517.db2.gz LOGPHNCMHLZDJE-UHFFFAOYSA-N 2 1 359.517 4.241 20 30 FIEDMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447383 1094910191 /nfs/dbraw/zinc/91/01/91/1094910191.db2.gz MDOPCBOTQSMJNF-MISYRCLQSA-N 2 1 370.541 4.077 20 30 FIEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447383 1094910193 /nfs/dbraw/zinc/91/01/93/1094910193.db2.gz MDOPCBOTQSMJNF-MISYRCLQSA-N 2 1 370.541 4.077 20 30 FIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335376 1095550971 /nfs/dbraw/zinc/55/09/71/1095550971.db2.gz SJTWDPJNMLDACB-KRWDZBQOSA-N 2 1 351.469 4.362 20 30 FIEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c(F)c1 ZINC000532987026 1098655452 /nfs/dbraw/zinc/65/54/52/1098655452.db2.gz NNWKUOUKWPURGH-UHFFFAOYSA-N 2 1 351.469 4.363 20 30 FIEDMP C=C(C)CN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438840435 1100957541 /nfs/dbraw/zinc/95/75/41/1100957541.db2.gz XGMHCKFVTOLEOW-UHFFFAOYSA-N 2 1 355.570 4.060 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438840435 1100957547 /nfs/dbraw/zinc/95/75/47/1100957547.db2.gz XGMHCKFVTOLEOW-UHFFFAOYSA-N 3 1 355.570 4.060 20 30 FIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438840435 1100957550 /nfs/dbraw/zinc/95/75/50/1100957550.db2.gz XGMHCKFVTOLEOW-UHFFFAOYSA-N 3 1 355.570 4.060 20 30 FIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453209377 1108279840 /nfs/dbraw/zinc/27/98/40/1108279840.db2.gz IEVATKAVPZCQGQ-DXEGLPQDSA-N 2 1 351.538 4.349 20 30 FIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453297007 1108372571 /nfs/dbraw/zinc/37/25/71/1108372571.db2.gz VOFYXCGHMWNBIQ-JELQSWKKSA-N 2 1 351.538 4.349 20 30 FIEDMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280784 1111658332 /nfs/dbraw/zinc/65/83/32/1111658332.db2.gz SRDXQQOACOZEAG-RTWAWAEBSA-N 2 1 354.494 4.033 20 30 FIEDMP C=CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000486488816 1113576913 /nfs/dbraw/zinc/57/69/13/1113576913.db2.gz MYQMABJXDOBSMI-DENIHFKCSA-N 2 1 350.506 4.252 20 30 FIEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504434 1115539733 /nfs/dbraw/zinc/53/97/33/1115539733.db2.gz JDIUJSORJOPHDE-XMMPIXPASA-N 2 1 373.544 4.304 20 30 FIEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504434 1115539736 /nfs/dbraw/zinc/53/97/36/1115539736.db2.gz JDIUJSORJOPHDE-XMMPIXPASA-N 2 1 373.544 4.304 20 30 FIEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504434 1115539740 /nfs/dbraw/zinc/53/97/40/1115539740.db2.gz JDIUJSORJOPHDE-XMMPIXPASA-N 2 1 373.544 4.304 20 30 FIEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595504434 1115539743 /nfs/dbraw/zinc/53/97/43/1115539743.db2.gz JDIUJSORJOPHDE-XMMPIXPASA-N 2 1 373.544 4.304 20 30 FIEDMP CC1(C)C[N@H+](Cc2ccncc2C#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593660 1115600603 /nfs/dbraw/zinc/60/06/03/1115600603.db2.gz QSBIAVHXONGKDN-QHCPKHFHSA-N 2 1 374.532 4.076 20 30 FIEDMP CC1(C)C[N@@H+](Cc2ccncc2C#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593660 1115600605 /nfs/dbraw/zinc/60/06/05/1115600605.db2.gz QSBIAVHXONGKDN-QHCPKHFHSA-N 2 1 374.532 4.076 20 30 FIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495435679 1120808915 /nfs/dbraw/zinc/80/89/15/1120808915.db2.gz ZDABGQVBKLPEGA-CSODHUTKSA-N 2 1 351.469 4.259 20 30 FIEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2ccc(C)cc2)[NH+](C)C)c(O)c1 ZINC000921261449 1123606032 /nfs/dbraw/zinc/60/60/32/1123606032.db2.gz QAMJGRVYOGCRBU-CPOKCXMASA-N 2 1 353.510 4.269 20 30 FIEDMP